Repository: haddocking/haddock3 (language: python)

Issue:
update cyclic peptides examples
## Summary of the Pull Request  

Add an additional example for cyclic peptides

## Related Issue

Closes #1056 



Discussion / hints:

Fix patch:
diff --git a/examples/docking-protein-DNA/docking-protein-DNA-cltsel-full.cfg b/examples/docking-protein-DNA/docking-protein-DNA-cltsel-full.cfg
index 7a71d2038..ae6b987b8 100644
--- a/examples/docking-protein-DNA/docking-protein-DNA-cltsel-full.cfg
+++ b/examples/docking-protein-DNA/docking-protein-DNA-cltsel-full.cfg
@@ -33,6 +33,7 @@ sampling = 1000
 epsilon = 78
 dielec = "cdie"
 randremoval = false
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
@@ -54,6 +55,7 @@ epsilon = 78
 dielec = "cdie"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
@@ -63,6 +65,7 @@ tolerance = 5
 ambig_fname = "./data/cro_air.tbl"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
diff --git a/examples/docking-protein-DNA/docking-protein-DNA-full.cfg b/examples/docking-protein-DNA/docking-protein-DNA-full.cfg
index 9db670e4a..60b705671 100644
--- a/examples/docking-protein-DNA/docking-protein-DNA-full.cfg
+++ b/examples/docking-protein-DNA/docking-protein-DNA-full.cfg
@@ -33,6 +33,7 @@ sampling = 1000
 epsilon = 78
 dielec = "cdie"
 randremoval = false
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
@@ -50,6 +51,7 @@ epsilon = 78
 dielec = "cdie"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
@@ -59,6 +61,7 @@ tolerance = 5
 ambig_fname = "./data/cro_air.tbl"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
diff --git a/examples/docking-protein-DNA/docking-protein-DNA-mdref-full.cfg b/examples/docking-protein-DNA/docking-protein-DNA-mdref-full.cfg
index 28a4f1890..dd34d88b7 100644
--- a/examples/docking-protein-DNA/docking-protein-DNA-mdref-full.cfg
+++ b/examples/docking-protein-DNA/docking-protein-DNA-mdref-full.cfg
@@ -33,6 +33,7 @@ sampling = 1000
 epsilon = 78
 dielec = "cdie"
 randremoval = false
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
@@ -50,6 +51,7 @@ epsilon = 78
 dielec = "cdie"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
@@ -59,6 +61,7 @@ tolerance = 5
 ambig_fname = "./data/cro_air.tbl"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "./data/target.pdb"
diff --git a/examples/docking-protein-surface/data/01_beads.pdb b/examples/docking-protein-surface/data/01_beads.pdb
new file mode 100644
index 000000000..da99ba81f
--- /dev/null
+++ b/examples/docking-protein-surface/data/01_beads.pdb
@@ -0,0 +1,73 @@
+ATOM      1 SHA  SHA S   1     -50.000 -50.000  -7.593  1.00  1.00           H  
+ATOM      2 SHA  SHA S   2     -50.000 -30.000  -7.593  1.00  1.00           H  
+ATOM      3 SHA  SHA S   3     -50.000 -10.000  -7.593  1.00  1.00           H  
+ATOM      4 SHA  SHA S   4     -50.000  10.000  -7.593  1.00  1.00           H  
+ATOM      5 SHA  SHA S   5     -50.000  30.000  -7.593  1.00  1.00           H  
+ATOM      6 SHA  SHA S   6     -50.000  50.000  -7.593  1.00  1.00           H  
+ATOM      7 SHA  SHA S   7     -30.000 -50.000  -7.593  1.00  1.00           H  
+ATOM      8 SHA  SHA S   8     -30.000 -30.000  -7.593  1.00  1.00           H  
+ATOM      9 SHA  SHA S   9     -30.000 -10.000  -7.593  1.00  1.00           H  
+ATOM     10 SHA  SHA S  10     -30.000  10.000  -7.593  1.00  1.00           H  
+ATOM     11 SHA  SHA S  11     -30.000  30.000  -7.593  1.00  1.00           H  
+ATOM     12 SHA  SHA S  12     -30.000  50.000  -7.593  1.00  1.00           H  
+ATOM     13 SHA  SHA S  13     -10.000 -50.000  -7.593  1.00  1.00           H  
+ATOM     14 SHA  SHA S  14     -10.000 -30.000  -7.593  1.00  1.00           H  
+ATOM     15 SHA  SHA S  15     -10.000 -10.000  -7.593  1.00  1.00           H  
+ATOM     16 SHA  SHA S  16     -10.000  10.000  -7.593  1.00  1.00           H  
+ATOM     17 SHA  SHA S  17     -10.000  30.000  -7.593  1.00  1.00           H  
+ATOM     18 SHA  SHA S  18     -10.000  50.000  -7.593  1.00  1.00           H  
+ATOM     19 SHA  SHA S  19      10.000 -50.000  -7.593  1.00  1.00           H  
+ATOM     20 SHA  SHA S  20      10.000 -30.000  -7.593  1.00  1.00           H  
+ATOM     21 SHA  SHA S  21      10.000 -10.000  -7.593  1.00  1.00           H  
+ATOM     22 SHA  SHA S  22      10.000  10.000  -7.593  1.00  1.00           H  
+ATOM     23 SHA  SHA S  23      10.000  30.000  -7.593  1.00  1.00           H  
+ATOM     24 SHA  SHA S  24      10.000  50.000  -7.593  1.00  1.00           H  
+ATOM     25 SHA  SHA S  25      30.000 -50.000  -7.593  1.00  1.00           H  
+ATOM     26 SHA  SHA S  26      30.000 -30.000  -7.593  1.00  1.00           H  
+ATOM     27 SHA  SHA S  27      30.000 -10.000  -7.593  1.00  1.00           H  
+ATOM     28 SHA  SHA S  28      30.000  10.000  -7.593  1.00  1.00           H  
+ATOM     29 SHA  SHA S  29      30.000  30.000  -7.593  1.00  1.00           H  
+ATOM     30 SHA  SHA S  30      30.000  50.000  -7.593  1.00  1.00           H  
+ATOM     31 SHA  SHA S  31      50.000 -50.000  -7.593  1.00  1.00           H  
+ATOM     32 SHA  SHA S  32      50.000 -30.000  -7.593  1.00  1.00           H  
+ATOM     33 SHA  SHA S  33      50.000 -10.000  -7.593  1.00  1.00           H  
+ATOM     34 SHA  SHA S  34      50.000  10.000  -7.593  1.00  1.00           H  
+ATOM     35 SHA  SHA S  35      50.000  30.000  -7.593  1.00  1.00           H  
+ATOM     36 SHA  SHA S  36      50.000  50.000  -7.593  1.00  1.00           H  
+ATOM     37 SHA  SHA S  37     -50.000 -50.000   7.593  1.00  1.00           H  
+ATOM     38 SHA  SHA S  38     -50.000 -30.000   7.593  1.00  1.00           H  
+ATOM     39 SHA  SHA S  39     -50.000 -10.000   7.593  1.00  1.00           H  
+ATOM     40 SHA  SHA S  40     -50.000  10.000   7.593  1.00  1.00           H  
+ATOM     41 SHA  SHA S  41     -50.000  30.000   7.593  1.00  1.00           H  
+ATOM     42 SHA  SHA S  42     -50.000  50.000   7.593  1.00  1.00           H  
+ATOM     43 SHA  SHA S  43     -30.000 -50.000   7.593  1.00  1.00           H  
+ATOM     44 SHA  SHA S  44     -30.000 -30.000   7.593  1.00  1.00           H  
+ATOM     45 SHA  SHA S  45     -30.000 -10.000   7.593  1.00  1.00           H  
+ATOM     46 SHA  SHA S  46     -30.000  10.000   7.593  1.00  1.00           H  
+ATOM     47 SHA  SHA S  47     -30.000  30.000   7.593  1.00  1.00           H  
+ATOM     48 SHA  SHA S  48     -30.000  50.000   7.593  1.00  1.00           H  
+ATOM     49 SHA  SHA S  49     -10.000 -50.000   7.593  1.00  1.00           H  
+ATOM     50 SHA  SHA S  50     -10.000 -30.000   7.593  1.00  1.00           H  
+ATOM     51 SHA  SHA S  51     -10.000 -10.000   7.593  1.00  1.00           H  
+ATOM     52 SHA  SHA S  52     -10.000  10.000   7.593  1.00  1.00           H  
+ATOM     53 SHA  SHA S  53     -10.000  30.000   7.593  1.00  1.00           H  
+ATOM     54 SHA  SHA S  54     -10.000  50.000   7.593  1.00  1.00           H  
+ATOM     55 SHA  SHA S  55      10.000 -50.000   7.593  1.00  1.00           H  
+ATOM     56 SHA  SHA S  56      10.000 -30.000   7.593  1.00  1.00           H  
+ATOM     57 SHA  SHA S  57      10.000 -10.000   7.593  1.00  1.00           H  
+ATOM     58 SHA  SHA S  58      10.000  10.000   7.593  1.00  1.00           H  
+ATOM     59 SHA  SHA S  59      10.000  30.000   7.593  1.00  1.00           H  
+ATOM     60 SHA  SHA S  60      10.000  50.000   7.593  1.00  1.00           H  
+ATOM     61 SHA  SHA S  61      30.000 -50.000   7.593  1.00  1.00           H  
+ATOM     62 SHA  SHA S  62      30.000 -30.000   7.593  1.00  1.00           H  
+ATOM     63 SHA  SHA S  63      30.000 -10.000   7.593  1.00  1.00           H  
+ATOM     64 SHA  SHA S  64      30.000  10.000   7.593  1.00  1.00           H  
+ATOM     65 SHA  SHA S  65      30.000  30.000   7.593  1.00  1.00           H  
+ATOM     66 SHA  SHA S  66      30.000  50.000   7.593  1.00  1.00           H  
+ATOM     67 SHA  SHA S  67      50.000 -50.000   7.593  1.00  1.00           H  
+ATOM     68 SHA  SHA S  68      50.000 -30.000   7.593  1.00  1.00           H  
+ATOM     69 SHA  SHA S  69      50.000 -10.000   7.593  1.00  1.00           H  
+ATOM     70 SHA  SHA S  70      50.000  10.000   7.593  1.00  1.00           H  
+ATOM     71 SHA  SHA S  71      50.000  30.000   7.593  1.00  1.00           H  
+ATOM     72 SHA  SHA S  72      50.000  50.000   7.593  1.00  1.00           H  
+END
diff --git a/examples/docking-protein-surface/data/01_z.tbl b/examples/docking-protein-surface/data/01_z.tbl
new file mode 100644
index 000000000..cd695f5b6
--- /dev/null
+++ b/examples/docking-protein-surface/data/01_z.tbl
@@ -0,0 +1,11 @@
+assign ( resid 19 and segid A and name CA ) (  segid S and name SHA and attr z le -7.593) 8.0 8.0 0.0
+
+assign ( resid 83 and segid A and name CA ) (  segid S and name SHA and attr z le -7.593) 8.0 8.0 0.0
+
+assign ( resid 145 and segid A and name CA ) (  segid S and name SHA and attr z le -7.593) 8.0 8.0 0.0
+
+assign ( resid 119 and segid A and name CA ) (  segid S and name SHA and attr z le -7.593) 8.0 8.0 0.0
+
+assign ( resid 167 and segid A and name CA ) (  segid S and name SHA and attr z le -7.593) 8.0 8.0 0.0
+
+
diff --git a/examples/docking-protein-surface/data/02_beads.pdb b/examples/docking-protein-surface/data/02_beads.pdb
new file mode 100644
index 000000000..9c198a43b
--- /dev/null
+++ b/examples/docking-protein-surface/data/02_beads.pdb
@@ -0,0 +1,73 @@
+ATOM      1 SHA  SHA S   1     -50.000 -50.000 -13.403  1.00  1.00           H  
+ATOM      2 SHA  SHA S   2     -50.000 -30.000 -13.403  1.00  1.00           H  
+ATOM      3 SHA  SHA S   3     -50.000 -10.000 -13.403  1.00  1.00           H  
+ATOM      4 SHA  SHA S   4     -50.000  10.000 -13.403  1.00  1.00           H  
+ATOM      5 SHA  SHA S   5     -50.000  30.000 -13.403  1.00  1.00           H  
+ATOM      6 SHA  SHA S   6     -50.000  50.000 -13.403  1.00  1.00           H  
+ATOM      7 SHA  SHA S   7     -30.000 -50.000 -13.403  1.00  1.00           H  
+ATOM      8 SHA  SHA S   8     -30.000 -30.000 -13.403  1.00  1.00           H  
+ATOM      9 SHA  SHA S   9     -30.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     10 SHA  SHA S  10     -30.000  10.000 -13.403  1.00  1.00           H  
+ATOM     11 SHA  SHA S  11     -30.000  30.000 -13.403  1.00  1.00           H  
+ATOM     12 SHA  SHA S  12     -30.000  50.000 -13.403  1.00  1.00           H  
+ATOM     13 SHA  SHA S  13     -10.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     14 SHA  SHA S  14     -10.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     15 SHA  SHA S  15     -10.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     16 SHA  SHA S  16     -10.000  10.000 -13.403  1.00  1.00           H  
+ATOM     17 SHA  SHA S  17     -10.000  30.000 -13.403  1.00  1.00           H  
+ATOM     18 SHA  SHA S  18     -10.000  50.000 -13.403  1.00  1.00           H  
+ATOM     19 SHA  SHA S  19      10.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     20 SHA  SHA S  20      10.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     21 SHA  SHA S  21      10.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     22 SHA  SHA S  22      10.000  10.000 -13.403  1.00  1.00           H  
+ATOM     23 SHA  SHA S  23      10.000  30.000 -13.403  1.00  1.00           H  
+ATOM     24 SHA  SHA S  24      10.000  50.000 -13.403  1.00  1.00           H  
+ATOM     25 SHA  SHA S  25      30.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     26 SHA  SHA S  26      30.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     27 SHA  SHA S  27      30.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     28 SHA  SHA S  28      30.000  10.000 -13.403  1.00  1.00           H  
+ATOM     29 SHA  SHA S  29      30.000  30.000 -13.403  1.00  1.00           H  
+ATOM     30 SHA  SHA S  30      30.000  50.000 -13.403  1.00  1.00           H  
+ATOM     31 SHA  SHA S  31      50.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     32 SHA  SHA S  32      50.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     33 SHA  SHA S  33      50.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     34 SHA  SHA S  34      50.000  10.000 -13.403  1.00  1.00           H  
+ATOM     35 SHA  SHA S  35      50.000  30.000 -13.403  1.00  1.00           H  
+ATOM     36 SHA  SHA S  36      50.000  50.000 -13.403  1.00  1.00           H  
+ATOM     37 SHA  SHA S  37     -50.000 -50.000  13.403  1.00  1.00           H  
+ATOM     38 SHA  SHA S  38     -50.000 -30.000  13.403  1.00  1.00           H  
+ATOM     39 SHA  SHA S  39     -50.000 -10.000  13.403  1.00  1.00           H  
+ATOM     40 SHA  SHA S  40     -50.000  10.000  13.403  1.00  1.00           H  
+ATOM     41 SHA  SHA S  41     -50.000  30.000  13.403  1.00  1.00           H  
+ATOM     42 SHA  SHA S  42     -50.000  50.000  13.403  1.00  1.00           H  
+ATOM     43 SHA  SHA S  43     -30.000 -50.000  13.403  1.00  1.00           H  
+ATOM     44 SHA  SHA S  44     -30.000 -30.000  13.403  1.00  1.00           H  
+ATOM     45 SHA  SHA S  45     -30.000 -10.000  13.403  1.00  1.00           H  
+ATOM     46 SHA  SHA S  46     -30.000  10.000  13.403  1.00  1.00           H  
+ATOM     47 SHA  SHA S  47     -30.000  30.000  13.403  1.00  1.00           H  
+ATOM     48 SHA  SHA S  48     -30.000  50.000  13.403  1.00  1.00           H  
+ATOM     49 SHA  SHA S  49     -10.000 -50.000  13.403  1.00  1.00           H  
+ATOM     50 SHA  SHA S  50     -10.000 -30.000  13.403  1.00  1.00           H  
+ATOM     51 SHA  SHA S  51     -10.000 -10.000  13.403  1.00  1.00           H  
+ATOM     52 SHA  SHA S  52     -10.000  10.000  13.403  1.00  1.00           H  
+ATOM     53 SHA  SHA S  53     -10.000  30.000  13.403  1.00  1.00           H  
+ATOM     54 SHA  SHA S  54     -10.000  50.000  13.403  1.00  1.00           H  
+ATOM     55 SHA  SHA S  55      10.000 -50.000  13.403  1.00  1.00           H  
+ATOM     56 SHA  SHA S  56      10.000 -30.000  13.403  1.00  1.00           H  
+ATOM     57 SHA  SHA S  57      10.000 -10.000  13.403  1.00  1.00           H  
+ATOM     58 SHA  SHA S  58      10.000  10.000  13.403  1.00  1.00           H  
+ATOM     59 SHA  SHA S  59      10.000  30.000  13.403  1.00  1.00           H  
+ATOM     60 SHA  SHA S  60      10.000  50.000  13.403  1.00  1.00           H  
+ATOM     61 SHA  SHA S  61      30.000 -50.000  13.403  1.00  1.00           H  
+ATOM     62 SHA  SHA S  62      30.000 -30.000  13.403  1.00  1.00           H  
+ATOM     63 SHA  SHA S  63      30.000 -10.000  13.403  1.00  1.00           H  
+ATOM     64 SHA  SHA S  64      30.000  10.000  13.403  1.00  1.00           H  
+ATOM     65 SHA  SHA S  65      30.000  30.000  13.403  1.00  1.00           H  
+ATOM     66 SHA  SHA S  66      30.000  50.000  13.403  1.00  1.00           H  
+ATOM     67 SHA  SHA S  67      50.000 -50.000  13.403  1.00  1.00           H  
+ATOM     68 SHA  SHA S  68      50.000 -30.000  13.403  1.00  1.00           H  
+ATOM     69 SHA  SHA S  69      50.000 -10.000  13.403  1.00  1.00           H  
+ATOM     70 SHA  SHA S  70      50.000  10.000  13.403  1.00  1.00           H  
+ATOM     71 SHA  SHA S  71      50.000  30.000  13.403  1.00  1.00           H  
+ATOM     72 SHA  SHA S  72      50.000  50.000  13.403  1.00  1.00           H  
+END
diff --git a/examples/docking-protein-surface/data/02_beads_smallspacing.pdb b/examples/docking-protein-surface/data/02_beads_smallspacing.pdb
new file mode 100644
index 000000000..926698407
--- /dev/null
+++ b/examples/docking-protein-surface/data/02_beads_smallspacing.pdb
@@ -0,0 +1,73 @@
+ATOM      1 SHA  SHA S   1     -10.000 -10.000 -13.403  1.00  1.00           H  
+ATOM      2 SHA  SHA S   2     -10.000  -6.000 -13.403  1.00  1.00           H  
+ATOM      3 SHA  SHA S   3     -10.000  -2.000 -13.403  1.00  1.00           H  
+ATOM      4 SHA  SHA S   4     -10.000   2.000 -13.403  1.00  1.00           H  
+ATOM      5 SHA  SHA S   5     -10.000   6.000 -13.403  1.00  1.00           H  
+ATOM      6 SHA  SHA S   6     -10.000  10.000 -13.403  1.00  1.00           H  
+ATOM      7 SHA  SHA S   7      -6.000 -10.000 -13.403  1.00  1.00           H  
+ATOM      8 SHA  SHA S   8      -6.000  -6.000 -13.403  1.00  1.00           H  
+ATOM      9 SHA  SHA S   9      -6.000  -2.000 -13.403  1.00  1.00           H  
+ATOM     10 SHA  SHA S  10      -6.000   2.000 -13.403  1.00  1.00           H  
+ATOM     11 SHA  SHA S  11      -6.000   6.000 -13.403  1.00  1.00           H  
+ATOM     12 SHA  SHA S  12      -6.000  10.000 -13.403  1.00  1.00           H  
+ATOM     13 SHA  SHA S  13      -2.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     14 SHA  SHA S  14      -2.000  -6.000 -13.403  1.00  1.00           H  
+ATOM     15 SHA  SHA S  15      -2.000  -2.000 -13.403  1.00  1.00           H  
+ATOM     16 SHA  SHA S  16      -2.000   2.000 -13.403  1.00  1.00           H  
+ATOM     17 SHA  SHA S  17      -2.000   6.000 -13.403  1.00  1.00           H  
+ATOM     18 SHA  SHA S  18      -2.000  10.000 -13.403  1.00  1.00           H  
+ATOM     19 SHA  SHA S  19       2.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     20 SHA  SHA S  20       2.000  -6.000 -13.403  1.00  1.00           H  
+ATOM     21 SHA  SHA S  21       2.000  -2.000 -13.403  1.00  1.00           H  
+ATOM     22 SHA  SHA S  22       2.000   2.000 -13.403  1.00  1.00           H  
+ATOM     23 SHA  SHA S  23       2.000   6.000 -13.403  1.00  1.00           H  
+ATOM     24 SHA  SHA S  24       2.000  10.000 -13.403  1.00  1.00           H  
+ATOM     25 SHA  SHA S  25       6.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     26 SHA  SHA S  26       6.000  -6.000 -13.403  1.00  1.00           H  
+ATOM     27 SHA  SHA S  27       6.000  -2.000 -13.403  1.00  1.00           H  
+ATOM     28 SHA  SHA S  28       6.000   2.000 -13.403  1.00  1.00           H  
+ATOM     29 SHA  SHA S  29       6.000   6.000 -13.403  1.00  1.00           H  
+ATOM     30 SHA  SHA S  30       6.000  10.000 -13.403  1.00  1.00           H  
+ATOM     31 SHA  SHA S  31      10.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     32 SHA  SHA S  32      10.000  -6.000 -13.403  1.00  1.00           H  
+ATOM     33 SHA  SHA S  33      10.000  -2.000 -13.403  1.00  1.00           H  
+ATOM     34 SHA  SHA S  34      10.000   2.000 -13.403  1.00  1.00           H  
+ATOM     35 SHA  SHA S  35      10.000   6.000 -13.403  1.00  1.00           H  
+ATOM     36 SHA  SHA S  36      10.000  10.000 -13.403  1.00  1.00           H  
+ATOM     37 SHA  SHA S  37     -10.000 -10.000  13.403  1.00  1.00           H  
+ATOM     38 SHA  SHA S  38     -10.000  -6.000  13.403  1.00  1.00           H  
+ATOM     39 SHA  SHA S  39     -10.000  -2.000  13.403  1.00  1.00           H  
+ATOM     40 SHA  SHA S  40     -10.000   2.000  13.403  1.00  1.00           H  
+ATOM     41 SHA  SHA S  41     -10.000   6.000  13.403  1.00  1.00           H  
+ATOM     42 SHA  SHA S  42     -10.000  10.000  13.403  1.00  1.00           H  
+ATOM     43 SHA  SHA S  43      -6.000 -10.000  13.403  1.00  1.00           H  
+ATOM     44 SHA  SHA S  44      -6.000  -6.000  13.403  1.00  1.00           H  
+ATOM     45 SHA  SHA S  45      -6.000  -2.000  13.403  1.00  1.00           H  
+ATOM     46 SHA  SHA S  46      -6.000   2.000  13.403  1.00  1.00           H  
+ATOM     47 SHA  SHA S  47      -6.000   6.000  13.403  1.00  1.00           H  
+ATOM     48 SHA  SHA S  48      -6.000  10.000  13.403  1.00  1.00           H  
+ATOM     49 SHA  SHA S  49      -2.000 -10.000  13.403  1.00  1.00           H  
+ATOM     50 SHA  SHA S  50      -2.000  -6.000  13.403  1.00  1.00           H  
+ATOM     51 SHA  SHA S  51      -2.000  -2.000  13.403  1.00  1.00           H  
+ATOM     52 SHA  SHA S  52      -2.000   2.000  13.403  1.00  1.00           H  
+ATOM     53 SHA  SHA S  53      -2.000   6.000  13.403  1.00  1.00           H  
+ATOM     54 SHA  SHA S  54      -2.000  10.000  13.403  1.00  1.00           H  
+ATOM     55 SHA  SHA S  55       2.000 -10.000  13.403  1.00  1.00           H  
+ATOM     56 SHA  SHA S  56       2.000  -6.000  13.403  1.00  1.00           H  
+ATOM     57 SHA  SHA S  57       2.000  -2.000  13.403  1.00  1.00           H  
+ATOM     58 SHA  SHA S  58       2.000   2.000  13.403  1.00  1.00           H  
+ATOM     59 SHA  SHA S  59       2.000   6.000  13.403  1.00  1.00           H  
+ATOM     60 SHA  SHA S  60       2.000  10.000  13.403  1.00  1.00           H  
+ATOM     61 SHA  SHA S  61       6.000 -10.000  13.403  1.00  1.00           H  
+ATOM     62 SHA  SHA S  62       6.000  -6.000  13.403  1.00  1.00           H  
+ATOM     63 SHA  SHA S  63       6.000  -2.000  13.403  1.00  1.00           H  
+ATOM     64 SHA  SHA S  64       6.000   2.000  13.403  1.00  1.00           H  
+ATOM     65 SHA  SHA S  65       6.000   6.000  13.403  1.00  1.00           H  
+ATOM     66 SHA  SHA S  66       6.000  10.000  13.403  1.00  1.00           H  
+ATOM     67 SHA  SHA S  67      10.000 -10.000  13.403  1.00  1.00           H  
+ATOM     68 SHA  SHA S  68      10.000  -6.000  13.403  1.00  1.00           H  
+ATOM     69 SHA  SHA S  69      10.000  -2.000  13.403  1.00  1.00           H  
+ATOM     70 SHA  SHA S  70      10.000   2.000  13.403  1.00  1.00           H  
+ATOM     71 SHA  SHA S  71      10.000   6.000  13.403  1.00  1.00           H  
+ATOM     72 SHA  SHA S  72      10.000  10.000  13.403  1.00  1.00           H  
+END
diff --git a/examples/docking-protein-surface/data/02_z.tbl b/examples/docking-protein-surface/data/02_z.tbl
new file mode 100644
index 000000000..b8b49fae3
--- /dev/null
+++ b/examples/docking-protein-surface/data/02_z.tbl
@@ -0,0 +1,19 @@
+assign ( resid 19 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 83 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 145 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 119 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 167 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 98 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+assign ( resid 101 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+assign ( resid 126 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+assign ( resid 129 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+
diff --git a/examples/docking-protein-surface/data/02_z_smallspacing.tbl b/examples/docking-protein-surface/data/02_z_smallspacing.tbl
new file mode 100644
index 000000000..0b994fab1
--- /dev/null
+++ b/examples/docking-protein-surface/data/02_z_smallspacing.tbl
@@ -0,0 +1,19 @@
+assign ( resid 19 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 2.0 2.0 0.0
+
+assign ( resid 83 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 2.0 2.0 0.0
+
+assign ( resid 145 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 2.0 2.0 0.0
+
+assign ( resid 119 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 2.0 2.0 0.0
+
+assign ( resid 167 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 2.0 2.0 0.0
+
+assign ( resid 98 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 2.0 2.0 0.0
+
+assign ( resid 101 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 2.0 2.0 0.0
+
+assign ( resid 126 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 2.0 2.0 0.0
+
+assign ( resid 129 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 2.0 2.0 0.0
+
+
diff --git a/examples/docking-protein-surface/data/03_beads.pdb b/examples/docking-protein-surface/data/03_beads.pdb
new file mode 100644
index 000000000..7475d89cc
--- /dev/null
+++ b/examples/docking-protein-surface/data/03_beads.pdb
@@ -0,0 +1,109 @@
+ATOM      1 SHA  SHA S   1     -50.000 -50.000 -13.403  1.00  1.00           H  
+ATOM      2 SHA  SHA S   2     -50.000 -30.000 -13.403  1.00  1.00           H  
+ATOM      3 SHA  SHA S   3     -50.000 -10.000 -13.403  1.00  1.00           H  
+ATOM      4 SHA  SHA S   4     -50.000  10.000 -13.403  1.00  1.00           H  
+ATOM      5 SHA  SHA S   5     -50.000  30.000 -13.403  1.00  1.00           H  
+ATOM      6 SHA  SHA S   6     -50.000  50.000 -13.403  1.00  1.00           H  
+ATOM      7 SHA  SHA S   7     -30.000 -50.000 -13.403  1.00  1.00           H  
+ATOM      8 SHA  SHA S   8     -30.000 -30.000 -13.403  1.00  1.00           H  
+ATOM      9 SHA  SHA S   9     -30.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     10 SHA  SHA S  10     -30.000  10.000 -13.403  1.00  1.00           H  
+ATOM     11 SHA  SHA S  11     -30.000  30.000 -13.403  1.00  1.00           H  
+ATOM     12 SHA  SHA S  12     -30.000  50.000 -13.403  1.00  1.00           H  
+ATOM     13 SHA  SHA S  13     -10.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     14 SHA  SHA S  14     -10.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     15 SHA  SHA S  15     -10.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     16 SHA  SHA S  16     -10.000  10.000 -13.403  1.00  1.00           H  
+ATOM     17 SHA  SHA S  17     -10.000  30.000 -13.403  1.00  1.00           H  
+ATOM     18 SHA  SHA S  18     -10.000  50.000 -13.403  1.00  1.00           H  
+ATOM     19 SHA  SHA S  19      10.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     20 SHA  SHA S  20      10.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     21 SHA  SHA S  21      10.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     22 SHA  SHA S  22      10.000  10.000 -13.403  1.00  1.00           H  
+ATOM     23 SHA  SHA S  23      10.000  30.000 -13.403  1.00  1.00           H  
+ATOM     24 SHA  SHA S  24      10.000  50.000 -13.403  1.00  1.00           H  
+ATOM     25 SHA  SHA S  25      30.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     26 SHA  SHA S  26      30.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     27 SHA  SHA S  27      30.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     28 SHA  SHA S  28      30.000  10.000 -13.403  1.00  1.00           H  
+ATOM     29 SHA  SHA S  29      30.000  30.000 -13.403  1.00  1.00           H  
+ATOM     30 SHA  SHA S  30      30.000  50.000 -13.403  1.00  1.00           H  
+ATOM     31 SHA  SHA S  31      50.000 -50.000 -13.403  1.00  1.00           H  
+ATOM     32 SHA  SHA S  32      50.000 -30.000 -13.403  1.00  1.00           H  
+ATOM     33 SHA  SHA S  33      50.000 -10.000 -13.403  1.00  1.00           H  
+ATOM     34 SHA  SHA S  34      50.000  10.000 -13.403  1.00  1.00           H  
+ATOM     35 SHA  SHA S  35      50.000  30.000 -13.403  1.00  1.00           H  
+ATOM     36 SHA  SHA S  36      50.000  50.000 -13.403  1.00  1.00           H  
+ATOM     37 SHA  SHA S  37     -50.000 -50.000  13.403  1.00  1.00           H  
+ATOM     38 SHA  SHA S  38     -50.000 -30.000  13.403  1.00  1.00           H  
+ATOM     39 SHA  SHA S  39     -50.000 -10.000  13.403  1.00  1.00           H  
+ATOM     40 SHA  SHA S  40     -50.000  10.000  13.403  1.00  1.00           H  
+ATOM     41 SHA  SHA S  41     -50.000  30.000  13.403  1.00  1.00           H  
+ATOM     42 SHA  SHA S  42     -50.000  50.000  13.403  1.00  1.00           H  
+ATOM     43 SHA  SHA S  43     -30.000 -50.000  13.403  1.00  1.00           H  
+ATOM     44 SHA  SHA S  44     -30.000 -30.000  13.403  1.00  1.00           H  
+ATOM     45 SHA  SHA S  45     -30.000 -10.000  13.403  1.00  1.00           H  
+ATOM     46 SHA  SHA S  46     -30.000  10.000  13.403  1.00  1.00           H  
+ATOM     47 SHA  SHA S  47     -30.000  30.000  13.403  1.00  1.00           H  
+ATOM     48 SHA  SHA S  48     -30.000  50.000  13.403  1.00  1.00           H  
+ATOM     49 SHA  SHA S  49     -10.000 -50.000  13.403  1.00  1.00           H  
+ATOM     50 SHA  SHA S  50     -10.000 -30.000  13.403  1.00  1.00           H  
+ATOM     51 SHA  SHA S  51     -10.000 -10.000  13.403  1.00  1.00           H  
+ATOM     52 SHA  SHA S  52     -10.000  10.000  13.403  1.00  1.00           H  
+ATOM     53 SHA  SHA S  53     -10.000  30.000  13.403  1.00  1.00           H  
+ATOM     54 SHA  SHA S  54     -10.000  50.000  13.403  1.00  1.00           H  
+ATOM     55 SHA  SHA S  55      10.000 -50.000  13.403  1.00  1.00           H  
+ATOM     56 SHA  SHA S  56      10.000 -30.000  13.403  1.00  1.00           H  
+ATOM     57 SHA  SHA S  57      10.000 -10.000  13.403  1.00  1.00           H  
+ATOM     58 SHA  SHA S  58      10.000  10.000  13.403  1.00  1.00           H  
+ATOM     59 SHA  SHA S  59      10.000  30.000  13.403  1.00  1.00           H  
+ATOM     60 SHA  SHA S  60      10.000  50.000  13.403  1.00  1.00           H  
+ATOM     61 SHA  SHA S  61      30.000 -50.000  13.403  1.00  1.00           H  
+ATOM     62 SHA  SHA S  62      30.000 -30.000  13.403  1.00  1.00           H  
+ATOM     63 SHA  SHA S  63      30.000 -10.000  13.403  1.00  1.00           H  
+ATOM     64 SHA  SHA S  64      30.000  10.000  13.403  1.00  1.00           H  
+ATOM     65 SHA  SHA S  65      30.000  30.000  13.403  1.00  1.00           H  
+ATOM     66 SHA  SHA S  66      30.000  50.000  13.403  1.00  1.00           H  
+ATOM     67 SHA  SHA S  67      50.000 -50.000  13.403  1.00  1.00           H  
+ATOM     68 SHA  SHA S  68      50.000 -30.000  13.403  1.00  1.00           H  
+ATOM     69 SHA  SHA S  69      50.000 -10.000  13.403  1.00  1.00           H  
+ATOM     70 SHA  SHA S  70      50.000  10.000  13.403  1.00  1.00           H  
+ATOM     71 SHA  SHA S  71      50.000  30.000  13.403  1.00  1.00           H  
+ATOM     72 SHA  SHA S  72      50.000  50.000  13.403  1.00  1.00           H  
+ATOM     73 SHA  SHA S  73     -50.000 -50.000  25.089  1.00  1.00           H  
+ATOM     74 SHA  SHA S  74     -50.000 -30.000  25.089  1.00  1.00           H  
+ATOM     75 SHA  SHA S  75     -50.000 -10.000  25.089  1.00  1.00           H  
+ATOM     76 SHA  SHA S  76     -50.000  10.000  25.089  1.00  1.00           H  
+ATOM     77 SHA  SHA S  77     -50.000  30.000  25.089  1.00  1.00           H  
+ATOM     78 SHA  SHA S  78     -50.000  50.000  25.089  1.00  1.00           H  
+ATOM     79 SHA  SHA S  79     -30.000 -50.000  25.089  1.00  1.00           H  
+ATOM     80 SHA  SHA S  80     -30.000 -30.000  25.089  1.00  1.00           H  
+ATOM     81 SHA  SHA S  81     -30.000 -10.000  25.089  1.00  1.00           H  
+ATOM     82 SHA  SHA S  82     -30.000  10.000  25.089  1.00  1.00           H  
+ATOM     83 SHA  SHA S  83     -30.000  30.000  25.089  1.00  1.00           H  
+ATOM     84 SHA  SHA S  84     -30.000  50.000  25.089  1.00  1.00           H  
+ATOM     85 SHA  SHA S  85     -10.000 -50.000  25.089  1.00  1.00           H  
+ATOM     86 SHA  SHA S  86     -10.000 -30.000  25.089  1.00  1.00           H  
+ATOM     87 SHA  SHA S  87     -10.000 -10.000  25.089  1.00  1.00           H  
+ATOM     88 SHA  SHA S  88     -10.000  10.000  25.089  1.00  1.00           H  
+ATOM     89 SHA  SHA S  89     -10.000  30.000  25.089  1.00  1.00           H  
+ATOM     90 SHA  SHA S  90     -10.000  50.000  25.089  1.00  1.00           H  
+ATOM     91 SHA  SHA S  91      10.000 -50.000  25.089  1.00  1.00           H  
+ATOM     92 SHA  SHA S  92      10.000 -30.000  25.089  1.00  1.00           H  
+ATOM     93 SHA  SHA S  93      10.000 -10.000  25.089  1.00  1.00           H  
+ATOM     94 SHA  SHA S  94      10.000  10.000  25.089  1.00  1.00           H  
+ATOM     95 SHA  SHA S  95      10.000  30.000  25.089  1.00  1.00           H  
+ATOM     96 SHA  SHA S  96      10.000  50.000  25.089  1.00  1.00           H  
+ATOM     97 SHA  SHA S  97      30.000 -50.000  25.089  1.00  1.00           H  
+ATOM     98 SHA  SHA S  98      30.000 -30.000  25.089  1.00  1.00           H  
+ATOM     99 SHA  SHA S  99      30.000 -10.000  25.089  1.00  1.00           H  
+ATOM    100 SHA  SHA S 100      30.000  10.000  25.089  1.00  1.00           H  
+ATOM    101 SHA  SHA S 101      30.000  30.000  25.089  1.00  1.00           H  
+ATOM    102 SHA  SHA S 102      30.000  50.000  25.089  1.00  1.00           H  
+ATOM    103 SHA  SHA S 103      50.000 -50.000  25.089  1.00  1.00           H  
+ATOM    104 SHA  SHA S 104      50.000 -30.000  25.089  1.00  1.00           H  
+ATOM    105 SHA  SHA S 105      50.000 -10.000  25.089  1.00  1.00           H  
+ATOM    106 SHA  SHA S 106      50.000  10.000  25.089  1.00  1.00           H  
+ATOM    107 SHA  SHA S 107      50.000  30.000  25.089  1.00  1.00           H  
+ATOM    108 SHA  SHA S 108      50.000  50.000  25.089  1.00  1.00           H  
+END
diff --git a/examples/docking-protein-surface/data/03_z.tbl b/examples/docking-protein-surface/data/03_z.tbl
new file mode 100644
index 000000000..2e4d05253
--- /dev/null
+++ b/examples/docking-protein-surface/data/03_z.tbl
@@ -0,0 +1,33 @@
+assign ( resid 19 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 83 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 145 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 119 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 167 and segid A and name CA ) (  segid S and name SHA and attr z le -13.403) 8.0 8.0 0.0
+
+assign ( resid 98 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+assign ( resid 101 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+assign ( resid 126 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+assign ( resid 129 and segid A and name CA ) (  segid S and name SHA and attr z ge 13.403) 8.0 8.0 0.0
+
+assign ( resid 23 and segid A and name CA ) (  segid S and name SHA and attr z ge 25.089) 8.0 8.0 0.0
+
+assign ( resid 62 and segid A and name CA ) (  segid S and name SHA and attr z ge 25.089) 8.0 8.0 0.0
+
+assign ( resid 87 and segid A and name CA ) (  segid S and name SHA and attr z ge 25.089) 8.0 8.0 0.0
+
+assign ( resid 111 and segid A and name CA ) (  segid S and name SHA and attr z ge 25.089) 8.0 8.0 0.0
+
+assign ( resid 116 and segid A and name CA ) (  segid S and name SHA and attr z ge 25.089) 8.0 8.0 0.0
+
+assign ( resid 153 and segid A and name CA ) (  segid S and name SHA and attr z ge 25.089) 8.0 8.0 0.0
+
+assign ( resid 163 and segid A and name CA ) (  segid S and name SHA and attr z ge 25.089) 8.0 8.0 0.0
+
+
diff --git a/examples/docking-protein-surface/data/protein.pdb b/examples/docking-protein-surface/data/protein.pdb
new file mode 100644
index 000000000..e5cada5b9
--- /dev/null
+++ b/examples/docking-protein-surface/data/protein.pdb
@@ -0,0 +1,2323 @@
+ATOM      1  HA  THR A  19      50.714  46.989  12.392  1.00 38.19      A       
+ATOM      2  CB  THR A  19      52.670  47.728  12.932  1.00 75.00      A       
+ATOM      3  HB  THR A  19      53.125  47.676  11.954  1.00 38.19      A       
+ATOM      4  OG1 THR A  19      52.949  46.525  13.626  1.00 75.00      A       
+ATOM      5  HG1 THR A  19      52.830  45.778  13.034  1.00 38.19      A       
+ATOM      6  CG2 THR A  19      53.333  48.877  13.705  1.00 75.00      A       
+ATOM      7 HG21 THR A  19      53.184  49.804  13.169  1.00 38.19      A       
+ATOM      8 HG22 THR A  19      54.391  48.683  13.801  1.00 38.19      A       
+ATOM      9 HG23 THR A  19      52.890  48.953  14.687  1.00 38.19      A       
+ATOM     10  C   THR A  19      50.519  48.265  14.061  1.00 63.70      A       
+ATOM     11  O   THR A  19      50.801  49.227  14.805  1.00 66.54      A       
+ATOM     12  N   THR A  19      50.850  48.967  11.756  1.00 69.85      A       
+ATOM     13  HT1 THR A  19      51.188  49.888  12.103  1.00 38.19      A       
+ATOM     14  HT2 THR A  19      49.827  49.027  11.583  1.00 38.19      A       
+ATOM     15  HT3 THR A  19      51.330  48.751  10.859  1.00 38.19      A       
+ATOM     16  CA  THR A  19      51.134  47.921  12.745  1.00 69.95      A       
+ATOM     17  N   ILE A  20      49.565  47.430  14.540  1.00 48.92      A       
+ATOM     18  HN  ILE A  20      49.284  46.663  13.998  1.00 38.19      A       
+ATOM     19  CA  ILE A  20      48.977  47.636  15.780  1.00 43.91      A       
+ATOM     20  HA  ILE A  20      49.213  48.640  16.100  1.00 38.19      A       
+ATOM     21  CB  ILE A  20      47.491  47.477  15.785  1.00 41.90      A       
+ATOM     22  HB  ILE A  20      47.263  46.461  15.515  1.00 38.19      A       
+ATOM     23  CG1 ILE A  20      46.837  48.399  14.800  1.00 45.48      A       
+ATOM     24 HG11 ILE A  20      47.591  48.827  14.157  1.00 38.19      A       
+ATOM     25 HG12 ILE A  20      46.327  49.189  15.334  1.00 38.19      A       
+ATOM     26  CG2 ILE A  20      46.937  47.726  17.183  1.00 34.42      A       
+ATOM     27 HG21 ILE A  20      45.864  47.604  17.172  1.00 38.19      A       
+ATOM     28 HG22 ILE A  20      47.181  48.731  17.493  1.00 38.19      A       
+ATOM     29 HG23 ILE A  20      47.372  47.020  17.874  1.00 38.19      A       
+ATOM     30  CD1 ILE A  20      45.803  47.674  13.905  1.00 60.48      A       
+ATOM     31 HD11 ILE A  20      45.024  47.253  14.524  1.00 38.19      A       
+ATOM     32 HD12 ILE A  20      46.293  46.884  13.357  1.00 38.19      A       
+ATOM     33 HD13 ILE A  20      45.371  48.379  13.210  1.00 38.19      A       
+ATOM     34  C   ILE A  20      49.527  46.623  16.836  1.00 52.89      A       
+ATOM     35  O   ILE A  20      50.041  45.598  16.544  1.00 48.00      A       
+ATOM     36  N   GLU A  21      49.465  47.222  18.059  1.00 48.34      A       
+ATOM     37  HN  GLU A  21      49.040  48.100  18.139  1.00 38.19      A       
+ATOM     38  CA  GLU A  21      50.035  46.567  19.292  1.00 44.43      A       
+ATOM     39  HA  GLU A  21      50.578  45.687  18.983  1.00 38.19      A       
+ATOM     40  CB  GLU A  21      51.000  47.562  19.903  1.00 48.31      A       
+ATOM     41  HB1 GLU A  21      50.490  48.124  20.669  1.00 38.19      A       
+ATOM     42  HB2 GLU A  21      51.346  48.239  19.134  1.00 38.19      A       
+ATOM     43  CG  GLU A  21      52.215  46.875  20.534  1.00 75.00      A       
+ATOM     44  HG1 GLU A  21      52.752  46.340  19.764  1.00 38.19      A       
+ATOM     45  HG2 GLU A  21      51.871  46.177  21.282  1.00 38.19      A       
+ATOM     46  CD  GLU A  21      53.160  47.855  21.190  1.00 75.00      A       
+ATOM     47  OE1 GLU A  21      52.630  49.120  21.131  1.00 65.85      A       
+ATOM     48  OE2 GLU A  21      54.225  47.605  21.607  1.00 75.00      A       
+ATOM     49  C   GLU A  21      48.947  46.166  20.215  1.00 39.02      A       
+ATOM     50  O   GLU A  21      48.337  47.105  20.899  1.00 47.38      A       
+ATOM     51  N   ILE A  22      48.678  44.986  20.476  1.00 29.26      A       
+ATOM     52  HN  ILE A  22      49.150  44.271  20.002  1.00 38.19      A       
+ATOM     53  CA  ILE A  22      47.701  44.650  21.446  1.00 25.99      A       
+ATOM     54  HA  ILE A  22      47.057  45.506  21.581  1.00 38.19      A       
+ATOM     55  CB  ILE A  22      46.858  43.494  20.958  1.00 30.04      A       
+ATOM     56  HB  ILE A  22      47.518  42.735  20.565  1.00 38.19      A       
+ATOM     57  CG1 ILE A  22      45.959  43.969  19.878  1.00 26.96      A       
+ATOM     58 HG11 ILE A  22      46.290  44.939  19.539  1.00 38.19      A       
+ATOM     59 HG12 ILE A  22      44.952  44.046  20.260  1.00 38.19      A       
+ATOM     60  CG2 ILE A  22      46.088  42.894  22.127  1.00 29.03      A       
+ATOM     61 HG21 ILE A  22      45.188  42.423  21.762  1.00 38.19      A       
+ATOM     62 HG22 ILE A  22      45.829  43.675  22.826  1.00 38.19      A       
+ATOM     63 HG23 ILE A  22      46.703  42.157  22.624  1.00 38.19      A       
+ATOM     64  CD1 ILE A  22      45.941  43.043  18.694  1.00 24.04      A       
+ATOM     65 HD11 ILE A  22      45.615  42.063  19.008  1.00 38.19      A       
+ATOM     66 HD12 ILE A  22      46.935  42.975  18.276  1.00 38.19      A       
+ATOM     67 HD13 ILE A  22      45.262  43.426  17.947  1.00 38.19      A       
+ATOM     68  C   ILE A  22      48.362  44.324  22.754  1.00 33.19      A       
+ATOM     69  O   ILE A  22      49.129  43.502  22.879  1.00 36.75      A       
+ATOM     70  N   ILE A  23      47.961  45.139  23.792  1.00 28.35      A       
+ATOM     71  HN  ILE A  23      47.310  45.851  23.617  1.00 38.19      A       
+ATOM     72  CA  ILE A  23      48.478  44.970  25.128  1.00 30.46      A       
+ATOM     73  HA  ILE A  23      49.396  44.407  25.061  1.00 38.19      A       
+ATOM     74  CB  ILE A  23      48.797  46.323  25.733  1.00 34.06      A       
+ATOM     75  HB  ILE A  23      47.867  46.844  25.909  1.00 38.19      A       
+ATOM     76  CG1 ILE A  23      49.630  47.116  24.797  1.00 28.97      A       
+ATOM     77 HG11 ILE A  23      49.489  46.746  23.792  1.00 38.19      A       
+ATOM     78 HG12 ILE A  23      50.669  47.019  25.074  1.00 38.19      A       
+ATOM     79  CG2 ILE A  23      49.502  46.152  27.068  1.00 36.19      A       
+ATOM     80 HG21 ILE A  23      49.724  47.123  27.484  1.00 38.19      A       
+ATOM     81 HG22 ILE A  23      50.422  45.604  26.922  1.00 38.19      A       
+ATOM     82 HG23 ILE A  23      48.862  45.607  27.746  1.00 38.19      A       
+ATOM     83  CD1 ILE A  23      49.284  48.556  24.809  1.00 29.41      A       
+ATOM     84 HD11 ILE A  23      48.252  48.681  24.518  1.00 38.19      A       
+ATOM     85 HD12 ILE A  23      49.921  49.085  24.114  1.00 38.19      A       
+ATOM     86 HD13 ILE A  23      49.428  48.954  25.802  1.00 38.19      A       
+ATOM     87  C   ILE A  23      47.475  44.207  26.102  1.00 30.25      A       
+ATOM     88  O   ILE A  23      46.291  44.248  26.035  1.00 26.79      A       
+ATOM     89  N   ALA A  24      48.218  43.449  26.967  1.00 20.17      A       
+ATOM     90  HN  ALA A  24      49.195  43.526  26.955  1.00 38.19      A       
+ATOM     91  CA  ALA A  24      47.578  42.519  27.919  1.00 18.62      A       
+ATOM     92  HA  ALA A  24      47.222  41.664  27.362  1.00 38.19      A       
+ATOM     93  CB  ALA A  24      48.635  42.041  28.882  1.00 23.47      A       
+ATOM     94  HB1 ALA A  24      48.216  41.289  29.534  1.00 38.19      A       
+ATOM     95  HB2 ALA A  24      48.987  42.875  29.473  1.00 38.19      A       
+ATOM     96  HB3 ALA A  24      49.461  41.618  28.330  1.00 38.19      A       
+ATOM     97  C   ALA A  24      46.388  43.157  28.680  1.00 27.82      A       
+ATOM     98  O   ALA A  24      46.480  44.184  29.301  1.00 30.46      A       
+ATOM     99  N   PRO A  25      45.265  42.387  28.708  1.00 21.92      A       
+ATOM    100  CA  PRO A  25      44.112  42.743  29.347  1.00 19.37      A       
+ATOM    101  HA  PRO A  25      43.958  43.812  29.306  1.00 38.19      A       
+ATOM    102  CB  PRO A  25      42.969  42.051  28.651  1.00 23.81      A       
+ATOM    103  HB1 PRO A  25      42.267  42.791  28.298  1.00 38.19      A       
+ATOM    104  HB2 PRO A  25      42.474  41.394  29.351  1.00 38.19      A       
+ATOM    105  CG  PRO A  25      43.563  41.261  27.484  1.00 24.27      A       
+ATOM    106  HG1 PRO A  25      43.076  41.545  26.563  1.00 38.19      A       
+ATOM    107  HG2 PRO A  25      43.446  40.203  27.660  1.00 38.19      A       
+ATOM    108  CD  PRO A  25      45.035  41.627  27.436  1.00 19.70      A       
+ATOM    109  HD1 PRO A  25      45.239  42.248  26.577  1.00 38.19      A       
+ATOM    110  HD2 PRO A  25      45.642  40.734  27.408  1.00 38.19      A       
+ATOM    111  C   PRO A  25      44.170  42.327  30.733  1.00 24.73      A       
+ATOM    112  O   PRO A  25      43.568  42.768  31.717  1.00 28.93      A       
+ATOM    113  N   LEU A  26      45.017  41.374  31.063  1.00 23.40      A       
+ATOM    114  HN  LEU A  26      45.545  40.942  30.361  1.00 38.19      A       
+ATOM    115  CA  LEU A  26      45.190  40.940  32.453  1.00 24.36      A       
+ATOM    116  HA  LEU A  26      45.162  41.818  33.081  1.00 38.19      A       
+ATOM    117  CB  LEU A  26      44.008  39.955  32.880  1.00 24.67      A       
+ATOM    118  HB1 LEU A  26      43.065  40.414  32.630  1.00 38.19      A       
+ATOM    119  HB2 LEU A  26      44.053  39.799  33.947  1.00 38.19      A       
+ATOM    120  CG  LEU A  26      44.092  38.617  32.190  1.00 28.40      A       
+ATOM    121  HG  LEU A  26      45.043  38.156  32.416  1.00 38.19      A       
+ATOM    122  CD1 LEU A  26      42.985  37.717  32.730  1.00 30.33      A       
+ATOM    123 HD11 LEU A  26      42.024  38.165  32.522  1.00 38.19      A       
+ATOM    124 HD12 LEU A  26      43.104  37.600  33.797  1.00 38.19      A       
+ATOM    125 HD13 LEU A  26      43.042  36.750  32.253  1.00 38.19      A       
+ATOM    126  CD2 LEU A  26      43.942  38.697  30.683  1.00 37.33      A       
+ATOM    127 HD21 LEU A  26      44.740  39.300  30.273  1.00 38.19      A       
+ATOM    128 HD22 LEU A  26      42.991  39.147  30.440  1.00 38.19      A       
+ATOM    129 HD23 LEU A  26      43.989  37.704  30.263  1.00 38.19      A       
+ATOM    130  C   LEU A  26      46.525  40.298  32.581  1.00 28.01      A       
+ATOM    131  O   LEU A  26      47.395  40.203  31.757  1.00 26.47      A       
+ATOM    132  N   SER A  27      46.997  40.162  33.901  1.00 29.25      A       
+ATOM    133  HN  SER A  27      46.389  40.348  34.648  1.00 38.19      A       
+ATOM    134  CA  SER A  27      48.345  39.754  34.180  1.00 28.45      A       
+ATOM    135  HA  SER A  27      48.973  40.095  33.370  1.00 38.19      A       
+ATOM    136  CB  SER A  27      48.867  40.314  35.489  1.00 36.62      A       
+ATOM    137  HB1 SER A  27      49.676  39.692  35.844  1.00 38.19      A       
+ATOM    138  HB2 SER A  27      48.072  40.316  36.219  1.00 38.19      A       
+ATOM    139  OG  SER A  27      49.344  41.634  35.338  1.00 55.44      A       
+ATOM    140  HG  SER A  27      50.025  41.805  35.993  1.00 38.19      A       
+ATOM    141  C   SER A  27      48.395  38.260  34.242  1.00 33.17      A       
+ATOM    142  O   SER A  27      47.437  37.532  34.506  1.00 37.68      A       
+ATOM    143  N   GLY A  28      49.637  37.741  33.934  1.00 16.73      A       
+ATOM    144  HN  GLY A  28      50.372  38.353  33.722  1.00 38.19      A       
+ATOM    145  CA  GLY A  28      49.868  36.306  33.919  1.00 23.40      A       
+ATOM    146  HA1 GLY A  28      48.925  35.802  33.769  1.00 38.19      A       
+ATOM    147  HA2 GLY A  28      50.276  36.008  34.873  1.00 38.19      A       
+ATOM    148  C   GLY A  28      50.830  35.885  32.818  1.00 27.95      A       
+ATOM    149  O   GLY A  28      51.653  36.619  32.321  1.00 25.85      A       
+ATOM    150  N   GLU A  29      50.726  34.603  32.492  1.00 26.03      A       
+ATOM    151  HN  GLU A  29      50.045  34.051  32.930  1.00 38.19      A       
+ATOM    152  CA  GLU A  29      51.594  34.000  31.502  1.00 28.63      A       
+ATOM    153  HA  GLU A  29      52.383  34.703  31.276  1.00 38.19      A       
+ATOM    154  CB  GLU A  29      52.220  32.664  31.965  1.00 32.93      A       
+ATOM    155  HB1 GLU A  29      52.228  31.971  31.137  1.00 38.19      A       
+ATOM    156  HB2 GLU A  29      51.625  32.254  32.769  1.00 38.19      A       
+ATOM    157  CG  GLU A  29      53.676  32.847  32.467  1.00 75.00      A       
+ATOM    158  HG1 GLU A  29      54.006  33.846  32.219  1.00 38.19      A       
+ATOM    159  HG2 GLU A  29      54.308  32.127  31.969  1.00 38.19      A       
+ATOM    160  CD  GLU A  29      53.810  32.648  33.988  1.00 75.00      A       
+ATOM    161  OE1 GLU A  29      52.848  31.906  34.503  1.00 75.00      A       
+ATOM    162  OE2 GLU A  29      54.732  33.133  34.650  1.00 75.00      A       
+ATOM    163  C   GLU A  29      50.797  33.713  30.222  1.00 29.51      A       
+ATOM    164  O   GLU A  29      49.737  33.132  30.264  1.00 32.31      A       
+ATOM    165  N   ILE A  30      51.470  34.039  29.140  1.00 26.66      A       
+ATOM    166  HN  ILE A  30      52.355  34.451  29.232  1.00 38.19      A       
+ATOM    167  CA  ILE A  30      50.938  33.808  27.830  1.00 32.09      A       
+ATOM    168  HA  ILE A  30      49.913  34.148  27.820  1.00 38.19      A       
+ATOM    169  CB  ILE A  30      51.709  34.599  26.803  1.00 30.36      A       
+ATOM    170  HB  ILE A  30      52.762  34.417  26.958  1.00 38.19      A       
+ATOM    171  CG1 ILE A  30      51.424  36.082  26.985  1.00 36.94      A       
+ATOM    172 HG11 ILE A  30      51.837  36.412  27.927  1.00 38.19      A       
+ATOM    173 HG12 ILE A  30      50.356  36.242  26.984  1.00 38.19      A       
+ATOM    174  CG2 ILE A  30      51.345  34.092  25.439  1.00 20.62      A       
+ATOM    175 HG21 ILE A  30      51.586  33.042  25.368  1.00 38.19      A       
+ATOM    176 HG22 ILE A  30      51.900  34.640  24.691  1.00 38.19      A       
+ATOM    177 HG23 ILE A  30      50.287  34.230  25.274  1.00 38.19      A       
+ATOM    178  CD1 ILE A  30      52.034  36.941  25.875  1.00 28.46      A       
+ATOM    179 HD11 ILE A  30      51.787  37.979  26.047  1.00 38.19      A       
+ATOM    180 HD12 ILE A  30      51.638  36.630  24.920  1.00 38.19      A       
+ATOM    181 HD13 ILE A  30      53.107  36.821  25.877  1.00 38.19      A       
+ATOM    182  C   ILE A  30      50.975  32.301  27.433  1.00 38.55      A       
+ATOM    183  O   ILE A  30      52.019  31.730  27.393  1.00 34.01      A       
+ATOM    184  N   VAL A  31      49.792  31.792  27.149  1.00 39.12      A       
+ATOM    185  HN  VAL A  31      49.000  32.364  27.209  1.00 38.19      A       
+ATOM    186  CA  VAL A  31      49.636  30.405  26.751  1.00 28.17      A       
+ATOM    187  HA  VAL A  31      50.592  29.914  26.859  1.00 38.19      A       
+ATOM    188  CB  VAL A  31      48.653  29.745  27.699  1.00 31.08      A       
+ATOM    189  HB  VAL A  31      47.705  30.256  27.614  1.00 38.19      A       
+ATOM    190  CG1 VAL A  31      48.440  28.289  27.333  1.00 34.67      A       
+ATOM    191 HG11 VAL A  31      49.381  27.763  27.390  1.00 38.19      A       
+ATOM    192 HG12 VAL A  31      48.051  28.223  26.327  1.00 38.19      A       
+ATOM    193 HG13 VAL A  31      47.737  27.844  28.021  1.00 38.19      A       
+ATOM    194  CG2 VAL A  31      49.129  29.875  29.122  1.00 26.34      A       
+ATOM    195 HG21 VAL A  31      49.213  30.920  29.380  1.00 38.19      A       
+ATOM    196 HG22 VAL A  31      50.093  29.399  29.223  1.00 38.19      A       
+ATOM    197 HG23 VAL A  31      48.421  29.397  29.783  1.00 38.19      A       
+ATOM    198  C   VAL A  31      49.185  30.291  25.316  1.00 35.04      A       
+ATOM    199  O   VAL A  31      48.843  31.289  24.643  1.00 42.53      A       
+ATOM    200  N   ASN A  32      49.185  29.083  24.781  1.00 33.32      A       
+ATOM    201  HN  ASN A  32      49.425  28.314  25.338  1.00 38.19      A       
+ATOM    202  CA  ASN A  32      48.835  28.867  23.376  1.00 33.71      A       
+ATOM    203  HA  ASN A  32      49.087  29.763  22.828  1.00 38.19      A       
+ATOM    204  CB  ASN A  32      49.573  27.683  22.767  1.00 54.36      A       
+ATOM    205  HB1 ASN A  32      48.979  27.267  21.968  1.00 38.19      A       
+ATOM    206  HB2 ASN A  32      49.729  26.931  23.527  1.00 38.19      A       
+ATOM    207  CG  ASN A  32      50.917  28.084  22.208  1.00 75.00      A       
+ATOM    208  OD1 ASN A  32      51.054  29.177  21.574  1.00 75.00      A       
+ATOM    209  ND2 ASN A  32      51.914  27.255  22.442  1.00 75.00      A       
+ATOM    210 HD21 ASN A  32      51.728  26.442  22.957  1.00 38.19      A       
+ATOM    211 HD22 ASN A  32      52.799  27.485  22.091  1.00 38.19      A       
+ATOM    212  C   ASN A  32      47.392  28.641  23.279  1.00 33.80      A       
+ATOM    213  O   ASN A  32      46.735  27.813  23.913  1.00 34.76      A       
+ATOM    214  N   ILE A  33      46.746  29.424  22.407  1.00 25.44      A       
+ATOM    215  HN  ILE A  33      47.255  30.079  21.886  1.00 38.19      A       
+ATOM    216  CA  ILE A  33      45.381  29.331  22.223  1.00 28.39      A       
+ATOM    217  HA  ILE A  33      44.894  29.738  23.097  1.00 38.19      A       
+ATOM    218  CB  ILE A  33      44.954  30.179  20.983  1.00 34.28      A       
+ATOM    219  HB  ILE A  33      45.569  31.066  20.951  1.00 38.19      A       
+ATOM    220  CG1 ILE A  33      43.488  30.588  21.105  1.00 42.59      A       
+ATOM    221 HG11 ILE A  33      42.886  29.709  21.285  1.00 38.19      A       
+ATOM    222 HG12 ILE A  33      43.172  31.057  20.185  1.00 38.19      A       
+ATOM    223  CG2 ILE A  33      45.198  29.392  19.714  1.00 31.05      A       
+ATOM    224 HG21 ILE A  33      44.616  28.482  19.736  1.00 38.19      A       
+ATOM    225 HG22 ILE A  33      46.247  29.148  19.638  1.00 38.19      A       
+ATOM    226 HG23 ILE A  33      44.903  29.986  18.861  1.00 38.19      A       
+ATOM    227  CD1 ILE A  33      43.239  31.572  22.247  1.00 40.25      A       
+ATOM    228 HD11 ILE A  33      43.834  32.460  22.093  1.00 38.19      A       
+ATOM    229 HD12 ILE A  33      43.515  31.112  23.184  1.00 38.19      A       
+ATOM    230 HD13 ILE A  33      42.193  31.839  22.271  1.00 38.19      A       
+ATOM    231  C   ILE A  33      44.990  27.858  22.073  1.00 29.60      A       
+ATOM    232  O   ILE A  33      44.066  27.377  22.711  1.00 33.36      A       
+ATOM    233  N   GLU A  34      45.896  27.154  21.379  1.00 27.74      A       
+ATOM    234  HN  GLU A  34      46.688  27.611  21.024  1.00 38.19      A       
+ATOM    235  CA  GLU A  34      45.729  25.691  21.136  1.00 21.63      A       
+ATOM    236  HA  GLU A  34      44.840  25.548  20.538  1.00 38.19      A       
+ATOM    237  CB  GLU A  34      46.956  25.135  20.372  1.00 23.47      A       
+ATOM    238  HB1 GLU A  34      46.811  24.082  20.182  1.00 38.19      A       
+ATOM    239  HB2 GLU A  34      47.841  25.272  20.977  1.00 38.19      A       
+ATOM    240  CG  GLU A  34      47.161  25.853  19.023  1.00 24.32      A       
+ATOM    241  HG1 GLU A  34      46.198  26.171  18.649  1.00 38.19      A       
+ATOM    242  HG2 GLU A  34      47.605  25.160  18.324  1.00 38.19      A       
+ATOM    243  CD  GLU A  34      48.071  27.082  19.137  1.00 61.84      A       
+ATOM    244  OE1 GLU A  34      48.621  27.432  20.122  1.00 75.00      A       
+ATOM    245  OE2 GLU A  34      48.137  27.701  17.958  1.00 62.08      A       
+ATOM    246  C   GLU A  34      45.560  24.977  22.446  1.00 34.68      A       
+ATOM    247  O   GLU A  34      44.833  23.872  22.480  1.00 35.54      A       
+ATOM    248  N   ASP A  35      46.144  25.251  23.536  1.00 38.87      A       
+ATOM    249  HN  ASP A  35      46.701  26.058  23.597  1.00 38.19      A       
+ATOM    250  CA  ASP A  35      46.006  24.400  24.678  1.00 33.53      A       
+ATOM    251  HA  ASP A  35      45.691  23.427  24.328  1.00 38.19      A       
+ATOM    252  CB  ASP A  35      47.327  24.241  25.510  1.00 30.88      A       
+ATOM    253  HB1 ASP A  35      47.326  23.274  25.991  1.00 38.19      A       
+ATOM    254  HB2 ASP A  35      47.375  25.015  26.261  1.00 38.19      A       
+ATOM    255  CG  ASP A  35      48.558  24.342  24.634  1.00 58.05      A       
+ATOM    256  OD1 ASP A  35      48.618  23.711  23.563  1.00 60.77      A       
+ATOM    257  OD2 ASP A  35      49.479  25.101  25.095  1.00 75.00      A       
+ATOM    258  C   ASP A  35      44.922  24.972  25.590  1.00 39.74      A       
+ATOM    259  O   ASP A  35      44.686  24.442  26.709  1.00 47.23      A       
+ATOM    260  N   VAL A  36      43.974  25.702  25.014  1.00 25.68      A       
+ATOM    261  HN  VAL A  36      44.101  26.013  24.094  1.00 38.19      A       
+ATOM    262  CA  VAL A  36      42.778  26.043  25.703  1.00 24.71      A       
+ATOM    263  HA  VAL A  36      43.015  26.155  26.751  1.00 38.19      A       
+ATOM    264  CB  VAL A  36      42.234  27.358  25.195  1.00 30.71      A       
+ATOM    265  HB  VAL A  36      41.902  27.217  24.178  1.00 38.19      A       
+ATOM    266  CG1 VAL A  36      41.047  27.808  26.019  1.00 32.54      A       
+ATOM    267 HG11 VAL A  36      41.352  27.942  27.046  1.00 38.19      A       
+ATOM    268 HG12 VAL A  36      40.269  27.059  25.970  1.00 38.19      A       
+ATOM    269 HG13 VAL A  36      40.671  28.743  25.630  1.00 38.19      A       
+ATOM    270  CG2 VAL A  36      43.328  28.397  25.191  1.00 29.25      A       
+ATOM    271 HG21 VAL A  36      43.683  28.549  26.199  1.00 38.19      A       
+ATOM    272 HG22 VAL A  36      42.941  29.327  24.801  1.00 38.19      A       
+ATOM    273 HG23 VAL A  36      44.145  28.058  24.571  1.00 38.19      A       
+ATOM    274  C   VAL A  36      41.712  24.942  25.544  1.00 41.75      A       
+ATOM    275  O   VAL A  36      41.364  24.706  24.491  1.00 50.13      A       
+ATOM    276  N   PRO A  37      41.398  24.253  26.693  1.00 35.53      A       
+ATOM    277  CA  PRO A  37      40.488  23.175  26.786  1.00 35.48      A       
+ATOM    278  HA  PRO A  37      40.854  22.309  26.254  1.00 38.19      A       
+ATOM    279  CB  PRO A  37      40.351  22.839  28.244  1.00 31.99      A       
+ATOM    280  HB1 PRO A  37      40.763  21.857  28.421  1.00 38.19      A       
+ATOM    281  HB2 PRO A  37      39.304  22.839  28.509  1.00 38.19      A       
+ATOM    282  CG  PRO A  37      41.120  23.908  29.038  1.00 32.92      A       
+ATOM    283  HG1 PRO A  37      41.792  23.432  29.737  1.00 38.19      A       
+ATOM    284  HG2 PRO A  37      40.424  24.545  29.563  1.00 38.19      A       
+ATOM    285  CD  PRO A  37      41.915  24.726  28.009  1.00 29.28      A       
+ATOM    286  HD1 PRO A  37      42.971  24.521  28.102  1.00 38.19      A       
+ATOM    287  HD2 PRO A  37      41.723  25.780  28.138  1.00 38.19      A       
+ATOM    288  C   PRO A  37      39.006  23.514  26.274  1.00 52.31      A       
+ATOM    289  O   PRO A  37      38.061  23.105  26.874  1.00 57.48      A       
+ATOM    290  N   ASP A  38      38.898  24.147  25.122  1.00 52.43      A       
+ATOM    291  HN  ASP A  38      39.712  24.408  24.643  1.00 38.19      A       
+ATOM    292  CA  ASP A  38      37.651  24.457  24.568  1.00 52.40      A       
+ATOM    293  HA  ASP A  38      37.031  23.575  24.623  1.00 38.19      A       
+ATOM    294  CB  ASP A  38      36.980  25.621  25.400  1.00 56.38      A       
+ATOM    295  HB1 ASP A  38      37.629  26.485  25.392  1.00 38.19      A       
+ATOM    296  HB2 ASP A  38      36.836  25.291  26.418  1.00 38.19      A       
+ATOM    297  CG  ASP A  38      35.608  26.030  24.817  1.00 75.00      A       
+ATOM    298  OD1 ASP A  38      35.328  25.644  23.661  1.00 75.00      A       
+ATOM    299  OD2 ASP A  38      34.873  26.785  25.529  1.00 75.00      A       
+ATOM    300  C   ASP A  38      37.877  24.820  23.094  1.00 57.51      A       
+ATOM    301  O   ASP A  38      38.604  25.732  22.709  1.00 56.17      A       
+ATOM    302  N   VAL A  39      37.439  23.905  22.419  1.00 53.28      A       
+ATOM    303  HN  VAL A  39      36.916  23.201  22.854  1.00 38.19      A       
+ATOM    304  CA  VAL A  39      37.685  23.825  20.905  1.00 49.55      A       
+ATOM    305  HA  VAL A  39      38.751  23.756  20.743  1.00 38.19      A       
+ATOM    306  CB  VAL A  39      37.043  22.537  20.407  1.00 57.64      A       
+ATOM    307  HB  VAL A  39      36.612  22.724  19.434  1.00 38.19      A       
+ATOM    308  CG1 VAL A  39      38.111  21.520  20.256  1.00 62.34      A       
+ATOM    309 HG11 VAL A  39      38.869  21.887  19.578  1.00 38.19      A       
+ATOM    310 HG12 VAL A  39      37.686  20.608  19.863  1.00 38.19      A       
+ATOM    311 HG13 VAL A  39      38.556  21.325  21.219  1.00 38.19      A       
+ATOM    312  CG2 VAL A  39      35.942  22.012  21.338  1.00 56.86      A       
+ATOM    313 HG21 VAL A  39      36.368  21.792  22.305  1.00 38.19      A       
+ATOM    314 HG22 VAL A  39      35.514  21.113  20.921  1.00 38.19      A       
+ATOM    315 HG23 VAL A  39      35.173  22.763  21.446  1.00 38.19      A       
+ATOM    316  C   VAL A  39      37.162  25.012  20.184  1.00 43.74      A       
+ATOM    317  O   VAL A  39      37.743  25.287  19.063  1.00 44.25      A       
+ATOM    318  N   VAL A  40      36.353  25.907  20.720  1.00 31.41      A       
+ATOM    319  HN  VAL A  40      36.005  25.755  21.624  1.00 38.19      A       
+ATOM    320  CA  VAL A  40      35.969  27.097  20.013  1.00 28.13      A       
+ATOM    321  HA  VAL A  40      35.753  26.824  18.990  1.00 38.19      A       
+ATOM    322  CB  VAL A  40      34.673  27.763  20.633  1.00 37.13      A       
+ATOM    323  HB  VAL A  40      33.929  26.993  20.769  1.00 38.19      A       
+ATOM    324  CG1 VAL A  40      34.950  28.391  21.971  1.00 43.81      A       
+ATOM    325 HG11 VAL A  40      34.041  28.825  22.360  1.00 38.19      A       
+ATOM    326 HG12 VAL A  40      35.698  29.161  21.859  1.00 38.19      A       
+ATOM    327 HG13 VAL A  40      35.310  27.637  22.655  1.00 38.19      A       
+ATOM    328  CG2 VAL A  40      34.125  28.776  19.680  1.00 38.07      A       
+ATOM    329 HG21 VAL A  40      34.925  29.409  19.330  1.00 38.19      A       
+ATOM    330 HG22 VAL A  40      33.383  29.379  20.184  1.00 38.19      A       
+ATOM    331 HG23 VAL A  40      33.671  28.274  18.839  1.00 38.19      A       
+ATOM    332  C   VAL A  40      37.111  28.118  20.028  1.00 40.14      A       
+ATOM    333  O   VAL A  40      37.266  28.867  19.045  1.00 34.25      A       
+ATOM    334  N   PHE A  41      37.965  27.978  21.038  1.00 41.29      A       
+ATOM    335  HN  PHE A  41      37.766  27.331  21.747  1.00 38.19      A       
+ATOM    336  CA  PHE A  41      39.188  28.765  21.118  1.00 39.03      A       
+ATOM    337  HA  PHE A  41      39.036  29.678  20.560  1.00 38.19      A       
+ATOM    338  CB  PHE A  41      39.519  29.111  22.586  1.00 40.23      A       
+ATOM    339  HB1 PHE A  41      40.441  29.673  22.623  1.00 38.19      A       
+ATOM    340  HB2 PHE A  41      39.633  28.198  23.151  1.00 38.19      A       
+ATOM    341  CG  PHE A  41      38.456  29.921  23.228  1.00 38.67      A       
+ATOM    342  CD1 PHE A  41      38.117  31.172  22.658  1.00 32.45      A       
+ATOM    343  HD1 PHE A  41      38.721  31.571  21.857  1.00 38.19      A       
+ATOM    344  CD2 PHE A  41      37.668  29.422  24.256  1.00 38.10      A       
+ATOM    345  HD2 PHE A  41      37.899  28.457  24.681  1.00 38.19      A       
+ATOM    346  CE1 PHE A  41      37.072  31.923  23.176  1.00 24.32      A       
+ATOM    347  HE1 PHE A  41      36.822  32.876  22.734  1.00 38.19      A       
+ATOM    348  CE2 PHE A  41      36.607  30.173  24.768  1.00 36.63      A       
+ATOM    349  HE2 PHE A  41      36.012  29.783  25.581  1.00 38.19      A       
+ATOM    350  CZ  PHE A  41      36.308  31.421  24.220  1.00 27.38      A       
+ATOM    351  HZ  PHE A  41      35.495  32.006  24.622  1.00 38.19      A       
+ATOM    352  C   PHE A  41      40.281  27.989  20.487  1.00 42.16      A       
+ATOM    353  O   PHE A  41      40.913  28.463  19.518  1.00 38.85      A       
+ATOM    354  N   ALA A  42      40.524  26.779  21.025  1.00 34.98      A       
+ATOM    355  HN  ALA A  42      39.961  26.460  21.762  1.00 38.19      A       
+ATOM    356  CA  ALA A  42      41.609  25.932  20.534  1.00 27.28      A       
+ATOM    357  HA  ALA A  42      42.542  26.442  20.723  1.00 38.19      A       
+ATOM    358  CB  ALA A  42      41.631  24.603  21.299  1.00 20.74      A       
+ATOM    359  HB1 ALA A  42      40.743  24.034  21.060  1.00 38.19      A       
+ATOM    360  HB2 ALA A  42      41.656  24.800  22.360  1.00 38.19      A       
+ATOM    361  HB3 ALA A  42      42.508  24.039  21.017  1.00 38.19      A       
+ATOM    362  C   ALA A  42      41.482  25.669  19.041  1.00 44.94      A       
+ATOM    363  O   ALA A  42      42.548  25.543  18.334  1.00 49.67      A       
+ATOM    364  N   GLU A  43      40.346  25.633  18.417  1.00 38.89      A       
+ATOM    365  HN  GLU A  43      39.518  25.769  18.922  1.00 38.19      A       
+ATOM    366  CA  GLU A  43      40.275  25.395  16.978  1.00 35.37      A       
+ATOM    367  HA  GLU A  43      41.188  24.903  16.676  1.00 38.19      A       
+ATOM    368  CB  GLU A  43      39.073  24.478  16.650  1.00 37.04      A       
+ATOM    369  HB1 GLU A  43      38.900  24.488  15.585  1.00 38.19      A       
+ATOM    370  HB2 GLU A  43      38.195  24.849  17.159  1.00 38.19      A       
+ATOM    371  CG  GLU A  43      39.317  23.044  17.086  1.00 69.86      A       
+ATOM    372  HG1 GLU A  43      38.545  22.758  17.785  1.00 38.19      A       
+ATOM    373  HG2 GLU A  43      40.279  22.987  17.572  1.00 38.19      A       
+ATOM    374  CD  GLU A  43      39.303  22.061  15.917  1.00 75.00      A       
+ATOM    375  OE1 GLU A  43      38.319  21.823  15.270  1.00 75.00      A       
+ATOM    376  OE2 GLU A  43      40.500  21.512  15.730  1.00 75.00      A       
+ATOM    377  C   GLU A  43      40.124  26.770  16.154  1.00 49.94      A       
+ATOM    378  O   GLU A  43      40.005  26.687  14.980  1.00 58.49      A       
+ATOM    379  N   LYS A  44      40.302  27.854  16.899  1.00 43.53      A       
+ATOM    380  HN  LYS A  44      40.474  27.750  17.857  1.00 38.19      A       
+ATOM    381  CA  LYS A  44      40.243  29.244  16.311  1.00 40.09      A       
+ATOM    382  HA  LYS A  44      40.226  29.950  17.128  1.00 38.19      A       
+ATOM    383  CB  LYS A  44      41.536  29.465  15.476  1.00 31.27      A       
+ATOM    384  HB1 LYS A  44      41.559  30.484  15.123  1.00 38.19      A       
+ATOM    385  HB2 LYS A  44      41.534  28.791  14.631  1.00 38.19      A       
+ATOM    386  CG  LYS A  44      42.759  29.211  16.284  1.00 36.21      A       
+ATOM    387  HG1 LYS A  44      42.607  28.312  16.862  1.00 38.19      A       
+ATOM    388  HG2 LYS A  44      42.912  30.044  16.954  1.00 38.19      A       
+ATOM    389  CD  LYS A  44      44.009  29.038  15.431  1.00 31.82      A       
+ATOM    390  HD1 LYS A  44      44.332  30.008  15.084  1.00 38.19      A       
+ATOM    391  HD2 LYS A  44      43.772  28.411  14.583  1.00 38.19      A       
+ATOM    392  CE  LYS A  44      45.158  28.386  16.232  1.00 75.00      A       
+ATOM    393  HE1 LYS A  44      45.141  27.319  16.061  1.00 38.19      A       
+ATOM    394  HE2 LYS A  44      45.005  28.584  17.282  1.00 38.19      A       
+ATOM    395  NZ  LYS A  44      46.480  28.921  15.830  1.00 75.00      A       
+ATOM    396  HZ1 LYS A  44      46.522  29.944  16.011  1.00 38.19      A       
+ATOM    397  HZ2 LYS A  44      46.641  28.754  14.816  1.00 38.19      A       
+ATOM    398  HZ3 LYS A  44      47.235  28.453  16.371  1.00 38.19      A       
+ATOM    399  C   LYS A  44      38.962  29.437  15.455  1.00 36.11      A       
+ATOM    400  O   LYS A  44      38.880  30.317  14.603  1.00 23.41      A       
+ATOM    401  N   ILE A  45      37.840  28.870  15.948  1.00 33.37      A       
+ATOM    402  HN  ILE A  45      37.908  28.252  16.707  1.00 38.19      A       
+ATOM    403  CA  ILE A  45      36.563  29.148  15.391  1.00 32.47      A       
+ATOM    404  HA  ILE A  45      36.599  28.912  14.338  1.00 38.19      A       
+ATOM    405  CB  ILE A  45      35.457  28.335  16.022  1.00 37.48      A       
+ATOM    406  HB  ILE A  45      35.357  28.642  17.052  1.00 38.19      A       
+ATOM    407  CG1 ILE A  45      35.742  26.859  15.969  1.00 41.62      A       
+ATOM    408 HG11 ILE A  45      35.254  26.370  16.800  1.00 38.19      A       
+ATOM    409 HG12 ILE A  45      36.808  26.698  16.032  1.00 38.19      A       
+ATOM    410  CG2 ILE A  45      34.153  28.630  15.311  1.00 33.66      A       
+ATOM    411 HG21 ILE A  45      33.940  29.687  15.371  1.00 38.19      A       
+ATOM    412 HG22 ILE A  45      33.354  28.074  15.780  1.00 38.19      A       
+ATOM    413 HG23 ILE A  45      34.235  28.338  14.275  1.00 38.19      A       
+ATOM    414  CD1 ILE A  45      35.245  26.219  14.695  1.00 75.00      A       
+ATOM    415 HD11 ILE A  45      35.500  25.169  14.697  1.00 38.19      A       
+ATOM    416 HD12 ILE A  45      35.707  26.700  13.846  1.00 38.19      A       
+ATOM    417 HD13 ILE A  45      34.173  26.328  14.632  1.00 38.19      A       
+ATOM    418  C   ILE A  45      36.251  30.569  15.550  1.00 37.82      A       
+ATOM    419  O   ILE A  45      35.935  31.305  14.557  1.00 36.02      A       
+ATOM    420  N   VAL A  46      36.311  31.079  16.774  1.00 39.03      A       
+ATOM    421  HN  VAL A  46      36.576  30.502  17.521  1.00 38.19      A       
+ATOM    422  CA  VAL A  46      35.997  32.457  17.030  1.00 33.84      A       
+ATOM    423  HA  VAL A  46      35.062  32.682  16.538  1.00 38.19      A       
+ATOM    424  CB  VAL A  46      35.824  32.727  18.524  1.00 27.67      A       
+ATOM    425  HB  VAL A  46      36.693  33.259  18.878  1.00 38.19      A       
+ATOM    426  CG1 VAL A  46      34.641  33.576  18.746  1.00 23.20      A       
+ATOM    427 HG11 VAL A  46      34.526  33.763  19.803  1.00 38.19      A       
+ATOM    428 HG12 VAL A  46      33.762  33.073  18.371  1.00 38.19      A       
+ATOM    429 HG13 VAL A  46      34.768  34.515  18.228  1.00 38.19      A       
+ATOM    430  CG2 VAL A  46      35.690  31.434  19.339  1.00 22.67      A       
+ATOM    431 HG21 VAL A  46      35.579  31.677  20.385  1.00 38.19      A       
+ATOM    432 HG22 VAL A  46      36.573  30.828  19.201  1.00 38.19      A       
+ATOM    433 HG23 VAL A  46      34.821  30.886  19.002  1.00 38.19      A       
+ATOM    434  C   VAL A  46      37.077  33.386  16.487  1.00 29.23      A       
+ATOM    435  O   VAL A  46      36.655  34.401  15.895  1.00 24.25      A       
+ATOM    436  N   GLY A  47      38.293  32.937  16.389  1.00 32.68      A       
+ATOM    437  HN  GLY A  47      38.510  32.059  16.765  1.00 38.19      A       
+ATOM    438  CA  GLY A  47      39.340  33.722  15.729  1.00 39.01      A       
+ATOM    439  HA1 GLY A  47      39.157  34.772  15.907  1.00 38.19      A       
+ATOM    440  HA2 GLY A  47      39.301  33.535  14.667  1.00 38.19      A       
+ATOM    441  C   GLY A  47      40.686  33.379  16.223  1.00 39.94      A       
+ATOM    442  O   GLY A  47      40.807  32.291  16.909  1.00 49.11      A       
+ATOM    443  N   ASP A  48      41.709  34.137  16.036  1.00 27.51      A       
+ATOM    444  HN  ASP A  48      41.604  34.967  15.525  1.00 38.19      A       
+ATOM    445  CA  ASP A  48      43.017  33.787  16.566  1.00 26.46      A       
+ATOM    446  HA  ASP A  48      42.912  32.876  17.136  1.00 38.19      A       
+ATOM    447  CB  ASP A  48      44.040  33.554  15.411  1.00 34.17      A       
+ATOM    448  HB1 ASP A  48      44.476  34.500  15.124  1.00 38.19      A       
+ATOM    449  HB2 ASP A  48      43.527  33.124  14.565  1.00 38.19      A       
+ATOM    450  CG  ASP A  48      45.166  32.607  15.828  1.00 39.81      A       
+ATOM    451  OD1 ASP A  48      45.286  32.129  16.938  1.00 37.43      A       
+ATOM    452  OD2 ASP A  48      46.022  32.381  14.857  1.00 49.13      A       
+ATOM    453  C   ASP A  48      43.559  34.936  17.525  1.00 35.15      A       
+ATOM    454  O   ASP A  48      43.165  36.027  17.543  1.00 37.82      A       
+ATOM    455  N   GLY A  49      44.481  34.350  18.393  1.00 28.08      A       
+ATOM    456  HN  GLY A  49      44.685  33.395  18.304  1.00 38.19      A       
+ATOM    457  CA  GLY A  49      45.144  35.144  19.433  1.00 22.36      A       
+ATOM    458  HA1 GLY A  49      44.393  35.693  19.983  1.00 38.19      A       
+ATOM    459  HA2 GLY A  49      45.815  35.846  18.962  1.00 38.19      A       
+ATOM    460  C   GLY A  49      45.944  34.275  20.421  1.00 33.54      A       
+ATOM    461  O   GLY A  49      46.427  33.172  20.062  1.00 31.50      A       
+ATOM    462  N   ILE A  50      46.008  34.693  21.629  1.00 24.20      A       
+ATOM    463  HN  ILE A  50      45.569  35.536  21.868  1.00 38.19      A       
+ATOM    464  CA  ILE A  50      46.710  33.954  22.642  1.00 22.47      A       
+ATOM    465  HA  ILE A  50      47.006  33.005  22.219  1.00 38.19      A       
+ATOM    466  CB  ILE A  50      47.989  34.776  22.932  1.00 30.55      A       
+ATOM    467  HB  ILE A  50      48.493  34.332  23.776  1.00 38.19      A       
+ATOM    468  CG1 ILE A  50      47.693  36.216  23.233  1.00 30.15      A       
+ATOM    469 HG11 ILE A  50      46.828  36.527  22.667  1.00 38.19      A       
+ATOM    470 HG12 ILE A  50      48.544  36.820  22.950  1.00 38.19      A       
+ATOM    471  CG2 ILE A  50      48.941  34.732  21.728  1.00 30.58      A       
+ATOM    472 HG21 ILE A  50      48.462  35.188  20.875  1.00 38.19      A       
+ATOM    473 HG22 ILE A  50      49.184  33.705  21.498  1.00 38.19      A       
+ATOM    474 HG23 ILE A  50      49.846  35.271  21.965  1.00 38.19      A       
+ATOM    475  CD1 ILE A  50      47.402  36.469  24.720  1.00 19.36      A       
+ATOM    476 HD11 ILE A  50      47.183  37.516  24.871  1.00 38.19      A       
+ATOM    477 HD12 ILE A  50      48.265  36.194  25.308  1.00 38.19      A       
+ATOM    478 HD13 ILE A  50      46.553  35.875  25.027  1.00 38.19      A       
+ATOM    479  C   ILE A  50      45.819  33.708  23.809  1.00 27.53      A       
+ATOM    480  O   ILE A  50      44.679  34.132  23.772  1.00 30.07      A       
+ATOM    481  N   ALA A  51      46.336  33.106  24.817  1.00 24.45      A       
+ATOM    482  HN  ALA A  51      47.247  32.752  24.748  1.00 38.19      A       
+ATOM    483  CA  ALA A  51      45.618  32.939  26.028  1.00 25.86      A       
+ATOM    484  HA  ALA A  51      44.764  33.599  26.005  1.00 38.19      A       
+ATOM    485  CB  ALA A  51      45.105  31.491  26.238  1.00 25.06      A       
+ATOM    486  HB1 ALA A  51      45.941  30.808  26.230  1.00 38.19      A       
+ATOM    487  HB2 ALA A  51      44.422  31.232  25.442  1.00 38.19      A       
+ATOM    488  HB3 ALA A  51      44.593  31.425  27.187  1.00 38.19      A       
+ATOM    489  C   ALA A  51      46.489  33.326  27.140  1.00 27.45      A       
+ATOM    490  O   ALA A  51      47.653  33.375  26.917  1.00 27.33      A       
+ATOM    491  N   ILE A  52      45.901  33.668  28.250  1.00 23.49      A       
+ATOM    492  HN  ILE A  52      44.922  33.667  28.292  1.00 38.19      A       
+ATOM    493  CA  ILE A  52      46.672  34.059  29.446  1.00 18.69      A       
+ATOM    494  HA  ILE A  52      47.711  33.833  29.260  1.00 38.19      A       
+ATOM    495  CB  ILE A  52      46.541  35.590  29.665  1.00 17.55      A       
+ATOM    496  HB  ILE A  52      45.497  35.824  29.816  1.00 38.19      A       
+ATOM    497  CG1 ILE A  52      47.033  36.300  28.433  1.00 15.21      A       
+ATOM    498 HG11 ILE A  52      46.411  36.029  27.593  1.00 38.19      A       
+ATOM    499 HG12 ILE A  52      48.053  36.004  28.235  1.00 38.19      A       
+ATOM    500  CG2 ILE A  52      47.320  36.042  30.919  1.00  6.26      A       
+ATOM    501 HG21 ILE A  52      48.363  35.782  30.808  1.00 38.19      A       
+ATOM    502 HG22 ILE A  52      46.917  35.549  31.790  1.00 38.19      A       
+ATOM    503 HG23 ILE A  52      47.226  37.111  31.034  1.00 38.19      A       
+ATOM    504  CD1 ILE A  52      47.001  37.804  28.574  1.00 13.94      A       
+ATOM    505 HD11 ILE A  52      45.987  38.128  28.760  1.00 38.19      A       
+ATOM    506 HD12 ILE A  52      47.362  38.259  27.663  1.00 38.19      A       
+ATOM    507 HD13 ILE A  52      47.631  38.102  29.399  1.00 38.19      A       
+ATOM    508  C   ILE A  52      46.216  33.302  30.699  1.00 26.94      A       
+ATOM    509  O   ILE A  52      45.061  33.070  30.993  1.00 29.68      A       
+ATOM    510  N   LYS A  53      47.285  32.864  31.423  1.00 27.70      A       
+ATOM    511  HN  LYS A  53      48.191  33.016  31.079  1.00 38.19      A       
+ATOM    512  CA  LYS A  53      47.118  32.191  32.664  1.00 22.73      A       
+ATOM    513  HA  LYS A  53      46.114  31.794  32.697  1.00 38.19      A       
+ATOM    514  CB  LYS A  53      48.120  31.033  32.705  1.00 35.08      A       
+ATOM    515  HB1 LYS A  53      48.920  31.231  32.007  1.00 38.19      A       
+ATOM    516  HB2 LYS A  53      47.617  30.119  32.423  1.00 38.19      A       
+ATOM    517  CG  LYS A  53      48.723  30.848  34.091  1.00 75.00      A       
+ATOM    518  HG1 LYS A  53      48.526  31.734  34.677  1.00 38.19      A       
+ATOM    519  HG2 LYS A  53      49.790  30.714  33.991  1.00 38.19      A       
+ATOM    520  CD  LYS A  53      48.144  29.637  34.815  1.00 32.94      A       
+ATOM    521  HD1 LYS A  53      48.051  29.872  35.865  1.00 38.19      A       
+ATOM    522  HD2 LYS A  53      48.818  28.803  34.692  1.00 38.19      A       
+ATOM    523  CE  LYS A  53      46.775  29.244  34.273  1.00 75.00      A       
+ATOM    524  HE1 LYS A  53      46.870  29.015  33.222  1.00 38.19      A       
+ATOM    525  HE2 LYS A  53      46.099  30.077  34.399  1.00 38.19      A       
+ATOM    526  NZ  LYS A  53      46.217  28.058  34.980  1.00 38.19      A       
+ATOM    527  HZ1 LYS A  53      46.852  27.243  34.865  1.00 38.19      A       
+ATOM    528  HZ2 LYS A  53      45.285  27.815  34.590  1.00 38.19      A       
+ATOM    529  HZ3 LYS A  53      46.113  28.263  35.995  1.00 38.19      A       
+ATOM    530  C   LYS A  53      47.281  33.200  33.763  1.00 36.60      A       
+ATOM    531  O   LYS A  53      48.424  33.603  34.114  1.00 43.83      A       
+ATOM    532  N   PRO A  54      46.095  33.849  34.191  1.00 27.18      A       
+ATOM    533  CA  PRO A  54      45.900  34.948  35.010  1.00 20.40      A       
+ATOM    534  HA  PRO A  54      46.283  35.849  34.553  1.00 38.19      A       
+ATOM    535  CB  PRO A  54      44.426  35.084  35.208  1.00 20.73      A       
+ATOM    536  HB1 PRO A  54      44.073  35.948  34.665  1.00 38.19      A       
+ATOM    537  HB2 PRO A  54      44.221  35.216  36.260  1.00 38.19      A       
+ATOM    538  CG  PRO A  54      43.784  33.820  34.688  1.00 23.83      A       
+ATOM    539  HG1 PRO A  54      42.992  34.067  33.996  1.00 38.19      A       
+ATOM    540  HG2 PRO A  54      43.394  33.242  35.513  1.00 38.19      A       
+ATOM    541  CD  PRO A  54      44.886  33.044  33.974  1.00 24.26      A       
+ATOM    542  HD1 PRO A  54      44.663  32.961  32.921  1.00 38.19      A       
+ATOM    543  HD2 PRO A  54      44.999  32.063  34.411  1.00 38.19      A       
+ATOM    544  C   PRO A  54      46.552  34.773  36.395  1.00 33.29      A       
+ATOM    545  O   PRO A  54      46.578  33.795  37.062  1.00 34.75      A       
+ATOM    546  N   THR A  55      46.982  35.991  36.771  1.00 32.80      A       
+ATOM    547  HN  THR A  55      46.754  36.773  36.223  1.00 38.19      A       
+ATOM    548  CA  THR A  55      47.790  36.170  37.983  1.00 28.27      A       
+ATOM    549  HA  THR A  55      47.773  35.243  38.538  1.00 38.19      A       
+ATOM    550  CB  THR A  55      49.129  36.308  37.342  1.00 12.52      A       
+ATOM    551  HB  THR A  55      49.010  36.161  36.278  1.00 38.19      A       
+ATOM    552  OG1 THR A  55      49.986  35.311  37.845  1.00 24.27      A       
+ATOM    553  HG1 THR A  55      50.442  35.641  38.622  1.00 38.19      A       
+ATOM    554  CG2 THR A  55      49.685  37.730  37.571  1.00 28.89      A       
+ATOM    555 HG21 THR A  55      50.676  37.800  37.147  1.00 38.19      A       
+ATOM    556 HG22 THR A  55      49.733  37.932  38.631  1.00 38.19      A       
+ATOM    557 HG23 THR A  55      49.036  38.451  37.097  1.00 38.19      A       
+ATOM    558  C   THR A  55      47.254  37.290  38.867  1.00 39.02      A       
+ATOM    559  O   THR A  55      47.794  37.464  39.928  1.00 31.71      A       
+ATOM    560  N   GLY A  56      46.383  38.143  38.260  1.00 31.90      A       
+ATOM    561  HN  GLY A  56      45.994  37.896  37.395  1.00 38.19      A       
+ATOM    562  CA  GLY A  56      46.026  39.411  38.876  1.00 24.31      A       
+ATOM    563  HA1 GLY A  56      46.127  40.197  38.143  1.00 38.19      A       
+ATOM    564  HA2 GLY A  56      46.705  39.605  39.693  1.00 38.19      A       
+ATOM    565  C   GLY A  56      44.623  39.415  39.403  1.00 29.24      A       
+ATOM    566  O   GLY A  56      44.148  38.486  40.021  1.00 26.14      A       
+ATOM    567  N   ASN A  57      43.959  40.583  39.255  1.00 27.01      A       
+ATOM    568  HN  ASN A  57      44.374  41.307  38.743  1.00 38.19      A       
+ATOM    569  CA  ASN A  57      42.632  40.790  39.844  1.00 25.93      A       
+ATOM    570  HA  ASN A  57      42.184  39.821  40.010  1.00 38.19      A       
+ATOM    571  CB  ASN A  57      42.761  41.510  41.164  1.00 30.67      A       
+ATOM    572  HB1 ASN A  57      43.419  40.951  41.812  1.00 38.19      A       
+ATOM    573  HB2 ASN A  57      41.786  41.589  41.624  1.00 38.19      A       
+ATOM    574  CG  ASN A  57      43.331  42.913  40.989  1.00 75.00      A       
+ATOM    575  OD1 ASN A  57      42.769  43.898  41.501  1.00 75.00      A       
+ATOM    576  ND2 ASN A  57      44.393  43.047  40.195  1.00 60.14      A       
+ATOM    577 HD21 ASN A  57      44.754  42.244  39.764  1.00 38.19      A       
+ATOM    578 HD22 ASN A  57      44.771  43.943  40.074  1.00 38.19      A       
+ATOM    579  C   ASN A  57      41.736  41.597  38.900  1.00 35.88      A       
+ATOM    580  O   ASN A  57      40.603  42.004  39.364  1.00 28.74      A       
+ATOM    581  N   LYS A  58      42.086  41.842  37.679  1.00 35.82      A       
+ATOM    582  HN  LYS A  58      42.947  41.507  37.353  1.00 38.19      A       
+ATOM    583  CA  LYS A  58      41.227  42.611  36.772  1.00 28.51      A       
+ATOM    584  HA  LYS A  58      40.210  42.274  36.907  1.00 38.19      A       
+ATOM    585  CB  LYS A  58      41.313  44.127  37.104  1.00 15.16      A       
+ATOM    586  HB1 LYS A  58      41.184  44.267  38.167  1.00 38.19      A       
+ATOM    587  HB2 LYS A  58      40.532  44.653  36.574  1.00 38.19      A       
+ATOM    588  CG  LYS A  58      42.669  44.716  36.696  1.00 20.14      A       
+ATOM    589  HG1 LYS A  58      42.680  44.853  35.625  1.00 38.19      A       
+ATOM    590  HG2 LYS A  58      43.448  44.022  36.977  1.00 38.19      A       
+ATOM    591  CD  LYS A  58      42.948  46.084  37.380  1.00 41.39      A       
+ATOM    592  HD1 LYS A  58      42.022  46.637  37.442  1.00 38.19      A       
+ATOM    593  HD2 LYS A  58      43.657  46.635  36.781  1.00 38.19      A       
+ATOM    594  CE  LYS A  58      43.524  45.913  38.800  1.00 49.99      A       
+ATOM    595  HE1 LYS A  58      44.127  45.017  38.824  1.00 38.19      A       
+ATOM    596  HE2 LYS A  58      42.706  45.814  39.497  1.00 38.19      A       
+ATOM    597  NZ  LYS A  58      44.368  47.078  39.204  1.00 68.23      A       
+ATOM    598  HZ1 LYS A  58      43.802  47.950  39.195  1.00 38.19      A       
+ATOM    599  HZ2 LYS A  58      45.165  47.189  38.545  1.00 38.19      A       
+ATOM    600  HZ3 LYS A  58      44.744  46.931  40.163  1.00 38.19      A       
+ATOM    601  C   LYS A  58      41.650  42.381  35.267  1.00 24.53      A       
+ATOM    602  O   LYS A  58      42.676  41.936  34.922  1.00 22.21      A       
+ATOM    603  N   MET A  59      40.613  42.747  34.477  1.00 22.61      A       
+ATOM    604  HN  MET A  59      39.776  43.041  34.893  1.00 38.19      A       
+ATOM    605  CA  MET A  59      40.707  42.715  33.082  1.00 20.17      A       
+ATOM    606  HA  MET A  59      41.658  42.275  32.818  1.00 38.19      A       
+ATOM    607  CB  MET A  59      39.580  41.933  32.398  1.00 18.83      A       
+ATOM    608  HB1 MET A  59      39.492  42.259  31.372  1.00 38.19      A       
+ATOM    609  HB2 MET A  59      38.651  42.125  32.915  1.00 38.19      A       
+ATOM    610  CG  MET A  59      39.838  40.455  32.408  1.00 24.39      A       
+ATOM    611  HG1 MET A  59      39.934  40.125  33.432  1.00 38.19      A       
+ATOM    612  HG2 MET A  59      40.760  40.260  31.879  1.00 38.19      A       
+ATOM    613  SD  MET A  59      38.525  39.536  31.629  1.00 32.47      A       
+ATOM    614  CE  MET A  59      37.287  39.761  32.948  1.00 25.22      A       
+ATOM    615  HE1 MET A  59      37.647  39.308  33.860  1.00 38.19      A       
+ATOM    616  HE2 MET A  59      36.359  39.293  32.656  1.00 38.19      A       
+ATOM    617  HE3 MET A  59      37.122  40.816  33.110  1.00 38.19      A       
+ATOM    618  C   MET A  59      40.669  44.134  32.587  1.00 28.71      A       
+ATOM    619  O   MET A  59      39.741  44.845  33.005  1.00 33.32      A       
+ATOM    620  N   VAL A  60      41.614  44.539  31.876  1.00 28.74      A       
+ATOM    621  HN  VAL A  60      42.304  43.905  31.593  1.00 38.19      A       
+ATOM    622  CA  VAL A  60      41.709  45.893  31.470  1.00 20.29      A       
+ATOM    623  HA  VAL A  60      40.904  46.441  31.937  1.00 38.19      A       
+ATOM    624  CB  VAL A  60      43.015  46.401  32.027  1.00 28.37      A       
+ATOM    625  HB  VAL A  60      43.627  45.550  32.285  1.00 38.19      A       
+ATOM    626  CG1 VAL A  60      43.758  47.221  30.983  1.00 30.15      A       
+ATOM    627 HG11 VAL A  60      43.964  46.604  30.121  1.00 38.19      A       
+ATOM    628 HG12 VAL A  60      44.688  47.579  31.400  1.00 38.19      A       
+ATOM    629 HG13 VAL A  60      43.150  48.063  30.686  1.00 38.19      A       
+ATOM    630  CG2 VAL A  60      42.722  47.174  33.300  1.00 30.99      A       
+ATOM    631 HG21 VAL A  60      42.059  47.997  33.077  1.00 38.19      A       
+ATOM    632 HG22 VAL A  60      43.646  47.556  33.709  1.00 38.19      A       
+ATOM    633 HG23 VAL A  60      42.254  46.519  34.020  1.00 38.19      A       
+ATOM    634  C   VAL A  60      41.578  46.006  29.974  1.00 19.62      A       
+ATOM    635  O   VAL A  60      41.641  44.997  29.274  1.00 42.25      A       
+ATOM    636  N   ALA A  61      41.378  47.187  29.460  1.00 21.60      A       
+ATOM    637  HN  ALA A  61      41.310  47.964  30.054  1.00 38.19      A       
+ATOM    638  CA  ALA A  61      41.253  47.378  28.021  1.00 24.73      A       
+ATOM    639  HA  ALA A  61      40.629  46.586  27.633  1.00 38.19      A       
+ATOM    640  CB  ALA A  61      40.570  48.710  27.722  1.00 25.19      A       
+ATOM    641  HB1 ALA A  61      40.407  48.800  26.658  1.00 38.19      A       
+ATOM    642  HB2 ALA A  61      41.198  49.521  28.060  1.00 38.19      A       
+ATOM    643  HB3 ALA A  61      39.621  48.751  28.237  1.00 38.19      A       
+ATOM    644  C   ALA A  61      42.617  47.325  27.323  1.00 35.61      A       
+ATOM    645  O   ALA A  61      43.463  48.162  27.517  1.00 36.78      A       
+ATOM    646  N   PRO A  62      42.771  46.293  26.403  1.00 38.98      A       
+ATOM    647  CA  PRO A  62      43.934  45.971  25.627  1.00 26.36      A       
+ATOM    648  HA  PRO A  62      44.803  45.864  26.259  1.00 38.19      A       
+ATOM    649  CB  PRO A  62      43.649  44.664  24.957  1.00 24.56      A       
+ATOM    650  HB1 PRO A  62      44.086  43.865  25.538  1.00 38.19      A       
+ATOM    651  HB2 PRO A  62      44.087  44.669  23.970  1.00 38.19      A       
+ATOM    652  CG  PRO A  62      42.130  44.515  24.882  1.00 30.42      A       
+ATOM    653  HG1 PRO A  62      41.844  43.521  25.192  1.00 38.19      A       
+ATOM    654  HG2 PRO A  62      41.792  44.706  23.874  1.00 38.19      A       
+ATOM    655  CD  PRO A  62      41.542  45.572  25.857  1.00 32.95      A       
+ATOM    656  HD1 PRO A  62      40.998  45.087  26.654  1.00 38.19      A       
+ATOM    657  HD2 PRO A  62      40.899  46.257  25.325  1.00 38.19      A       
+ATOM    658  C   PRO A  62      44.246  46.995  24.516  1.00 30.73      A       
+ATOM    659  O   PRO A  62      45.319  46.943  23.954  1.00 29.71      A       
+ATOM    660  N   VAL A  63      43.224  47.754  24.149  1.00 35.22      A       
+ATOM    661  HN  VAL A  63      42.363  47.652  24.606  1.00 38.19      A       
+ATOM    662  CA  VAL A  63      43.351  48.726  23.093  1.00 35.21      A       
+ATOM    663  HA  VAL A  63      44.399  48.965  22.983  1.00 38.19      A       
+ATOM    664  CB  VAL A  63      42.818  48.216  21.717  1.00 38.09      A       
+ATOM    665  HB  VAL A  63      42.657  49.073  21.078  1.00 38.19      A       
+ATOM    666  CG1 VAL A  63      43.819  47.289  21.026  1.00 35.16      A       
+ATOM    667 HG11 VAL A  63      43.395  46.924  20.102  1.00 38.19      A       
+ATOM    668 HG12 VAL A  63      44.044  46.454  21.673  1.00 38.19      A       
+ATOM    669 HG13 VAL A  63      44.727  47.834  20.814  1.00 38.19      A       
+ATOM    670  CG2 VAL A  63      41.487  47.519  21.915  1.00 39.07      A       
+ATOM    671 HG21 VAL A  63      41.616  46.680  22.582  1.00 38.19      A       
+ATOM    672 HG22 VAL A  63      41.120  47.169  20.961  1.00 38.19      A       
+ATOM    673 HG23 VAL A  63      40.778  48.213  22.341  1.00 38.19      A       
+ATOM    674  C   VAL A  63      42.591  49.991  23.435  1.00 45.13      A       
+ATOM    675  O   VAL A  63      41.841  49.957  24.416  1.00 49.12      A       
+ATOM    676  N   ASP A  64      42.704  51.022  22.623  1.00 41.52      A       
+ATOM    677  HN  ASP A  64      43.344  50.982  21.882  1.00 38.19      A       
+ATOM    678  CA  ASP A  64      41.906  52.208  22.802  1.00 33.68      A       
+ATOM    679  HA  ASP A  64      41.584  52.242  23.832  1.00 38.19      A       
+ATOM    680  CB  ASP A  64      42.610  53.564  22.435  1.00 35.39      A       
+ATOM    681  HB1 ASP A  64      41.899  54.372  22.532  1.00 38.19      A       
+ATOM    682  HB2 ASP A  64      42.964  53.518  21.416  1.00 38.19      A       
+ATOM    683  CG  ASP A  64      43.814  53.856  23.364  1.00 69.32      A       
+ATOM    684  OD1 ASP A  64      43.787  54.097  24.498  1.00 67.95      A       
+ATOM    685  OD2 ASP A  64      44.908  54.095  22.600  1.00 75.00      A       
+ATOM    686  C   ASP A  64      40.699  52.101  21.916  1.00 28.44      A       
+ATOM    687  O   ASP A  64      40.838  51.782  20.711  1.00 31.78      A       
+ATOM    688  N   GLY A  65      39.517  52.327  22.417  1.00 31.98      A       
+ATOM    689  HN  GLY A  65      39.438  52.594  23.356  1.00 38.19      A       
+ATOM    690  CA  GLY A  65      38.326  52.189  21.610  1.00 30.57      A       
+ATOM    691  HA1 GLY A  65      38.424  51.310  20.990  1.00 38.19      A       
+ATOM    692  HA2 GLY A  65      38.232  53.057  20.975  1.00 38.19      A       
+ATOM    693  C   GLY A  65      37.101  52.063  22.435  1.00 40.48      A       
+ATOM    694  O   GLY A  65      36.900  52.726  23.454  1.00 33.83      A       
+ATOM    695  N   THR A  66      36.158  51.206  22.038  1.00 41.29      A       
+ATOM    696  HN  THR A  66      36.338  50.612  21.280  1.00 38.19      A       
+ATOM    697  CA  THR A  66      34.869  51.134  22.709  1.00 38.80      A       
+ATOM    698  HA  THR A  66      34.925  51.729  23.609  1.00 38.19      A       
+ATOM    699  CB  THR A  66      33.832  51.692  21.855  1.00 43.81      A       
+ATOM    700  HB  THR A  66      33.478  50.910  21.200  1.00 38.19      A       
+ATOM    701  OG1 THR A  66      34.380  52.710  21.078  1.00 72.42      A       
+ATOM    702  HG1 THR A  66      34.435  53.516  21.598  1.00 38.19      A       
+ATOM    703  CG2 THR A  66      32.699  52.131  22.711  1.00 55.09      A       
+ATOM    704 HG21 THR A  66      33.040  52.892  23.396  1.00 38.19      A       
+ATOM    705 HG22 THR A  66      32.322  51.286  23.270  1.00 38.19      A       
+ATOM    706 HG23 THR A  66      31.912  52.534  22.091  1.00 38.19      A       
+ATOM    707  C   THR A  66      34.483  49.725  23.074  1.00 33.44      A       
+ATOM    708  O   THR A  66      34.312  48.867  22.243  1.00 36.06      A       
+ATOM    709  N   ILE A  67      34.014  49.579  24.343  1.00 34.13      A       
+ATOM    710  HN  ILE A  67      34.104  50.322  24.977  1.00 38.19      A       
+ATOM    711  CA  ILE A  67      33.415  48.404  24.760  1.00 36.14      A       
+ATOM    712  HA  ILE A  67      34.156  47.619  24.719  1.00 38.19      A       
+ATOM    713  CB  ILE A  67      32.837  48.453  26.207  1.00 40.62      A       
+ATOM    714  HB  ILE A  67      32.288  49.376  26.320  1.00 38.19      A       
+ATOM    715  CG1 ILE A  67      33.926  48.393  27.250  1.00 42.63      A       
+ATOM    716 HG11 ILE A  67      34.197  47.362  27.423  1.00 38.19      A       
+ATOM    717 HG12 ILE A  67      33.562  48.827  28.170  1.00 38.19      A       
+ATOM    718  CG2 ILE A  67      31.869  47.294  26.437  1.00 38.98      A       
+ATOM    719 HG21 ILE A  67      31.456  47.363  27.433  1.00 38.19      A       
+ATOM    720 HG22 ILE A  67      32.396  46.359  26.330  1.00 38.19      A       
+ATOM    721 HG23 ILE A  67      31.070  47.343  25.712  1.00 38.19      A       
+ATOM    722  CD1 ILE A  67      35.179  49.145  26.838  1.00 32.91      A       
+ATOM    723 HD11 ILE A  67      35.574  48.718  25.928  1.00 38.19      A       
+ATOM    724 HD12 ILE A  67      35.918  49.070  27.622  1.00 38.19      A       
+ATOM    725 HD13 ILE A  67      34.936  50.184  26.672  1.00 38.19      A       
+ATOM    726  C   ILE A  67      32.314  48.073  23.832  1.00 39.86      A       
+ATOM    727  O   ILE A  67      31.657  49.006  23.318  1.00 43.19      A       
+ATOM    728  N   GLY A  68      32.128  46.835  23.517  1.00 33.31      A       
+ATOM    729  HN  GLY A  68      32.721  46.151  23.892  1.00 38.19      A       
+ATOM    730  CA  GLY A  68      31.080  46.452  22.640  1.00 27.66      A       
+ATOM    731  HA1 GLY A  68      31.491  45.834  21.854  1.00 38.19      A       
+ATOM    732  HA2 GLY A  68      30.649  47.337  22.199  1.00 38.19      A       
+ATOM    733  C   GLY A  68      30.050  45.723  23.315  1.00 32.15      A       
+ATOM    734  O   GLY A  68      28.897  46.099  23.516  1.00 41.98      A       
+ATOM    735  N   LYS A  69      30.429  44.641  23.955  1.00 25.46      A       
+ATOM    736  HN  LYS A  69      31.365  44.356  23.901  1.00 38.19      A       
+ATOM    737  CA  LYS A  69      29.510  43.874  24.726  1.00 20.80      A       
+ATOM    738  HA  LYS A  69      28.698  44.521  25.019  1.00 38.19      A       
+ATOM    739  CB  LYS A  69      28.969  42.744  23.914  1.00 27.40      A       
+ATOM    740  HB1 LYS A  69      29.772  42.298  23.346  1.00 38.19      A       
+ATOM    741  HB2 LYS A  69      28.219  43.124  23.236  1.00 38.19      A       
+ATOM    742  CG  LYS A  69      28.347  41.681  24.774  1.00 35.64      A       
+ATOM    743  HG1 LYS A  69      28.361  42.014  25.801  1.00 38.19      A       
+ATOM    744  HG2 LYS A  69      28.929  40.776  24.683  1.00 38.19      A       
+ATOM    745  CD  LYS A  69      26.897  41.376  24.373  1.00 75.00      A       
+ATOM    746  HD1 LYS A  69      26.600  42.062  23.593  1.00 38.19      A       
+ATOM    747  HD2 LYS A  69      26.261  41.516  25.235  1.00 38.19      A       
+ATOM    748  CE  LYS A  69      26.725  39.932  23.860  1.00 75.00      A       
+ATOM    749  HE1 LYS A  69      27.694  39.457  23.827  1.00 38.19      A       
+ATOM    750  HE2 LYS A  69      26.306  39.964  22.865  1.00 38.19      A       
+ATOM    751  NZ  LYS A  69      25.823  39.138  24.738  1.00 75.00      A       
+ATOM    752  HZ1 LYS A  69      24.879  39.572  24.768  1.00 38.19      A       
+ATOM    753  HZ2 LYS A  69      26.206  39.101  25.704  1.00 38.19      A       
+ATOM    754  HZ3 LYS A  69      25.736  38.167  24.375  1.00 38.19      A       
+ATOM    755  C   LYS A  69      30.202  43.380  25.950  1.00 28.71      A       
+ATOM    756  O   LYS A  69      31.376  43.153  26.041  1.00 37.57      A       
+ATOM    757  N   ILE A  70      29.306  43.153  26.950  1.00 26.14      A       
+ATOM    758  HN  ILE A  70      28.363  43.380  26.808  1.00 38.19      A       
+ATOM    759  CA  ILE A  70      29.704  42.593  28.198  1.00 17.94      A       
+ATOM    760  HA  ILE A  70      30.663  42.115  28.060  1.00 38.19      A       
+ATOM    761  CB  ILE A  70      29.861  43.684  29.237  1.00 17.61      A       
+ATOM    762  HB  ILE A  70      28.876  44.012  29.534  1.00 38.19      A       
+ATOM    763  CG1 ILE A  70      30.598  44.847  28.563  1.00 23.54      A       
+ATOM    764 HG11 ILE A  70      29.879  45.496  28.083  1.00 38.19      A       
+ATOM    765 HG12 ILE A  70      31.279  44.456  27.822  1.00 38.19      A       
+ATOM    766  CG2 ILE A  70      30.548  43.115  30.446  1.00 14.96      A       
+ATOM    767 HG21 ILE A  70      31.521  42.742  30.165  1.00 38.19      A       
+ATOM    768 HG22 ILE A  70      29.955  42.307  30.851  1.00 38.19      A       
+ATOM    769 HG23 ILE A  70      30.661  43.887  31.193  1.00 38.19      A       
+ATOM    770  CD1 ILE A  70      31.404  45.687  29.553  1.00 26.56      A       
+ATOM    771 HD11 ILE A  70      32.113  45.054  30.066  1.00 38.19      A       
+ATOM    772 HD12 ILE A  70      30.735  46.135  30.273  1.00 38.19      A       
+ATOM    773 HD13 ILE A  70      31.932  46.463  29.020  1.00 38.19      A       
+ATOM    774  C   ILE A  70      28.724  41.586  28.621  1.00 26.60      A       
+ATOM    775  O   ILE A  70      27.568  41.768  28.940  1.00 40.08      A       
+ATOM    776  N   PHE A  71      29.155  40.329  28.536  1.00 26.67      A       
+ATOM    777  HN  PHE A  71      30.071  40.158  28.233  1.00 38.19      A       
+ATOM    778  CA  PHE A  71      28.318  39.227  28.876  1.00 29.81      A       
+ATOM    779  HA  PHE A  71      27.541  39.152  28.130  1.00 38.19      A       
+ATOM    780  CB  PHE A  71      29.104  37.926  28.914  1.00 34.40      A       
+ATOM    781  HB1 PHE A  71      28.521  37.171  29.420  1.00 38.19      A       
+ATOM    782  HB2 PHE A  71      30.029  38.083  29.448  1.00 38.19      A       
+ATOM    783  CG  PHE A  71      29.433  37.426  27.564  1.00 33.84      A       
+ATOM    784  CD1 PHE A  71      29.484  38.379  26.496  1.00 36.85      A       
+ATOM    785  HD1 PHE A  71      29.378  39.430  26.718  1.00 38.19      A       
+ATOM    786  CD2 PHE A  71      29.570  36.095  27.266  1.00 35.97      A       
+ATOM    787  HD2 PHE A  71      29.509  35.364  28.059  1.00 38.19      A       
+ATOM    788  CE1 PHE A  71      29.746  37.970  25.201  1.00 37.33      A       
+ATOM    789  HE1 PHE A  71      29.782  38.697  24.403  1.00 38.19      A       
+ATOM    790  CE2 PHE A  71      29.803  35.677  25.938  1.00 36.04      A       
+ATOM    791  HE2 PHE A  71      29.908  34.626  25.712  1.00 38.19      A       
+ATOM    792  CZ  PHE A  71      29.881  36.621  24.914  1.00 32.06      A       
+ATOM    793  HZ  PHE A  71      30.085  36.303  23.902  1.00 38.19      A       
+ATOM    794  C   PHE A  71      27.704  39.508  30.183  1.00 31.72      A       
+ATOM    795  O   PHE A  71      28.251  40.167  31.065  1.00 23.71      A       
+ATOM    796  N   GLU A  72      26.502  39.074  30.224  1.00 43.94      A       
+ATOM    797  HN  GLU A  72      26.124  38.636  29.433  1.00 38.19      A       
+ATOM    798  CA  GLU A  72      25.657  39.216  31.459  1.00 47.38      A       
+ATOM    799  HA  GLU A  72      25.335  40.245  31.526  1.00 38.19      A       
+ATOM    800  CB  GLU A  72      24.348  38.252  31.357  1.00 49.04      A       
+ATOM    801  HB1 GLU A  72      24.249  37.700  32.280  1.00 38.19      A       
+ATOM    802  HB2 GLU A  72      24.492  37.555  30.545  1.00 38.19      A       
+ATOM    803  CG  GLU A  72      23.040  39.017  31.105  1.00 38.19      A       
+ATOM    804  HG1 GLU A  72      23.137  39.560  30.176  1.00 38.19      A       
+ATOM    805  HG2 GLU A  72      22.897  39.720  31.911  1.00 38.19      A       
+ATOM    806  CD  GLU A  72      21.791  38.128  31.018  1.00 38.19      A       
+ATOM    807  OE1 GLU A  72      21.438  37.692  29.894  1.00 38.19      A       
+ATOM    808  OE2 GLU A  72      21.144  37.894  32.070  1.00 38.19      A       
+ATOM    809  C   GLU A  72      26.494  38.862  32.729  1.00 55.99      A       
+ATOM    810  O   GLU A  72      26.679  39.646  33.556  1.00 67.10      A       
+ATOM    811  N   THR A  73      26.958  37.567  32.617  1.00 37.73      A       
+ATOM    812  HN  THR A  73      26.721  37.039  31.826  1.00 38.19      A       
+ATOM    813  CA  THR A  73      27.808  36.956  33.673  1.00 24.95      A       
+ATOM    814  HA  THR A  73      27.208  36.852  34.564  1.00 38.19      A       
+ATOM    815  CB  THR A  73      28.201  35.574  33.208  1.00 28.72      A       
+ATOM    816  HB  THR A  73      29.261  35.575  33.000  1.00 38.19      A       
+ATOM    817  OG1 THR A  73      27.508  35.236  32.023  1.00 75.00      A       
+ATOM    818  HG1 THR A  73      26.579  35.102  32.222  1.00 38.19      A       
+ATOM    819  CG2 THR A  73      27.936  34.558  34.296  1.00 67.15      A       
+ATOM    820 HG21 THR A  73      28.501  34.821  35.179  1.00 38.19      A       
+ATOM    821 HG22 THR A  73      28.239  33.579  33.955  1.00 38.19      A       
+ATOM    822 HG23 THR A  73      26.883  34.548  34.532  1.00 38.19      A       
+ATOM    823  C   THR A  73      29.060  37.789  34.009  1.00 35.69      A       
+ATOM    824  O   THR A  73      29.696  37.496  35.030  1.00 33.53      A       
+ATOM    825  N   ASN A  74      29.416  38.739  33.167  1.00 33.67      A       
+ATOM    826  HN  ASN A  74      28.906  38.861  32.339  1.00 38.19      A       
+ATOM    827  CA  ASN A  74      30.563  39.622  33.442  1.00 26.27      A       
+ATOM    828  HA  ASN A  74      30.508  40.460  32.765  1.00 38.19      A       
+ATOM    829  CB  ASN A  74      30.597  40.133  34.863  1.00 22.70      A       
+ATOM    830  HB1 ASN A  74      31.529  40.651  35.033  1.00 38.19      A       
+ATOM    831  HB2 ASN A  74      30.520  39.299  35.545  1.00 38.19      A       
+ATOM    832  CG  ASN A  74      29.465  41.083  35.137  1.00 47.69      A       
+ATOM    833  OD1 ASN A  74      29.231  42.048  34.419  1.00 17.91      A       
+ATOM    834  ND2 ASN A  74      28.822  40.807  36.302  1.00 58.07      A       
+ATOM    835 HD21 ASN A  74      29.138  40.048  36.837  1.00 38.19      A       
+ATOM    836 HD22 ASN A  74      28.070  41.378  36.563  1.00 38.19      A       
+ATOM    837  C   ASN A  74      31.896  38.891  33.226  1.00 31.30      A       
+ATOM    838  O   ASN A  74      32.930  39.502  33.660  1.00 36.39      A       
+ATOM    839  N   HIS A  75      32.011  37.730  32.695  1.00 24.27      A       
+ATOM    840  HN  HIS A  75      31.212  37.277  32.357  1.00 38.19      A       
+ATOM    841  CA  HIS A  75      33.309  37.068  32.585  1.00 24.47      A       
+ATOM    842  HA  HIS A  75      33.962  37.487  33.336  1.00 38.19      A       
+ATOM    843  CB  HIS A  75      33.169  35.570  32.822  1.00 27.41      A       
+ATOM    844  HB1 HIS A  75      32.618  35.402  33.736  1.00 38.19      A       
+ATOM    845  HB2 HIS A  75      34.151  35.128  32.908  1.00 38.19      A       
+ATOM    846  CG  HIS A  75      32.445  34.885  31.711  1.00 31.93      A       
+ATOM    847  ND1 HIS A  75      31.077  34.907  31.620  1.00 35.69      A       
+ATOM    848  HD1 HIS A  75      30.465  35.360  32.237  1.00 38.19      A       
+ATOM    849  CD2 HIS A  75      32.906  34.153  30.666  1.00 41.48      A       
+ATOM    850  HD2 HIS A  75      33.940  33.942  30.438  1.00 38.19      A       
+ATOM    851  CE1 HIS A  75      30.709  34.206  30.551  1.00 37.70      A       
+ATOM    852  HE1 HIS A  75      29.694  34.047  30.218  1.00 38.19      A       
+ATOM    853  NE2 HIS A  75      31.817  33.732  29.954  1.00 41.92      A       
+ATOM    854  HE2 HIS A  75      31.831  33.075  29.227  1.00 38.19      A       
+ATOM    855  C   HIS A  75      33.945  37.296  31.171  1.00 39.23      A       
+ATOM    856  O   HIS A  75      35.081  36.805  30.968  1.00 47.60      A       
+ATOM    857  N   ALA A  76      33.282  38.007  30.301  1.00 25.20      A       
+ATOM    858  HN  ALA A  76      32.449  38.444  30.575  1.00 38.19      A       
+ATOM    859  CA  ALA A  76      33.754  38.169  28.925  1.00 20.54      A       
+ATOM    860  HA  ALA A  76      34.833  38.117  28.931  1.00 38.19      A       
+ATOM    861  CB  ALA A  76      33.240  37.034  28.105  1.00 22.55      A       
+ATOM    862  HB1 ALA A  76      33.533  36.099  28.559  1.00 38.19      A       
+ATOM    863  HB2 ALA A  76      33.651  37.095  27.107  1.00 38.19      A       
+ATOM    864  HB3 ALA A  76      32.163  37.087  28.054  1.00 38.19      A       
+ATOM    865  C   ALA A  76      33.340  39.465  28.369  1.00 23.20      A       
+ATOM    866  O   ALA A  76      32.209  39.961  28.646  1.00 32.06      A       
+ATOM    867  N   PHE A  77      34.062  40.039  27.441  1.00 12.73      A       
+ATOM    868  HN  PHE A  77      34.899  39.617  27.158  1.00 38.19      A       
+ATOM    869  CA  PHE A  77      33.654  41.284  26.823  1.00 12.92      A       
+ATOM    870  HA  PHE A  77      32.590  41.238  26.645  1.00 38.19      A       
+ATOM    871  CB  PHE A  77      33.960  42.454  27.769  1.00 10.17      A       
+ATOM    872  HB1 PHE A  77      33.565  42.232  28.749  1.00 38.19      A       
+ATOM    873  HB2 PHE A  77      33.493  43.351  27.387  1.00 38.19      A       
+ATOM    874  CG  PHE A  77      35.467  42.722  27.913  1.00 25.27      A       
+ATOM    875  CD1 PHE A  77      36.235  42.059  28.884  1.00 29.75      A       
+ATOM    876  HD1 PHE A  77      35.768  41.317  29.515  1.00 38.19      A       
+ATOM    877  CD2 PHE A  77      36.093  43.681  27.104  1.00 24.76      A       
+ATOM    878  HD2 PHE A  77      35.510  44.220  26.373  1.00 38.19      A       
+ATOM    879  CE1 PHE A  77      37.614  42.305  28.995  1.00 29.34      A       
+ATOM    880  HE1 PHE A  77      38.196  41.791  29.746  1.00 38.19      A       
+ATOM    881  CE2 PHE A  77      37.464  43.946  27.241  1.00 18.41      A       
+ATOM    882  HE2 PHE A  77      37.937  44.684  26.609  1.00 38.19      A       
+ATOM    883  CZ  PHE A  77      38.217  43.254  28.182  1.00 18.66      A       
+ATOM    884  HZ  PHE A  77      39.277  43.442  28.268  1.00 38.19      A       
+ATOM    885  C   PHE A  77      34.372  41.443  25.498  1.00 27.85      A       
+ATOM    886  O   PHE A  77      35.363  40.820  25.158  1.00 24.35      A       
+ATOM    887  N   SER A  78      33.713  42.384  24.713  1.00 22.81      A       
+ATOM    888  HN  SER A  78      32.928  42.844  25.076  1.00 38.19      A       
+ATOM    889  CA  SER A  78      34.168  42.709  23.345  1.00 24.37      A       
+ATOM    890  HA  SER A  78      35.009  42.073  23.112  1.00 38.19      A       
+ATOM    891  CB  SER A  78      33.110  42.503  22.343  1.00 27.58      A       
+ATOM    892  HB1 SER A  78      33.170  43.281  21.597  1.00 38.19      A       
+ATOM    893  HB2 SER A  78      32.146  42.544  22.827  1.00 38.19      A       
+ATOM    894  OG  SER A  78      33.236  41.294  21.726  1.00 72.95      A       
+ATOM    895  HG  SER A  78      34.002  40.834  22.076  1.00 38.19      A       
+ATOM    896  C   SER A  78      34.592  44.078  23.299  1.00 30.57      A       
+ATOM    897  O   SER A  78      34.208  45.042  24.000  1.00 25.95      A       
+ATOM    898  N   ILE A  79      35.495  44.363  22.330  1.00 28.79      A       
+ATOM    899  HN  ILE A  79      35.818  43.640  21.755  1.00 38.19      A       
+ATOM    900  CA  ILE A  79      36.005  45.731  22.116  1.00 26.82      A       
+ATOM    901  HA  ILE A  79      35.186  46.420  22.263  1.00 38.19      A       
+ATOM    902  CB  ILE A  79      37.132  46.070  23.167  1.00 23.91      A       
+ATOM    903  HB  ILE A  79      36.823  45.691  24.130  1.00 38.19      A       
+ATOM    904  CG1 ILE A  79      37.211  47.552  23.227  1.00 25.33      A       
+ATOM    905 HG11 ILE A  79      36.377  47.931  23.799  1.00 38.19      A       
+ATOM    906 HG12 ILE A  79      37.169  47.951  22.224  1.00 38.19      A       
+ATOM    907  CG2 ILE A  79      38.465  45.413  22.798  1.00 37.29      A       
+ATOM    908 HG21 ILE A  79      38.781  45.761  21.826  1.00 38.19      A       
+ATOM    909 HG22 ILE A  79      38.342  44.341  22.774  1.00 38.19      A       
+ATOM    910 HG23 ILE A  79      39.211  45.674  23.535  1.00 38.19      A       
+ATOM    911  CD1 ILE A  79      38.507  48.056  23.889  1.00 29.84      A       
+ATOM    912 HD11 ILE A  79      39.359  47.710  23.323  1.00 38.19      A       
+ATOM    913 HD12 ILE A  79      38.567  47.675  24.898  1.00 38.19      A       
+ATOM    914 HD13 ILE A  79      38.503  49.136  23.912  1.00 38.19      A       
+ATOM    915  C   ILE A  79      36.452  45.828  20.796  1.00 26.78      A       
+ATOM    916  O   ILE A  79      37.022  45.031  19.978  1.00 29.25      A       
+ATOM    917  N   GLU A  80      36.333  47.118  20.220  1.00 36.81      A       
+ATOM    918  HN  GLU A  80      35.825  47.806  20.695  1.00 38.19      A       
+ATOM    919  CA  GLU A  80      36.942  47.446  18.951  1.00 35.83      A       
+ATOM    920  HA  GLU A  80      37.826  46.838  18.841  1.00 38.19      A       
+ATOM    921  CB  GLU A  80      35.924  47.128  17.724  1.00 36.24      A       
+ATOM    922  HB1 GLU A  80      35.243  46.342  18.019  1.00 38.19      A       
+ATOM    923  HB2 GLU A  80      36.496  46.801  16.868  1.00 38.19      A       
+ATOM    924  CG  GLU A  80      35.073  48.401  17.309  1.00 64.12      A       
+ATOM    925  HG1 GLU A  80      35.610  48.946  16.545  1.00 38.19      A       
+ATOM    926  HG2 GLU A  80      34.944  49.030  18.175  1.00 38.19      A       
+ATOM    927  CD  GLU A  80      33.705  48.034  16.774  1.00 75.00      A       
+ATOM    928  OE1 GLU A  80      33.122  47.114  17.625  1.00 75.00      A       
+ATOM    929  OE2 GLU A  80      33.340  48.145  15.624  1.00 75.00      A       
+ATOM    930  C   GLU A  80      37.357  48.902  19.009  1.00 38.77      A       
+ATOM    931  O   GLU A  80      37.082  49.865  19.337  1.00 53.02      A       
+ATOM    932  N   SER A  81      38.821  48.658  18.684  1.00 30.96      A       
+ATOM    933  HN  SER A  81      39.118  47.749  18.471  1.00 38.19      A       
+ATOM    934  CA  SER A  81      39.779  49.727  18.682  1.00 29.07      A       
+ATOM    935  HA  SER A  81      39.735  50.215  19.644  1.00 38.19      A       
+ATOM    936  CB  SER A  81      41.129  49.249  18.449  1.00 38.42      A       
+ATOM    937  HB1 SER A  81      41.320  48.399  19.086  1.00 38.19      A       
+ATOM    938  HB2 SER A  81      41.828  50.037  18.686  1.00 38.19      A       
+ATOM    939  OG  SER A  81      41.327  48.864  17.121  1.00 36.62      A       
+ATOM    940  HG  SER A  81      41.783  48.019  17.098  1.00 38.19      A       
+ATOM    941  C   SER A  81      39.448  50.727  17.611  1.00 32.70      A       
+ATOM    942  O   SER A  81      38.815  50.373  16.617  1.00 30.27      A       
+ATOM    943  N   ASP A  82      40.113  51.846  17.727  1.00 35.27      A       
+ATOM    944  HN  ASP A  82      40.715  51.968  18.491  1.00 38.19      A       
+ATOM    945  CA  ASP A  82      39.983  52.916  16.747  1.00 41.46      A       
+ATOM    946  HA  ASP A  82      38.930  53.089  16.579  1.00 38.19      A       
+ATOM    947  CB  ASP A  82      40.593  54.140  17.369  1.00 45.71      A       
+ATOM    948  HB1 ASP A  82      40.549  54.958  16.665  1.00 38.19      A       
+ATOM    949  HB2 ASP A  82      41.624  53.937  17.619  1.00 38.19      A       
+ATOM    950  CG  ASP A  82      39.879  54.537  18.599  1.00 69.29      A       
+ATOM    951  OD1 ASP A  82      38.779  53.956  18.874  1.00 69.85      A       
+ATOM    952  OD2 ASP A  82      40.400  55.451  19.285  1.00 70.19      A       
+ATOM    953  C   ASP A  82      40.650  52.522  15.404  1.00 46.75      A       
+ATOM    954  O   ASP A  82      40.244  53.070  14.374  1.00 50.14      A       
+ATOM    955  N   SER A  83      41.503  51.584  15.467  1.00 41.90      A       
+ATOM    956  HN  SER A  83      41.692  51.166  16.333  1.00 38.19      A       
+ATOM    957  CA  SER A  83      42.214  51.110  14.271  1.00 38.05      A       
+ATOM    958  HA  SER A  83      42.476  51.971  13.674  1.00 38.19      A       
+ATOM    959  CB  SER A  83      43.446  50.427  14.706  1.00 41.09      A       
+ATOM    960  HB1 SER A  83      44.252  51.144  14.755  1.00 38.19      A       
+ATOM    961  HB2 SER A  83      43.696  49.655  13.994  1.00 38.19      A       
+ATOM    962  OG  SER A  83      43.295  49.838  15.967  1.00 36.56      A       
+ATOM    963  HG  SER A  83      42.457  50.109  16.348  1.00 38.19      A       
+ATOM    964  C   SER A  83      41.339  50.200  13.455  1.00 47.43      A       
+ATOM    965  O   SER A  83      41.693  49.883  12.324  1.00 55.20      A       
+ATOM    966  N   GLY A  84      40.282  49.663  14.061  1.00 36.96      A       
+ATOM    967  HN  GLY A  84      40.086  49.911  14.989  1.00 38.19      A       
+ATOM    968  CA  GLY A  84      39.423  48.725  13.370  1.00 31.44      A       
+ATOM    969  HA1 GLY A  84      39.605  48.801  12.308  1.00 38.19      A       
+ATOM    970  HA2 GLY A  84      38.393  48.985  13.566  1.00 38.19      A       
+ATOM    971  C   GLY A  84      39.657  47.290  13.805  1.00 44.72      A       
+ATOM    972  O   GLY A  84      39.276  46.327  13.009  1.00 42.37      A       
+ATOM    973  N   VAL A  85      40.145  46.982  14.986  1.00 45.13      A       
+ATOM    974  HN  VAL A  85      40.403  47.702  15.599  1.00 38.19      A       
+ATOM    975  CA  VAL A  85      40.313  45.597  15.407  1.00 40.91      A       
+ATOM    976  HA  VAL A  85      40.161  44.964  14.545  1.00 38.19      A       
+ATOM    977  CB  VAL A  85      41.713  45.296  15.989  1.00 43.50      A       
+ATOM    978  HB  VAL A  85      41.832  45.868  16.897  1.00 38.19      A       
+ATOM    979  CG1 VAL A  85      41.870  43.833  16.333  1.00 43.23      A       
+ATOM    980 HG11 VAL A  85      41.132  43.555  17.071  1.00 38.19      A       
+ATOM    981 HG12 VAL A  85      42.859  43.662  16.733  1.00 38.19      A       
+ATOM    982 HG13 VAL A  85      41.734  43.235  15.444  1.00 38.19      A       
+ATOM    983  CG2 VAL A  85      42.794  45.729  15.016  1.00 42.46      A       
+ATOM    984 HG21 VAL A  85      43.765  45.522  15.441  1.00 38.19      A       
+ATOM    985 HG22 VAL A  85      42.703  46.788  14.825  1.00 38.19      A       
+ATOM    986 HG23 VAL A  85      42.684  45.185  14.089  1.00 38.19      A       
+ATOM    987  C   VAL A  85      39.308  45.239  16.455  1.00 38.84      A       
+ATOM    988  O   VAL A  85      38.905  45.904  17.370  1.00 38.86      A       
+ATOM    989  N   GLU A  86      38.707  44.044  16.267  1.00 36.33      A       
+ATOM    990  HN  GLU A  86      38.964  43.495  15.497  1.00 38.19      A       
+ATOM    991  CA  GLU A  86      37.729  43.573  17.146  1.00 30.91      A       
+ATOM    992  HA  GLU A  86      37.455  44.382  17.807  1.00 38.19      A       
+ATOM    993  CB  GLU A  86      36.501  43.061  16.455  1.00 32.71      A       
+ATOM    994  HB1 GLU A  86      35.904  42.502  17.159  1.00 38.19      A       
+ATOM    995  HB2 GLU A  86      36.797  42.413  15.642  1.00 38.19      A       
+ATOM    996  CG  GLU A  86      35.658  44.185  15.900  1.00 43.06      A       
+ATOM    997  HG1 GLU A  86      36.280  44.818  15.283  1.00 38.19      A       
+ATOM    998  HG2 GLU A  86      35.264  44.761  16.723  1.00 38.19      A       
+ATOM    999  CD  GLU A  86      34.514  43.686  15.076  1.00 75.00      A       
+ATOM   1000  OE1 GLU A  86      33.822  42.748  15.486  1.00 75.00      A       
+ATOM   1001  OE2 GLU A  86      34.439  44.208  13.898  1.00 75.00      A       
+ATOM   1002  C   GLU A  86      38.308  42.426  17.973  1.00 31.25      A       
+ATOM   1003  O   GLU A  86      38.600  41.547  17.425  1.00 25.88      A       
+ATOM   1004  N   LEU A  87      38.441  42.709  19.228  1.00 27.54      A       
+ATOM   1005  HN  LEU A  87      38.149  43.585  19.554  1.00 38.19      A       
+ATOM   1006  CA  LEU A  87      38.995  41.790  20.133  1.00 29.16      A       
+ATOM   1007  HA  LEU A  87      39.484  41.013  19.564  1.00 38.19      A       
+ATOM   1008  CB  LEU A  87      40.001  42.419  21.095  1.00 29.34      A       
+ATOM   1009  HB1 LEU A  87      40.260  41.700  21.857  1.00 38.19      A       
+ATOM   1010  HB2 LEU A  87      39.550  43.286  21.559  1.00 38.19      A       
+ATOM   1011  CG  LEU A  87      41.254  42.837  20.377  1.00 26.45      A       
+ATOM   1012  HG  LEU A  87      41.230  42.458  19.367  1.00 38.19      A       
+ATOM   1013  CD1 LEU A  87      41.360  44.343  20.314  1.00 27.20      A       
+ATOM   1014 HD11 LEU A  87      41.407  44.742  21.316  1.00 38.19      A       
+ATOM   1015 HD12 LEU A  87      40.494  44.745  19.807  1.00 38.19      A       
+ATOM   1016 HD13 LEU A  87      42.254  44.620  19.775  1.00 38.19      A       
+ATOM   1017  CD2 LEU A  87      42.413  42.230  21.072  1.00 25.55      A       
+ATOM   1018 HD21 LEU A  87      43.323  42.492  20.552  1.00 38.19      A       
+ATOM   1019 HD22 LEU A  87      42.302  41.155  21.086  1.00 38.19      A       
+ATOM   1020 HD23 LEU A  87      42.459  42.602  22.084  1.00 38.19      A       
+ATOM   1021  C   LEU A  87      37.851  41.131  21.041  1.00 32.58      A       
+ATOM   1022  O   LEU A  87      36.946  41.878  21.327  1.00 36.70      A       
+ATOM   1023  N   PHE A  88      38.082  39.923  21.509  1.00 22.77      A       
+ATOM   1024  HN  PHE A  88      38.900  39.456  21.243  1.00 38.19      A       
+ATOM   1025  CA  PHE A  88      37.130  39.248  22.434  1.00 12.37      A       
+ATOM   1026  HA  PHE A  88      36.394  39.973  22.748  1.00 38.19      A       
+ATOM   1027  CB  PHE A  88      36.444  38.150  21.643  1.00 19.41      A       
+ATOM   1028  HB1 PHE A  88      37.192  37.484  21.239  1.00 38.19      A       
+ATOM   1029  HB2 PHE A  88      35.882  38.592  20.832  1.00 38.19      A       
+ATOM   1030  CG  PHE A  88      35.475  37.313  22.496  1.00 17.07      A       
+ATOM   1031  CD1 PHE A  88      34.449  37.866  23.229  1.00 20.38      A       
+ATOM   1032  HD1 PHE A  88      34.385  38.939  23.328  1.00 38.19      A       
+ATOM   1033  CD2 PHE A  88      35.539  35.894  22.377  1.00 22.90      A       
+ATOM   1034  HD2 PHE A  88      36.307  35.446  21.764  1.00 38.19      A       
+ATOM   1035  CE1 PHE A  88      33.534  37.034  23.924  1.00 14.50      A       
+ATOM   1036  HE1 PHE A  88      32.731  37.475  24.498  1.00 38.19      A       
+ATOM   1037  CE2 PHE A  88      34.636  35.087  23.050  1.00 26.96      A       
+ATOM   1038  HE2 PHE A  88      34.722  34.012  22.986  1.00 38.19      A       
+ATOM   1039  CZ  PHE A  88      33.649  35.653  23.837  1.00 15.33      A       
+ATOM   1040  HZ  PHE A  88      32.953  35.020  24.366  1.00 38.19      A       
+ATOM   1041  C   PHE A  88      37.847  38.777  23.588  1.00 25.59      A       
+ATOM   1042  O   PHE A  88      38.591  37.713  23.370  1.00 24.13      A       
+ATOM   1043  N   VAL A  89      37.748  39.311  24.748  1.00 18.54      A       
+ATOM   1044  HN  VAL A  89      37.220  40.129  24.856  1.00 38.19      A       
+ATOM   1045  CA  VAL A  89      38.389  38.742  25.886  1.00  9.48      A       
+ATOM   1046  HA  VAL A  89      39.152  38.063  25.536  1.00 38.19      A       
+ATOM   1047  CB  VAL A  89      39.040  39.756  26.805  1.00 24.97      A       
+ATOM   1048  HB  VAL A  89      38.263  40.359  27.249  1.00 38.19      A       
+ATOM   1049  CG1 VAL A  89      39.779  39.056  27.915  1.00 29.91      A       
+ATOM   1050 HG11 VAL A  89      40.532  38.408  27.493  1.00 38.19      A       
+ATOM   1051 HG12 VAL A  89      39.082  38.470  28.496  1.00 38.19      A       
+ATOM   1052 HG13 VAL A  89      40.251  39.790  28.551  1.00 38.19      A       
+ATOM   1053  CG2 VAL A  89      39.939  40.686  25.950  1.00 18.35      A       
+ATOM   1054 HG21 VAL A  89      39.336  41.183  25.204  1.00 38.19      A       
+ATOM   1055 HG22 VAL A  89      40.704  40.100  25.462  1.00 38.19      A       
+ATOM   1056 HG23 VAL A  89      40.404  41.423  26.588  1.00 38.19      A       
+ATOM   1057  C   VAL A  89      37.403  37.978  26.737  1.00 16.64      A       
+ATOM   1058  O   VAL A  89      36.274  38.340  27.027  1.00 28.69      A       
+ATOM   1059  N   NEP A  90      37.771  36.700  27.059  1.00 13.48      A       
+ATOM   1060  HN  NEP A  90      38.683  36.402  26.862  1.00 38.19      A       
+ATOM   1061  CA  NEP A  90      36.833  35.764  27.696  1.00 22.38      A       
+ATOM   1062  HA  NEP A  90      36.008  36.336  28.094  1.00 38.19      A       
+ATOM   1063  CB  NEP A  90      36.307  34.772  26.676  1.00 24.70      A       
+ATOM   1064  HB1 NEP A  90      37.136  34.219  26.259  1.00 38.19      A       
+ATOM   1065  HB2 NEP A  90      35.800  35.307  25.887  1.00 38.19      A       
+ATOM   1066  CG  NEP A  90      35.339  33.783  27.266  1.00 27.03      A       
+ATOM   1067  ND1 NEP A  90      35.734  32.731  28.061  1.00 23.32      A       
+ATOM   1068  HD1 NEP A  90      36.649  32.543  28.357  1.00 38.19      A       
+ATOM   1069  CD2 NEP A  90      34.002  33.644  27.054  1.00 25.76      A       
+ATOM   1070  HD2 NEP A  90      33.382  34.279  26.438  1.00 38.19      A       
+ATOM   1071  CE1 NEP A  90      34.663  31.999  28.367  1.00 25.93      A       
+ATOM   1072  HE1 NEP A  90      34.657  31.116  28.989  1.00 38.19      A       
+ATOM   1073  NE2 NEP A  90      33.589  32.551  27.768  1.00 25.96      A       
+ATOM   1074  HE2 NEP A  90      32.656  32.299  27.936  1.00 38.19      A       
+ATOM   1075  C   NEP A  90      37.517  35.055  28.814  1.00 23.83      A       
+ATOM   1076  O   NEP A  90      38.339  34.178  28.563  1.00 25.34      A       
+ATOM   1077  N   PHE A  91      37.126  35.360  30.014  1.00 24.76      A       
+ATOM   1078  HN  PHE A  91      36.371  35.975  30.130  1.00 38.19      A       
+ATOM   1079  CA  PHE A  91      37.778  34.814  31.182  1.00 29.64      A       
+ATOM   1080  HA  PHE A  91      38.842  34.804  30.997  1.00 38.19      A       
+ATOM   1081  CB  PHE A  91      37.495  35.635  32.426  1.00 35.44      A       
+ATOM   1082  HB1 PHE A  91      36.443  35.574  32.663  1.00 38.19      A       
+ATOM   1083  HB2 PHE A  91      37.760  36.664  32.240  1.00 38.19      A       
+ATOM   1084  CG  PHE A  91      38.263  35.170  33.612  1.00 37.23      A       
+ATOM   1085  CD1 PHE A  91      37.891  34.001  34.296  1.00 39.24      A       
+ATOM   1086  HD1 PHE A  91      36.964  33.509  34.042  1.00 38.19      A       
+ATOM   1087  CD2 PHE A  91      39.467  35.793  33.955  1.00 34.45      A       
+ATOM   1088  HD2 PHE A  91      39.774  36.683  33.426  1.00 38.19      A       
+ATOM   1089  CE1 PHE A  91      38.678  33.508  35.336  1.00 39.13      A       
+ATOM   1090  HE1 PHE A  91      38.383  32.609  35.857  1.00 38.19      A       
+ATOM   1091  CE2 PHE A  91      40.251  35.297  35.002  1.00 34.25      A       
+ATOM   1092  HE2 PHE A  91      41.169  35.798  35.273  1.00 38.19      A       
+ATOM   1093  CZ  PHE A  91      39.859  34.155  35.682  1.00 30.99      A       
+ATOM   1094  HZ  PHE A  91      40.467  33.772  36.488  1.00 38.19      A       
+ATOM   1095  C   PHE A  91      37.297  33.359  31.446  1.00 30.60      A       
+ATOM   1096  O   PHE A  91      36.217  32.955  31.732  1.00 23.25      A       
+ATOM   1097  N   GLY A  92      38.372  32.490  31.521  1.00 27.53      A       
+ATOM   1098  HN  GLY A  92      39.275  32.828  31.342  1.00 38.19      A       
+ATOM   1099  CA  GLY A  92      38.181  31.093  31.861  1.00 25.59      A       
+ATOM   1100  HA1 GLY A  92      37.669  31.033  32.810  1.00 38.19      A       
+ATOM   1101  HA2 GLY A  92      39.149  30.624  31.958  1.00 38.19      A       
+ATOM   1102  C   GLY A  92      37.356  30.320  30.801  1.00 42.76      A       
+ATOM   1103  O   GLY A  92      36.995  30.886  29.775  1.00 42.54      A       
+ATOM   1104  N   ILE A  93      37.125  29.024  31.162  1.00 31.98      A       
+ATOM   1105  HN  ILE A  93      37.488  28.692  32.009  1.00 38.19      A       
+ATOM   1106  CA  ILE A  93      36.349  28.119  30.312  1.00 30.89      A       
+ATOM   1107  HA  ILE A  93      36.042  28.666  29.433  1.00 38.19      A       
+ATOM   1108  CB  ILE A  93      37.234  26.948  29.864  1.00 39.24      A       
+ATOM   1109  HB  ILE A  93      37.639  26.474  30.746  1.00 38.19      A       
+ATOM   1110  CG1 ILE A  93      38.388  27.423  28.974  1.00 47.75      A       
+ATOM   1111 HG11 ILE A  93      38.759  26.590  28.397  1.00 38.19      A       
+ATOM   1112 HG12 ILE A  93      39.181  27.811  29.597  1.00 38.19      A       
+ATOM   1113  CG2 ILE A  93      36.388  25.914  29.115  1.00 35.15      A       
+ATOM   1114 HG21 ILE A  93      35.605  25.551  29.764  1.00 38.19      A       
+ATOM   1115 HG22 ILE A  93      37.014  25.089  28.811  1.00 38.19      A       
+ATOM   1116 HG23 ILE A  93      35.948  26.373  28.241  1.00 38.19      A       
+ATOM   1117  CD1 ILE A  93      37.970  28.528  27.996  1.00 51.18      A       
+ATOM   1118 HD11 ILE A  93      38.821  28.819  27.397  1.00 38.19      A       
+ATOM   1119 HD12 ILE A  93      37.611  29.383  28.549  1.00 38.19      A       
+ATOM   1120 HD13 ILE A  93      37.184  28.160  27.352  1.00 38.19      A       
+ATOM   1121  C   ILE A  93      35.113  27.599  31.028  1.00 39.36      A       
+ATOM   1122  O   ILE A  93      35.257  27.035  32.129  1.00 40.32      A       
+ATOM   1123  N   ASP A  94      33.949  27.829  30.440  1.00 42.37      A       
+ATOM   1124  HN  ASP A  94      33.932  28.298  29.579  1.00 38.19      A       
+ATOM   1125  CA  ASP A  94      32.676  27.395  31.049  1.00 42.94      A       
+ATOM   1126  HA  ASP A  94      31.909  27.441  30.290  1.00 38.19      A       
+ATOM   1127  CB  ASP A  94      32.741  25.969  31.617  1.00 46.68      A       
+ATOM   1128  HB1 ASP A  94      32.051  25.883  32.444  1.00 38.19      A       
+ATOM   1129  HB2 ASP A  94      33.744  25.770  31.965  1.00 38.19      A       
+ATOM   1130  CG  ASP A  94      32.376  24.932  30.574  1.00 75.00      A       
+ATOM   1131  OD1 ASP A  94      31.251  24.750  30.205  1.00 75.00      A       
+ATOM   1132  OD2 ASP A  94      33.376  24.221  30.142  1.00 75.00      A       
+ATOM   1133  C   ASP A  94      32.281  28.325  32.219  1.00 42.67      A       
+ATOM   1134  O   ASP A  94      31.408  27.966  32.994  1.00 48.60      A       
+ATOM   1135  N   THR A  95      32.961  29.445  32.294  1.00 31.10      A       
+ATOM   1136  HN  THR A  95      33.621  29.651  31.600  1.00 38.19      A       
+ATOM   1137  CA  THR A  95      32.757  30.397  33.398  1.00 27.43      A       
+ATOM   1138  HA  THR A  95      33.034  29.905  34.318  1.00 38.19      A       
+ATOM   1139  CB  THR A  95      33.712  31.590  33.183  1.00 33.40      A       
+ATOM   1140  HB  THR A  95      33.149  32.402  32.747  1.00 38.19      A       
+ATOM   1141  OG1 THR A  95      34.763  31.245  32.306  1.00 28.30      A       
+ATOM   1142  HG1 THR A  95      34.533  30.445  31.828  1.00 38.19      A       
+ATOM   1143  CG2 THR A  95      34.268  32.062  34.518  1.00 20.86      A       
+ATOM   1144 HG21 THR A  95      34.937  32.893  34.355  1.00 38.19      A       
+ATOM   1145 HG22 THR A  95      34.807  31.254  34.991  1.00 38.19      A       
+ATOM   1146 HG23 THR A  95      33.455  32.374  35.157  1.00 38.19      A       
+ATOM   1147  C   THR A  95      31.305  30.843  33.498  1.00 31.76      A       
+ATOM   1148  O   THR A  95      30.895  31.396  34.557  1.00 43.54      A       
+ATOM   1149  N   VAL A  96      30.481  30.648  32.514  1.00 28.45      A       
+ATOM   1150  HN  VAL A  96      30.808  30.228  31.691  1.00 38.19      A       
+ATOM   1151  CA  VAL A  96      29.130  31.022  32.602  1.00 22.05      A       
+ATOM   1152  HA  VAL A  96      29.088  32.076  32.836  1.00 38.19      A       
+ATOM   1153  CB  VAL A  96      28.410  30.798  31.302  1.00 25.52      A       
+ATOM   1154  HB  VAL A  96      29.010  31.211  30.506  1.00 38.19      A       
+ATOM   1155  CG1 VAL A  96      28.258  29.344  31.062  1.00 22.60      A       
+ATOM   1156 HG11 VAL A  96      27.655  28.912  31.846  1.00 38.19      A       
+ATOM   1157 HG12 VAL A  96      29.232  28.875  31.056  1.00 38.19      A       
+ATOM   1158 HG13 VAL A  96      27.776  29.184  30.109  1.00 38.19      A       
+ATOM   1159  CG2 VAL A  96      27.067  31.508  31.302  1.00 26.48      A       
+ATOM   1160 HG21 VAL A  96      27.216  32.562  31.482  1.00 38.19      A       
+ATOM   1161 HG22 VAL A  96      26.443  31.095  32.080  1.00 38.19      A       
+ATOM   1162 HG23 VAL A  96      26.587  31.371  30.344  1.00 38.19      A       
+ATOM   1163  C   VAL A  96      28.408  30.237  33.702  1.00 27.36      A       
+ATOM   1164  O   VAL A  96      27.507  30.679  34.389  1.00 36.77      A       
+ATOM   1165  N   GLU A  97      28.903  29.036  33.908  1.00 22.20      A       
+ATOM   1166  HN  GLU A  97      29.632  28.715  33.338  1.00 38.19      A       
+ATOM   1167  CA  GLU A  97      28.385  28.152  34.989  1.00 26.10      A       
+ATOM   1168  HA  GLU A  97      27.360  27.903  34.758  1.00 38.19      A       
+ATOM   1169  CB  GLU A  97      29.227  26.871  35.013  1.00 28.11      A       
+ATOM   1170  HB1 GLU A  97      29.418  26.595  36.038  1.00 38.19      A       
+ATOM   1171  HB2 GLU A  97      30.167  27.060  34.514  1.00 38.19      A       
+ATOM   1172  CG  GLU A  97      28.536  25.698  34.317  1.00 69.87      A       
+ATOM   1173  HG1 GLU A  97      28.471  24.875  35.014  1.00 38.19      A       
+ATOM   1174  HG2 GLU A  97      29.133  25.400  33.469  1.00 38.19      A       
+ATOM   1175  CD  GLU A  97      27.119  26.031  33.821  1.00 75.00      A       
+ATOM   1176  OE1 GLU A  97      26.941  26.767  32.866  1.00 75.00      A       
+ATOM   1177  OE2 GLU A  97      26.174  25.647  34.641  1.00 75.00      A       
+ATOM   1178  C   GLU A  97      28.439  28.859  36.424  1.00 47.45      A       
+ATOM   1179  O   GLU A  97      27.741  28.285  37.277  1.00 54.53      A       
+ATOM   1180  N   LEU A  98      29.222  29.824  36.551  1.00 39.78      A       
+ATOM   1181  HN  LEU A  98      29.710  30.148  35.767  1.00 38.19      A       
+ATOM   1182  CA  LEU A  98      29.428  30.486  37.837  1.00 37.72      A       
+ATOM   1183  HA  LEU A  98      29.227  29.770  38.620  1.00 38.19      A       
+ATOM   1184  CB  LEU A  98      30.719  31.073  38.053  1.00 38.99      A       
+ATOM   1185  HB1 LEU A  98      30.663  31.751  38.890  1.00 38.19      A       
+ATOM   1186  HB2 LEU A  98      31.010  31.622  37.166  1.00 38.19      A       
+ATOM   1187  CG  LEU A  98      31.732  30.046  38.345  1.00 44.86      A       
+ATOM   1188  HG  LEU A  98      31.874  29.424  37.473  1.00 38.19      A       
+ATOM   1189  CD1 LEU A  98      33.071  30.723  38.675  1.00 41.06      A       
+ATOM   1190 HD11 LEU A  98      33.381  31.333  37.840  1.00 38.19      A       
+ATOM   1191 HD12 LEU A  98      33.819  29.969  38.868  1.00 38.19      A       
+ATOM   1192 HD13 LEU A  98      32.953  31.345  39.551  1.00 38.19      A       
+ATOM   1193  CD2 LEU A  98      31.290  29.160  39.489  1.00 71.69      A       
+ATOM   1194 HD21 LEU A  98      30.371  28.659  39.222  1.00 38.19      A       
+ATOM   1195 HD22 LEU A  98      31.128  29.764  40.369  1.00 38.19      A       
+ATOM   1196 HD23 LEU A  98      32.055  28.425  39.693  1.00 38.19      A       
+ATOM   1197  C   LEU A  98      28.523  31.584  37.966  1.00 43.04      A       
+ATOM   1198  O   LEU A  98      28.451  32.315  39.009  1.00 39.67      A       
+ATOM   1199  N   LYS A  99      27.609  31.625  37.010  1.00 28.04      A       
+ATOM   1200  HN  LYS A  99      27.601  30.919  36.330  1.00 38.19      A       
+ATOM   1201  CA  LYS A  99      26.529  32.777  36.931  1.00 27.95      A       
+ATOM   1202  HA  LYS A  99      26.302  32.946  35.888  1.00 38.19      A       
+ATOM   1203  CB  LYS A  99      24.819  31.929  37.888  1.00 31.39      A       
+ATOM   1204  HB1 LYS A  99      24.621  30.962  37.441  1.00 38.19      A       
+ATOM   1205  HB2 LYS A  99      23.972  32.566  37.713  1.00 38.19      A       
+ATOM   1206  CG  LYS A  99      24.957  31.750  39.399  1.00 38.19      A       
+ATOM   1207  HG1 LYS A  99      25.051  32.721  39.865  1.00 38.19      A       
+ATOM   1208  HG2 LYS A  99      25.835  31.156  39.607  1.00 38.19      A       
+ATOM   1209  CD  LYS A  99      23.719  31.043  39.950  1.00 38.19      A       
+ATOM   1210  HD1 LYS A  99      23.627  30.086  39.458  1.00 38.19      A       
+ATOM   1211  HD2 LYS A  99      22.853  31.643  39.721  1.00 38.19      A       
+ATOM   1212  CE  LYS A  99      23.759  30.814  41.460  1.00 38.19      A       
+ATOM   1213  HE1 LYS A  99      23.784  31.770  41.964  1.00 38.19      A       
+ATOM   1214  HE2 LYS A  99      24.644  30.248  41.712  1.00 38.19      A       
+ATOM   1215  NZ  LYS A  99      22.551  30.059  41.913  1.00 38.19      A       
+ATOM   1216  HZ1 LYS A  99      22.526  29.123  41.461  1.00 38.19      A       
+ATOM   1217  HZ2 LYS A  99      21.689  30.578  41.650  1.00 38.19      A       
+ATOM   1218  HZ3 LYS A  99      22.565  29.934  42.946  1.00 38.19      A       
+ATOM   1219  C   LYS A  99      27.267  34.246  37.606  1.00 44.44      A       
+ATOM   1220  O   LYS A  99      26.091  34.845  38.231  1.00 50.25      A       
+ATOM   1221  N   GLY A 100      27.958  34.526  37.233  1.00 47.51      A       
+ATOM   1222  HN  GLY A 100      28.459  33.928  36.638  1.00 38.19      A       
+ATOM   1223  CA  GLY A 100      28.410  35.850  37.445  1.00 40.16      A       
+ATOM   1224  HA1 GLY A 100      27.565  36.518  37.383  1.00 38.19      A       
+ATOM   1225  HA2 GLY A 100      29.115  36.106  36.667  1.00 38.19      A       
+ATOM   1226  C   GLY A 100      29.079  36.033  38.794  1.00 50.53      A       
+ATOM   1227  O   GLY A 100      29.285  37.160  39.228  1.00 54.04      A       
+ATOM   1228  N   GLU A 101      29.399  34.877  39.373  1.00 51.28      A       
+ATOM   1229  HN  GLU A 101      29.234  34.039  38.892  1.00 38.19      A       
+ATOM   1230  CA  GLU A 101      30.003  34.827  40.745  1.00 52.13      A       
+ATOM   1231  HA  GLU A 101      29.610  35.658  41.313  1.00 38.19      A       
+ATOM   1232  CB  GLU A 101      29.587  33.521  41.411  1.00 52.21      A       
+ATOM   1233  HB1 GLU A 101      30.123  32.703  40.954  1.00 38.19      A       
+ATOM   1234  HB2 GLU A 101      28.526  33.376  41.271  1.00 38.19      A       
+ATOM   1235  CG  GLU A 101      29.889  33.520  42.905  1.00 75.00      A       
+ATOM   1236  HG1 GLU A 101      28.997  33.814  43.441  1.00 38.19      A       
+ATOM   1237  HG2 GLU A 101      30.674  34.234  43.100  1.00 38.19      A       
+ATOM   1238  CD  GLU A 101      30.341  32.140  43.424  1.00 75.00      A       
+ATOM   1239  OE1 GLU A 101      29.985  31.118  42.710  1.00 75.00      A       
+ATOM   1240  OE2 GLU A 101      30.959  32.057  44.500  1.00 75.00      A       
+ATOM   1241  C   GLU A 101      31.582  34.931  40.707  1.00 55.72      A       
+ATOM   1242  O   GLU A 101      32.262  33.941  40.543  1.00 52.74      A       
+ATOM   1243  N   GLY A 102      32.048  36.140  41.093  1.00 43.22      A       
+ATOM   1244  HN  GLY A 102      31.411  36.859  41.288  1.00 38.19      A       
+ATOM   1245  CA  GLY A 102      33.482  36.388  41.223  1.00 38.29      A       
+ATOM   1246  HA1 GLY A 102      34.018  35.508  40.897  1.00 38.19      A       
+ATOM   1247  HA2 GLY A 102      33.712  36.572  42.262  1.00 38.19      A       
+ATOM   1248  C   GLY A 102      33.951  37.592  40.388  1.00 37.26      A       
+ATOM   1249  O   GLY A 102      35.089  37.918  40.453  1.00 36.23      A       
+ATOM   1250  N   PHE A 103      32.861  38.135  39.653  1.00 27.76      A       
+ATOM   1251  HN  PHE A 103      31.961  37.773  39.796  1.00 38.19      A       
+ATOM   1252  CA  PHE A 103      33.059  39.285  38.630  1.00 28.09      A       
+ATOM   1253  HA  PHE A 103      34.105  39.558  38.629  1.00 38.19      A       
+ATOM   1254  CB  PHE A 103      32.664  38.866  37.274  1.00 26.35      A       
+ATOM   1255  HB1 PHE A 103      32.875  39.664  36.578  1.00 38.19      A       
+ATOM   1256  HB2 PHE A 103      31.606  38.648  37.262  1.00 38.19      A       
+ATOM   1257  CG  PHE A 103      33.377  37.678  36.832  1.00 35.56      A       
+ATOM   1258  CD1 PHE A 103      34.686  37.806  36.338  1.00 36.29      A       
+ATOM   1259  HD1 PHE A 103      35.109  38.791  36.205  1.00 38.19      A       
+ATOM   1260  CD2 PHE A 103      32.844  36.390  36.999  1.00 28.76      A       
+ATOM   1261  HD2 PHE A 103      31.858  36.275  37.423  1.00 38.19      A       
+ATOM   1262  CE1 PHE A 103      35.404  36.683  35.938  1.00 37.74      A       
+ATOM   1263  HE1 PHE A 103      36.410  36.792  35.559  1.00 38.19      A       
+ATOM   1264  CE2 PHE A 103      33.569  35.269  36.616  1.00 17.84      A       
+ATOM   1265  HE2 PHE A 103      33.134  34.285  36.716  1.00 38.19      A       
+ATOM   1266  CZ  PHE A 103      34.843  35.415  36.068  1.00 27.59      A       
+ATOM   1267  HZ  PHE A 103      35.400  34.543  35.758  1.00 38.19      A       
+ATOM   1268  C   PHE A 103      32.241  40.487  38.951  1.00 41.49      A       
+ATOM   1269  O   PHE A 103      30.979  40.513  38.991  1.00 52.50      A       
+ATOM   1270  N   LYS A 104      32.947  41.511  38.947  1.00 32.66      A       
+ATOM   1271  HN  LYS A 104      33.912  41.425  38.803  1.00 38.19      A       
+ATOM   1272  CA  LYS A 104      32.353  42.888  39.158  1.00 29.74      A       
+ATOM   1273  HA  LYS A 104      31.289  42.773  39.305  1.00 38.19      A       
+ATOM   1274  CB  LYS A 104      33.006  43.601  40.482  1.00 31.71      A       
+ATOM   1275  HB1 LYS A 104      33.249  44.626  40.240  1.00 38.19      A       
+ATOM   1276  HB2 LYS A 104      33.912  43.080  40.747  1.00 38.19      A       
+ATOM   1277  CG  LYS A 104      32.085  43.598  41.697  1.00 38.19      A       
+ATOM   1278  HG1 LYS A 104      31.753  42.587  41.883  1.00 38.19      A       
+ATOM   1279  HG2 LYS A 104      31.231  44.227  41.490  1.00 38.19      A       
+ATOM   1280  CD  LYS A 104      32.795  44.124  42.936  1.00 38.19      A       
+ATOM   1281  HD1 LYS A 104      33.134  45.132  42.744  1.00 38.19      A       
+ATOM   1282  HD2 LYS A 104      33.645  43.492  43.147  1.00 38.19      A       
+ATOM   1283  CE  LYS A 104      31.879  44.135  44.152  1.00 38.19      A       
+ATOM   1284  HE1 LYS A 104      31.520  43.131  44.327  1.00 38.19      A       
+ATOM   1285  HE2 LYS A 104      31.041  44.786  43.951  1.00 38.19      A       
+ATOM   1286  NZ  LYS A 104      32.584  44.617  45.371  1.00 38.19      A       
+ATOM   1287  HZ1 LYS A 104      32.972  45.568  45.207  1.00 38.19      A       
+ATOM   1288  HZ2 LYS A 104      33.366  43.973  45.610  1.00 38.19      A       
+ATOM   1289  HZ3 LYS A 104      31.925  44.656  46.175  1.00 38.19      A       
+ATOM   1290  C   LYS A 104      32.596  43.745  37.906  1.00 31.56      A       
+ATOM   1291  O   LYS A 104      33.761  43.934  37.556  1.00 37.93      A       
+ATOM   1292  N   ARG A 105      31.582  44.156  37.381  1.00 29.87      A       
+ATOM   1293  HN  ARG A 105      30.717  43.977  37.805  1.00 38.19      A       
+ATOM   1294  CA  ARG A 105      31.624  44.933  36.092  1.00 29.94      A       
+ATOM   1295  HA  ARG A 105      32.455  44.564  35.508  1.00 38.19      A       
+ATOM   1296  CB  ARG A 105      30.334  44.484  35.462  1.00 21.46      A       
+ATOM   1297  HB1 ARG A 105      29.545  44.553  36.196  1.00 38.19      A       
+ATOM   1298  HB2 ARG A 105      30.438  43.453  35.155  1.00 38.19      A       
+ATOM   1299  CG  ARG A 105      29.906  45.324  34.214  1.00 39.83      A       
+ATOM   1300  HG1 ARG A 105      30.647  45.219  33.433  1.00 38.19      A       
+ATOM   1301  HG2 ARG A 105      29.804  46.361  34.495  1.00 38.19      A       
+ATOM   1302  CD  ARG A 105      28.607  44.812  33.737  1.00 31.28      A       
+ATOM   1303  HD1 ARG A 105      27.850  45.117  34.445  1.00 38.19      A       
+ATOM   1304  HD2 ARG A 105      28.657  43.735  33.724  1.00 38.19      A       
+ATOM   1305  NE  ARG A 105      28.208  45.262  32.414  1.00 62.79      A       
+ATOM   1306  HE  ARG A 105      28.510  46.142  32.109  1.00 38.19      A       
+ATOM   1307  CZ  ARG A 105      27.420  44.505  31.603  1.00 55.80      A       
+ATOM   1308  NH1 ARG A 105      27.074  43.229  32.097  1.00 31.70      A       
+ATOM   1309 HH11 ARG A 105      27.405  42.933  32.993  1.00 38.19      A       
+ATOM   1310 HH12 ARG A 105      26.498  42.621  31.551  1.00 38.19      A       
+ATOM   1311  NH2 ARG A 105      27.034  44.849  30.484  1.00 75.00      A       
+ATOM   1312 HH21 ARG A 105      27.297  45.741  30.117  1.00 38.19      A       
+ATOM   1313 HH22 ARG A 105      26.456  44.237  29.944  1.00 38.19      A       
+ATOM   1314  C   ARG A 105      31.847  46.294  36.406  1.00 39.27      A       
+ATOM   1315  O   ARG A 105      31.044  47.092  36.989  1.00 35.68      A       
+ATOM   1316  N   ILE A 106      33.028  46.762  36.049  1.00 39.19      A       
+ATOM   1317  HN  ILE A 106      33.657  46.168  35.590  1.00 38.19      A       
+ATOM   1318  CA  ILE A 106      33.408  48.087  36.309  1.00 30.78      A       
+ATOM   1319  HA  ILE A 106      32.817  48.448  37.138  1.00 38.19      A       
+ATOM   1320  CB  ILE A 106      34.924  48.232  36.687  1.00 28.54      A       
+ATOM   1321  HB  ILE A 106      35.495  47.558  36.065  1.00 38.19      A       
+ATOM   1322  CG1 ILE A 106      35.137  47.883  38.110  1.00 21.58      A       
+ATOM   1323 HG11 ILE A 106      35.405  48.774  38.658  1.00 38.19      A       
+ATOM   1324 HG12 ILE A 106      35.940  47.164  38.182  1.00 38.19      A       
+ATOM   1325  CG2 ILE A 106      35.416  49.650  36.429  1.00 24.43      A       
+ATOM   1326 HG21 ILE A 106      35.295  49.887  35.382  1.00 38.19      A       
+ATOM   1327 HG22 ILE A 106      36.460  49.722  36.696  1.00 38.19      A       
+ATOM   1328 HG23 ILE A 106      34.843  50.345  37.025  1.00 38.19      A       
+ATOM   1329  CD1 ILE A 106      33.901  47.278  38.776  1.00 48.54      A       
+ATOM   1330 HD11 ILE A 106      34.113  47.078  39.816  1.00 38.19      A       
+ATOM   1331 HD12 ILE A 106      33.638  46.356  38.279  1.00 38.19      A       
+ATOM   1332 HD13 ILE A 106      33.077  47.973  38.703  1.00 38.19      A       
+ATOM   1333  C   ILE A 106      33.106  48.903  35.111  1.00 35.68      A       
+ATOM   1334  O   ILE A 106      32.464  50.035  35.373  1.00 40.92      A       
+ATOM   1335  N   ALA A 107      33.343  48.591  33.933  1.00 43.39      A       
+ATOM   1336  HN  ALA A 107      33.730  47.712  33.735  1.00 38.19      A       
+ATOM   1337  CA  ALA A 107      33.043  49.549  32.795  1.00 47.83      A       
+ATOM   1338  HA  ALA A 107      33.001  50.547  33.207  1.00 38.19      A       
+ATOM   1339  CB  ALA A 107      34.047  49.541  31.749  1.00 50.33      A       
+ATOM   1340  HB1 ALA A 107      35.023  49.683  32.185  1.00 38.19      A       
+ATOM   1341  HB2 ALA A 107      33.844  50.341  31.052  1.00 38.19      A       
+ATOM   1342  HB3 ALA A 107      34.022  48.594  31.230  1.00 38.19      A       
+ATOM   1343  C   ALA A 107      31.837  49.256  32.216  1.00 46.95      A       
+ATOM   1344  O   ALA A 107      30.887  48.328  32.624  1.00 46.98      A       
+ATOM   1345  N   GLU A 108      31.353  49.980  31.251  1.00 34.19      A       
+ATOM   1346  HN  GLU A 108      31.866  50.748  30.920  1.00 38.19      A       
+ATOM   1347  CA  GLU A 108      30.038  49.672  30.648  1.00 39.93      A       
+ATOM   1348  HA  GLU A 108      29.725  48.704  31.009  1.00 38.19      A       
+ATOM   1349  CB  GLU A 108      28.619  51.158  31.309  1.00 44.91      A       
+ATOM   1350  HB1 GLU A 108      28.575  51.139  32.391  1.00 38.19      A       
+ATOM   1351  HB2 GLU A 108      27.648  50.914  30.920  1.00 38.19      A       
+ATOM   1352  CG  GLU A 108      28.964  52.588  30.850  1.00 38.19      A       
+ATOM   1353  HG1 GLU A 108      29.030  52.592  29.772  1.00 38.19      A       
+ATOM   1354  HG2 GLU A 108      29.924  52.854  31.264  1.00 38.19      A       
+ATOM   1355  CD  GLU A 108      27.945  53.653  31.279  1.00 38.19      A       
+ATOM   1356  OE1 GLU A 108      28.118  54.247  32.374  1.00 38.19      A       
+ATOM   1357  OE2 GLU A 108      26.988  53.920  30.509  1.00 38.19      A       
+ATOM   1358  C   GLU A 108      30.296  49.570  28.865  1.00 42.89      A       
+ATOM   1359  O   GLU A 108      30.744  50.343  28.450  1.00 35.78      A       
+ATOM   1360  N   GLU A 109      29.074  48.878  28.630  1.00 45.26      A       
+ATOM   1361  HN  GLU A 109      28.495  48.661  29.389  1.00 38.19      A       
+ATOM   1362  CA  GLU A 109      28.708  48.527  27.433  1.00 44.93      A       
+ATOM   1363  HA  GLU A 109      29.474  47.886  27.021  1.00 38.19      A       
+ATOM   1364  CB  GLU A 109      27.361  47.795  27.390  1.00 47.30      A       
+ATOM   1365  HB1 GLU A 109      26.563  48.520  27.363  1.00 38.19      A       
+ATOM   1366  HB2 GLU A 109      27.262  47.184  28.277  1.00 38.19      A       
+ATOM   1367  CG  GLU A 109      27.240  46.888  26.144  1.00 61.65      A       
+ATOM   1368  HG1 GLU A 109      28.210  46.817  25.673  1.00 38.19      A       
+ATOM   1369  HG2 GLU A 109      26.540  47.336  25.456  1.00 38.19      A       
+ATOM   1370  CD  GLU A 109      26.758  45.487  26.477  1.00 50.93      A       
+ATOM   1371  OE1 GLU A 109      25.962  45.492  27.531  1.00 75.00      A       
+ATOM   1372  OE2 GLU A 109      27.079  44.507  25.883  1.00 75.00      A       
+ATOM   1373  C   GLU A 109      28.631  49.861  26.574  1.00 44.06      A       
+ATOM   1374  O   GLU A 109      27.913  50.761  26.817  1.00 48.44      A       
+ATOM   1375  N   GLY A 110      29.522  49.872  25.530  1.00 38.66      A       
+ATOM   1376  HN  GLY A 110      30.136  49.116  25.418  1.00 38.19      A       
+ATOM   1377  CA  GLY A 110      29.570  50.977  24.596  1.00 37.24      A       
+ATOM   1378  HA1 GLY A 110      28.561  51.305  24.391  1.00 38.19      A       
+ATOM   1379  HA2 GLY A 110      30.018  50.635  23.675  1.00 38.19      A       
+ATOM   1380  C   GLY A 110      30.361  52.138  25.117  1.00 50.46      A       
+ATOM   1381  O   GLY A 110      30.363  53.238  24.507  1.00 48.39      A       
+ATOM   1382  N   GLN A 111      31.065  51.985  26.208  1.00 43.45      A       
+ATOM   1383  HN  GLN A 111      31.068  51.116  26.659  1.00 38.19      A       
+ATOM   1384  CA  GLN A 111      31.858  53.098  26.775  1.00 36.07      A       
+ATOM   1385  HA  GLN A 111      31.281  54.005  26.670  1.00 38.19      A       
+ATOM   1386  CB  GLN A 111      32.020  52.778  28.248  1.00 36.54      A       
+ATOM   1387  HB1 GLN A 111      32.454  51.796  28.354  1.00 38.19      A       
+ATOM   1388  HB2 GLN A 111      31.048  52.794  28.722  1.00 38.19      A       
+ATOM   1389  CG  GLN A 111      32.927  53.790  28.953  1.00 54.19      A       
+ATOM   1390  HG1 GLN A 111      32.439  54.753  28.955  1.00 38.19      A       
+ATOM   1391  HG2 GLN A 111      33.858  53.860  28.409  1.00 38.19      A       
+ATOM   1392  CD  GLN A 111      33.231  53.398  30.370  1.00 49.39      A       
+ATOM   1393  OE1 GLN A 111      32.537  52.620  30.909  1.00 43.63      A       
+ATOM   1394  NE2 GLN A 111      34.346  53.633  30.888  1.00 53.58      A       
+ATOM   1395 HE21 GLN A 111      35.025  54.081  30.341  1.00 38.19      A       
+ATOM   1396 HE22 GLN A 111      34.493  53.355  31.816  1.00 38.19      A       
+ATOM   1397  C   GLN A 111      33.145  53.251  26.021  1.00 41.74      A       
+ATOM   1398  O   GLN A 111      33.714  52.294  25.503  1.00 47.88      A       
+ATOM   1399  N   ARG A 112      33.599  54.489  25.997  1.00 38.06      A       
+ATOM   1400  HN  ARG A 112      33.071  55.202  26.415  1.00 38.19      A       
+ATOM   1401  CA  ARG A 112      34.865  54.821  25.366  1.00 33.39      A       
+ATOM   1402  HA  ARG A 112      34.988  54.180  24.506  1.00 38.19      A       
+ATOM   1403  CB  ARG A 112      34.916  56.272  24.920  1.00 36.35      A       
+ATOM   1404  HB1 ARG A 112      35.887  56.681  25.155  1.00 38.19      A       
+ATOM   1405  HB2 ARG A 112      34.156  56.831  25.447  1.00 38.19      A       
+ATOM   1406  CG  ARG A 112      34.681  56.418  23.430  1.00 53.54      A       
+ATOM   1407  HG1 ARG A 112      33.774  56.985  23.274  1.00 38.19      A       
+ATOM   1408  HG2 ARG A 112      34.570  55.435  22.996  1.00 38.19      A       
+ATOM   1409  CD  ARG A 112      35.843  57.140  22.730  1.00 75.00      A       
+ATOM   1410  HD1 ARG A 112      36.539  57.483  23.482  1.00 38.19      A       
+ATOM   1411  HD2 ARG A 112      35.450  57.990  22.192  1.00 38.19      A       
+ATOM   1412  NE  ARG A 112      36.554  56.268  21.784  1.00 75.00      A       
+ATOM   1413  HE  ARG A 112      36.113  56.049  20.937  1.00 38.19      A       
+ATOM   1414  CZ  ARG A 112      37.771  55.769  22.036  1.00 75.00      A       
+ATOM   1415  NH1 ARG A 112      38.439  55.997  23.168  1.00 75.00      A       
+ATOM   1416 HH11 ARG A 112      38.032  56.566  23.883  1.00 38.19      A       
+ATOM   1417 HH12 ARG A 112      39.346  55.598  23.303  1.00 38.19      A       
+ATOM   1418  NH2 ARG A 112      38.345  54.983  21.109  1.00 75.00      A       
+ATOM   1419 HH21 ARG A 112      37.863  54.783  20.256  1.00 38.19      A       
+ATOM   1420 HH22 ARG A 112      39.253  54.599  21.273  1.00 38.19      A       
+ATOM   1421  C   ARG A 112      35.993  54.570  26.326  1.00 48.97      A       
+ATOM   1422  O   ARG A 112      35.950  55.068  27.473  1.00 55.14      A       
+ATOM   1423  N   VAL A 113      36.956  53.784  25.937  1.00 47.26      A       
+ATOM   1424  HN  VAL A 113      36.953  53.444  25.018  1.00 38.19      A       
+ATOM   1425  CA  VAL A 113      38.048  53.392  26.843  1.00 41.19      A       
+ATOM   1426  HA  VAL A 113      38.044  54.068  27.684  1.00 38.19      A       
+ATOM   1427  CB  VAL A 113      37.983  52.026  27.355  1.00 42.94      A       
+ATOM   1428  HB  VAL A 113      38.794  51.887  28.052  1.00 38.19      A       
+ATOM   1429  CG1 VAL A 113      36.671  51.787  28.098  1.00 39.57      A       
+ATOM   1430 HG11 VAL A 113      35.843  51.932  27.421  1.00 38.19      A       
+ATOM   1431 HG12 VAL A 113      36.590  52.484  28.920  1.00 38.19      A       
+ATOM   1432 HG13 VAL A 113      36.653  50.777  28.479  1.00 38.19      A       
+ATOM   1433  CG2 VAL A 113      38.160  51.032  26.227  1.00 42.29      A       
+ATOM   1434 HG21 VAL A 113      38.110  50.027  26.622  1.00 38.19      A       
+ATOM   1435 HG22 VAL A 113      39.120  51.187  25.758  1.00 38.19      A       
+ATOM   1436 HG23 VAL A 113      37.376  51.171  25.498  1.00 38.19      A       
+ATOM   1437  C   VAL A 113      39.333  53.441  26.210  1.00 40.94      A       
+ATOM   1438  O   VAL A 113      39.522  53.582  24.927  1.00 41.00      A       
+ATOM   1439  N   LYS A 114      40.189  53.519  27.017  1.00 36.57      A       
+ATOM   1440  HN  LYS A 114      39.960  53.449  27.969  1.00 38.19      A       
+ATOM   1441  CA  LYS A 114      41.741  53.747  26.591  1.00 33.79      A       
+ATOM   1442  HA  LYS A 114      41.808  53.660  25.516  1.00 38.19      A       
+ATOM   1443  CB  LYS A 114      42.515  55.209  27.092  1.00 41.03      A       
+ATOM   1444  HB1 LYS A 114      43.582  55.102  26.954  1.00 38.19      A       
+ATOM   1445  HB2 LYS A 114      42.312  55.369  28.138  1.00 38.19      A       
+ATOM   1446  CG  LYS A 114      42.046  56.446  26.327  1.00 38.19      A       
+ATOM   1447  HG1 LYS A 114      40.985  56.362  26.144  1.00 38.19      A       
+ATOM   1448  HG2 LYS A 114      42.573  56.497  25.386  1.00 38.19      A       
+ATOM   1449  CD  LYS A 114      42.314  57.724  27.113  1.00 38.19      A       
+ATOM   1450  HD1 LYS A 114      43.342  58.019  26.955  1.00 38.19      A       
+ATOM   1451  HD2 LYS A 114      42.154  57.529  28.163  1.00 38.19      A       
+ATOM   1452  CE  LYS A 114      41.400  58.865  26.678  1.00 38.19      A       
+ATOM   1453  HE1 LYS A 114      40.374  58.526  26.722  1.00 38.19      A       
+ATOM   1454  HE2 LYS A 114      41.644  59.140  25.662  1.00 38.19      A       
+ATOM   1455  NZ  LYS A 114      41.554  60.058  27.555  1.00 38.19      A       
+ATOM   1456  HZ1 LYS A 114      40.866  60.791  27.289  1.00 38.19      A       
+ATOM   1457  HZ2 LYS A 114      42.513  60.448  27.460  1.00 38.19      A       
+ATOM   1458  HZ3 LYS A 114      41.397  59.792  28.548  1.00 38.19      A       
+ATOM   1459  C   LYS A 114      42.577  52.675  27.221  1.00 30.99      A       
+ATOM   1460  O   LYS A 114      42.114  52.045  28.250  1.00 22.59      A       
+ATOM   1461  N   VAL A 115      43.605  52.251  26.655  1.00 32.34      A       
+ATOM   1462  HN  VAL A 115      43.939  52.714  25.858  1.00 38.19      A       
+ATOM   1463  CA  VAL A 115      44.309  51.095  27.144  1.00 30.91      A       
+ATOM   1464  HA  VAL A 115      43.732  50.221  26.884  1.00 38.19      A       
+ATOM   1465  CB  VAL A 115      45.624  50.969  26.537  1.00 32.27      A       
+ATOM   1466  HB  VAL A 115      46.080  51.948  26.516  1.00 38.19      A       
+ATOM   1467  CG1 VAL A 115      46.461  50.089  27.393  1.00 27.18      A       
+ATOM   1468 HG11 VAL A 115      47.457  50.028  26.981  1.00 38.19      A       
+ATOM   1469 HG12 VAL A 115      46.024  49.103  27.429  1.00 38.19      A       
+ATOM   1470 HG13 VAL A 115      46.511  50.497  28.393  1.00 38.19      A       
+ATOM   1471  CG2 VAL A 115      45.551  50.458  25.131  1.00 40.09      A       
+ATOM   1472 HG21 VAL A 115      44.911  51.101  24.545  1.00 38.19      A       
+ATOM   1473 HG22 VAL A 115      45.149  49.456  25.133  1.00 38.19      A       
+ATOM   1474 HG23 VAL A 115      46.541  50.448  24.700  1.00 38.19      A       
+ATOM   1475  C   VAL A 115      44.489  51.131  28.608  1.00 31.15      A       
+ATOM   1476  O   VAL A 115      45.160  52.057  29.114  1.00 31.30      A       
+ATOM   1477  N   GLY A 116      44.094  50.144  29.384  1.00 20.29      A       
+ATOM   1478  HN  GLY A 116      43.589  49.401  28.993  1.00 38.19      A       
+ATOM   1479  CA  GLY A 116      44.394  50.140  30.803  1.00 18.93      A       
+ATOM   1480  HA1 GLY A 116      45.152  50.882  31.002  1.00 38.19      A       
+ATOM   1481  HA2 GLY A 116      44.777  49.168  31.076  1.00 38.19      A       
+ATOM   1482  C   GLY A 116      43.177  50.443  31.655  1.00 34.16      A       
+ATOM   1483  O   GLY A 116      43.244  50.237  32.904  1.00 39.40      A       
+ATOM   1484  N   ASP A 117      42.140  50.953  31.095  1.00 34.73      A       
+ATOM   1485  HN  ASP A 117      42.164  51.153  30.136  1.00 38.19      A       
+ATOM   1486  CA  ASP A 117      40.955  51.233  31.835  1.00 33.60      A       
+ATOM   1487  HA  ASP A 117      41.234  51.795  32.714  1.00 38.19      A       
+ATOM   1488  CB  ASP A 117      39.929  52.051  31.007  1.00 38.22      A       
+ATOM   1489  HB1 ASP A 117      39.004  52.128  31.560  1.00 38.19      A       
+ATOM   1490  HB2 ASP A 117      39.746  51.550  30.069  1.00 38.19      A       
+ATOM   1491  CG  ASP A 117      40.438  53.453  30.717  1.00 60.16      A       
+ATOM   1492  OD1 ASP A 117      41.467  53.880  31.174  1.00 52.95      A       
+ATOM   1493  OD2 ASP A 117      39.595  54.150  29.926  1.00 38.35      A       
+ATOM   1494  C   ASP A 117      40.318  49.902  32.271  1.00 42.97      A       
+ATOM   1495  O   ASP A 117      40.095  49.031  31.460  1.00 51.14      A       
+ATOM   1496  N   THR A 118      40.118  49.804  33.578  1.00 39.78      A       
+ATOM   1497  HN  THR A 118      40.364  50.553  34.160  1.00 38.19      A       
+ATOM   1498  CA  THR A 118      39.538  48.598  34.168  1.00 29.33      A       
+ATOM   1499  HA  THR A 118      40.228  47.784  34.007  1.00 38.19      A       
+ATOM   1500  CB  THR A 118      39.391  48.799  35.613  1.00 21.87      A       
+ATOM   1501  HB  THR A 118      38.879  49.736  35.774  1.00 38.19      A       
+ATOM   1502  OG1 THR A 118      40.668  48.867  36.231  1.00 49.26      A       
+ATOM   1503  HG1 THR A 118      40.857  49.775  36.476  1.00 38.19      A       
+ATOM   1504  CG2 THR A 118      38.529  47.695  36.165  1.00 26.88      A       
+ATOM   1505 HG21 THR A 118      39.017  46.745  36.008  1.00 38.19      A       
+ATOM   1506 HG22 THR A 118      37.574  47.698  35.659  1.00 38.19      A       
+ATOM   1507 HG23 THR A 118      38.377  47.852  37.222  1.00 38.19      A       
+ATOM   1508  C   THR A 118      38.240  48.254  33.555  1.00 34.12      A       
+ATOM   1509  O   THR A 118      37.385  49.158  33.443  1.00 39.63      A       
+ATOM   1510  N   VAL A 119      37.964  47.009  33.218  1.00 30.66      A       
+ATOM   1511  HN  VAL A 119      38.643  46.316  33.354  1.00 38.19      A       
+ATOM   1512  CA  VAL A 119      36.685  46.642  32.655  1.00 17.61      A       
+ATOM   1513  HA  VAL A 119      36.121  47.547  32.482  1.00 38.19      A       
+ATOM   1514  CB  VAL A 119      36.824  45.910  31.342  1.00 20.29      A       
+ATOM   1515  HB  VAL A 119      37.544  45.116  31.473  1.00 38.19      A       
+ATOM   1516  CG1 VAL A 119      35.512  45.290  30.914  1.00 23.27      A       
+ATOM   1517 HG11 VAL A 119      35.654  44.745  29.993  1.00 38.19      A       
+ATOM   1518 HG12 VAL A 119      34.780  46.069  30.761  1.00 38.19      A       
+ATOM   1519 HG13 VAL A 119      35.164  44.615  31.682  1.00 38.19      A       
+ATOM   1520  CG2 VAL A 119      37.351  46.844  30.318  1.00 17.74      A       
+ATOM   1521 HG21 VAL A 119      37.486  46.317  29.385  1.00 38.19      A       
+ATOM   1522 HG22 VAL A 119      38.299  47.243  30.648  1.00 38.19      A       
+ATOM   1523 HG23 VAL A 119      36.650  47.652  30.175  1.00 38.19      A       
+ATOM   1524  C   VAL A 119      35.901  45.741  33.593  1.00 23.59      A       
+ATOM   1525  O   VAL A 119      34.736  46.061  33.881  1.00 33.77      A       
+ATOM   1526  N   ILE A 120      36.581  44.775  34.107  1.00 29.23      A       
+ATOM   1527  HN  ILE A 120      37.509  44.638  33.822  1.00 38.19      A       
+ATOM   1528  CA  ILE A 120      36.008  43.892  35.095  1.00 17.53      A       
+ATOM   1529  HA  ILE A 120      35.171  44.401  35.550  1.00 38.19      A       
+ATOM   1530  CB  ILE A 120      35.480  42.652  34.384  1.00 17.92      A       
+ATOM   1531  HB  ILE A 120      36.321  42.034  34.107  1.00 38.19      A       
+ATOM   1532  CG1 ILE A 120      34.720  43.013  33.170  1.00 12.46      A       
+ATOM   1533 HG11 ILE A 120      35.294  43.715  32.584  1.00 38.19      A       
+ATOM   1534 HG12 ILE A 120      33.783  43.466  33.457  1.00 38.19      A       
+ATOM   1535  CG2 ILE A 120      34.572  41.835  35.307  1.00 32.94      A       
+ATOM   1536 HG21 ILE A 120      34.233  40.951  34.788  1.00 38.19      A       
+ATOM   1537 HG22 ILE A 120      33.720  42.433  35.594  1.00 38.19      A       
+ATOM   1538 HG23 ILE A 120      35.122  41.546  36.191  1.00 38.19      A       
+ATOM   1539  CD1 ILE A 120      34.418  41.833  32.310  1.00 42.01      A       
+ATOM   1540 HD11 ILE A 120      33.841  41.115  32.874  1.00 38.19      A       
+ATOM   1541 HD12 ILE A 120      35.342  41.379  31.986  1.00 38.19      A       
+ATOM   1542 HD13 ILE A 120      33.850  42.151  31.448  1.00 38.19      A       
+ATOM   1543  C   ILE A 120      37.009  43.559  36.155  1.00 34.68      A       
+ATOM   1544  O   ILE A 120      38.230  43.577  35.937  1.00 38.00      A       
+ATOM   1545  N   GLU A 121      36.499  43.341  37.355  1.00 35.65      A       
+ATOM   1546  HN  GLU A 121      35.532  43.437  37.489  1.00 38.19      A       
+ATOM   1547  CA  GLU A 121      37.320  42.969  38.456  1.00 38.46      A       
+ATOM   1548  HA  GLU A 121      38.340  42.905  38.106  1.00 38.19      A       
+ATOM   1549  CB  GLU A 121      37.248  43.994  39.674  1.00 44.42      A       
+ATOM   1550  HB1 GLU A 121      37.788  43.585  40.513  1.00 38.19      A       
+ATOM   1551  HB2 GLU A 121      36.215  44.144  39.950  1.00 38.19      A       
+ATOM   1552  CG  GLU A 121      37.872  45.374  39.308  1.00 41.48      A       
+ATOM   1553  HG1 GLU A 121      37.387  45.748  38.419  1.00 38.19      A       
+ATOM   1554  HG2 GLU A 121      38.925  45.239  39.112  1.00 38.19      A       
+ATOM   1555  CD  GLU A 121      37.711  46.418  40.433  1.00 69.93      A       
+ATOM   1556  OE1 GLU A 121      36.950  46.006  41.418  1.00 57.01      A       
+ATOM   1557  OE2 GLU A 121      38.241  47.512  40.406  1.00 53.29      A       
+ATOM   1558  C   GLU A 121      36.871  41.594  38.922  1.00 33.68      A       
+ATOM   1559  O   GLU A 121      35.667  41.264  38.943  1.00 29.71      A       
+ATOM   1560  N   PHE A 122      37.852  40.695  39.195  1.00 22.06      A       
+ATOM   1561  HN  PHE A 122      38.788  40.968  39.108  1.00 38.19      A       
+ATOM   1562  CA  PHE A 122      37.545  39.338  39.614  1.00 25.85      A       
+ATOM   1563  HA  PHE A 122      36.507  39.306  39.904  1.00 38.19      A       
+ATOM   1564  CB  PHE A 122      37.791  38.301  38.477  1.00 31.09      A       
+ATOM   1565  HB1 PHE A 122      37.092  38.478  37.674  1.00 38.19      A       
+ATOM   1566  HB2 PHE A 122      37.647  37.302  38.866  1.00 38.19      A       
+ATOM   1567  CG  PHE A 122      39.208  38.395  37.907  1.00 30.52      A       
+ATOM   1568  CD1 PHE A 122      40.248  37.638  38.453  1.00 27.82      A       
+ATOM   1569  HD1 PHE A 122      40.073  37.068  39.353  1.00 38.19      A       
+ATOM   1570  CD2 PHE A 122      39.452  39.130  36.738  1.00 18.14      A       
+ATOM   1571  HD2 PHE A 122      38.644  39.680  36.279  1.00 38.19      A       
+ATOM   1572  CE1 PHE A 122      41.527  37.676  37.886  1.00 22.61      A       
+ATOM   1573  HE1 PHE A 122      42.324  37.087  38.315  1.00 38.19      A       
+ATOM   1574  CE2 PHE A 122      40.717  39.125  36.147  1.00 23.51      A       
+ATOM   1575  HE2 PHE A 122      40.896  39.703  35.252  1.00 38.19      A       
+ATOM   1576  CZ  PHE A 122      41.754  38.419  36.736  1.00 25.22      A       
+ATOM   1577  HZ  PHE A 122      42.741  38.447  36.299  1.00 38.19      A       
+ATOM   1578  C   PHE A 122      38.443  38.909  40.860  1.00 34.36      A       
+ATOM   1579  O   PHE A 122      39.290  39.545  41.338  1.00 38.97      A       
+ATOM   1580  N   ASP A 123      37.923  37.718  41.276  1.00 33.72      A       
+ATOM   1581  HN  ASP A 123      37.209  37.298  40.753  1.00 38.19      A       
+ATOM   1582  CA  ASP A 123      38.400  37.061  42.468  1.00 30.42      A       
+ATOM   1583  HA  ASP A 123      39.033  37.754  43.001  1.00 38.19      A       
+ATOM   1584  CB  ASP A 123      37.208  36.744  43.303  1.00 34.87      A       
+ATOM   1585  HB1 ASP A 123      36.808  35.787  43.004  1.00 38.19      A       
+ATOM   1586  HB2 ASP A 123      36.457  37.508  43.161  1.00 38.19      A       
+ATOM   1587  CG  ASP A 123      37.556  36.681  44.749  1.00 63.59      A       
+ATOM   1588  OD1 ASP A 123      38.461  36.009  45.160  1.00 62.88      A       
+ATOM   1589  OD2 ASP A 123      36.763  37.422  45.505  1.00 73.40      A       
+ATOM   1590  C   ASP A 123      39.204  35.836  42.104  1.00 40.41      A       
+ATOM   1591  O   ASP A 123      38.538  34.756  42.034  1.00 45.60      A       
+ATOM   1592  N   LEU A 124      40.437  35.915  41.815  1.00 26.45      A       
+ATOM   1593  HN  LEU A 124      40.899  36.772  41.922  1.00 38.19      A       
+ATOM   1594  CA  LEU A 124      41.199  34.737  41.316  1.00 19.64      A       
+ATOM   1595  HA  LEU A 124      40.774  34.440  40.368  1.00 38.19      A       
+ATOM   1596  CB  LEU A 124      42.694  35.077  41.118  1.00 26.07      A       
+ATOM   1597  HB1 LEU A 124      43.240  34.820  42.013  1.00 38.19      A       
+ATOM   1598  HB2 LEU A 124      42.794  36.136  40.926  1.00 38.19      A       
+ATOM   1599  CG  LEU A 124      43.255  34.317  39.979  1.00 34.98      A       
+ATOM   1600  HG  LEU A 124      43.254  33.264  40.216  1.00 38.19      A       
+ATOM   1601  CD1 LEU A 124      42.417  34.524  38.731  1.00 28.29      A       
+ATOM   1602 HD11 LEU A 124      42.424  35.569  38.463  1.00 38.19      A       
+ATOM   1603 HD12 LEU A 124      41.401  34.208  38.922  1.00 38.19      A       
+ATOM   1604 HD13 LEU A 124      42.828  33.941  37.920  1.00 38.19      A       
+ATOM   1605  CD2 LEU A 124      44.683  34.737  39.710  1.00 44.80      A       
+ATOM   1606 HD21 LEU A 124      45.077  34.168  38.880  1.00 38.19      A       
+ATOM   1607 HD22 LEU A 124      45.284  34.555  40.589  1.00 38.19      A       
+ATOM   1608 HD23 LEU A 124      44.709  35.789  39.468  1.00 38.19      A       
+ATOM   1609  C   LEU A 124      41.088  33.574  42.297  1.00 37.76      A       
+ATOM   1610  O   LEU A 124      40.772  32.613  41.845  1.00 47.22      A       
+ATOM   1611  N   PRO A 125      41.447  33.690  43.554  1.00 45.54      A       
+ATOM   1612  CA  PRO A 125      41.336  32.675  44.482  1.00 44.70      A       
+ATOM   1613  HA  PRO A 125      42.191  32.016  44.442  1.00 38.19      A       
+ATOM   1614  CB  PRO A 125      41.262  33.313  45.859  1.00 47.03      A       
+ATOM   1615  HB1 PRO A 125      42.057  32.921  46.476  1.00 38.19      A       
+ATOM   1616  HB2 PRO A 125      40.310  33.074  46.310  1.00 38.19      A       
+ATOM   1617  CG  PRO A 125      41.415  34.828  45.665  1.00 56.34      A       
+ATOM   1618  HG1 PRO A 125      42.266  35.184  46.226  1.00 38.19      A       
+ATOM   1619  HG2 PRO A 125      40.516  35.332  45.987  1.00 38.19      A       
+ATOM   1620  CD  PRO A 125      41.640  35.051  44.157  1.00 51.10      A       
+ATOM   1621  HD1 PRO A 125      42.642  35.412  43.976  1.00 38.19      A       
+ATOM   1622  HD2 PRO A 125      40.913  35.748  43.768  1.00 38.19      A       
+ATOM   1623  C   PRO A 125      40.054  31.844  44.270  1.00 45.03      A       
+ATOM   1624  O   PRO A 125      40.124  30.678  43.987  1.00 47.75      A       
+ATOM   1625  N   LEU A 126      38.939  32.577  44.412  1.00 32.88      A       
+ATOM   1626  HN  LEU A 126      39.014  33.514  44.689  1.00 38.19      A       
+ATOM   1627  CA  LEU A 126      37.545  31.980  44.152  1.00 30.97      A       
+ATOM   1628  HA  LEU A 126      37.311  31.307  44.964  1.00 38.19      A       
+ATOM   1629  CB  LEU A 126      36.552  33.179  44.175  1.00 34.66      A       
+ATOM   1630  HB1 LEU A 126      36.713  33.786  43.298  1.00 38.19      A       
+ATOM   1631  HB2 LEU A 126      36.737  33.772  45.059  1.00 38.19      A       
+ATOM   1632  CG  LEU A 126      35.121  32.708  44.183  1.00 48.71      A       
+ATOM   1633  HG  LEU A 126      34.973  32.031  45.012  1.00 38.19      A       
+ATOM   1634  CD1 LEU A 126      34.208  33.899  44.379  1.00 48.90      A       
+ATOM   1635 HD11 LEU A 126      34.438  34.378  45.320  1.00 38.19      A       
+ATOM   1636 HD12 LEU A 126      33.180  33.568  44.386  1.00 38.19      A       
+ATOM   1637 HD13 LEU A 126      34.355  34.601  43.572  1.00 38.19      A       
+ATOM   1638  CD2 LEU A 126      34.665  31.992  42.889  1.00 64.14      A       
+ATOM   1639 HD21 LEU A 126      33.630  31.699  42.985  1.00 38.19      A       
+ATOM   1640 HD22 LEU A 126      35.274  31.115  42.729  1.00 38.19      A       
+ATOM   1641 HD23 LEU A 126      34.775  32.664  42.050  1.00 38.19      A       
+ATOM   1642  C   LEU A 126      37.559  31.227  42.898  1.00 34.42      A       
+ATOM   1643  O   LEU A 126      37.245  30.094  42.761  1.00 40.24      A       
+ATOM   1644  N   LEU A 127      37.756  32.023  41.803  1.00 28.25      A       
+ATOM   1645  HN  LEU A 127      37.984  32.968  41.932  1.00 38.19      A       
+ATOM   1646  CA  LEU A 127      37.640  31.511  40.484  1.00 27.68      A       
+ATOM   1647  HA  LEU A 127      36.634  31.142  40.356  1.00 38.19      A       
+ATOM   1648  CB  LEU A 127      37.929  32.641  39.394  1.00 31.14      A       
+ATOM   1649  HB1 LEU A 127      37.726  32.246  38.410  1.00 38.19      A       
+ATOM   1650  HB2 LEU A 127      38.968  32.935  39.456  1.00 38.19      A       
+ATOM   1651  CG  LEU A 127      37.037  33.866  39.632  1.00 33.55      A       
+ATOM   1652  HG  LEU A 127      37.172  34.213  40.646  1.00 38.19      A       
+ATOM   1653  CD1 LEU A 127      37.387  35.027  38.676  1.00 31.96      A       
+ATOM   1654 HD11 LEU A 127      37.266  34.701  37.654  1.00 38.19      A       
+ATOM   1655 HD12 LEU A 127      38.410  35.332  38.838  1.00 38.19      A       
+ATOM   1656 HD13 LEU A 127      36.729  35.862  38.868  1.00 38.19      A       
+ATOM   1657  CD2 LEU A 127      35.577  33.480  39.456  1.00 45.91      A       
+ATOM   1658 HD21 LEU A 127      34.953  34.349  39.603  1.00 38.19      A       
+ATOM   1659 HD22 LEU A 127      35.315  32.723  40.180  1.00 38.19      A       
+ATOM   1660 HD23 LEU A 127      35.425  33.092  38.459  1.00 38.19      A       
+ATOM   1661  C   LEU A 127      38.623  30.345  40.341  1.00 29.61      A       
+ATOM   1662  O   LEU A 127      38.217  29.313  39.729  1.00 29.60      A       
+ATOM   1663  N   GLU A 128      39.762  30.378  40.857  1.00 29.68      A       
+ATOM   1664  HN  GLU A 128      40.008  31.141  41.419  1.00 38.19      A       
+ATOM   1665  CA  GLU A 128      40.722  29.319  40.650  1.00 32.88      A       
+ATOM   1666  HA  GLU A 128      40.837  29.173  39.585  1.00 38.19      A       
+ATOM   1667  CB  GLU A 128      42.137  29.672  41.288  1.00 31.61      A       
+ATOM   1668  HB1 GLU A 128      42.672  28.758  41.498  1.00 38.19      A       
+ATOM   1669  HB2 GLU A 128      41.988  30.221  42.206  1.00 38.19      A       
+ATOM   1670  CG  GLU A 128      42.964  30.513  40.345  1.00 51.16      A       
+ATOM   1671  HG1 GLU A 128      42.665  31.545  40.447  1.00 38.19      A       
+ATOM   1672  HG2 GLU A 128      42.780  30.183  39.333  1.00 38.19      A       
+ATOM   1673  CD  GLU A 128      44.466  30.410  40.627  1.00 75.00      A       
+ATOM   1674  OE1 GLU A 128      44.770  30.343  41.830  1.00 65.29      A       
+ATOM   1675  OE2 GLU A 128      45.285  30.541  39.666  1.00 75.00      A       
+ATOM   1676  C   GLU A 128      40.165  28.070  41.260  1.00 51.62      A       
+ATOM   1677  O   GLU A 128      40.363  26.990  40.551  1.00 61.89      A       
+ATOM   1678  N   GLU A 129      39.478  28.172  42.252  1.00 43.22      A       
+ATOM   1679  HN  GLU A 129      39.318  29.061  42.632  1.00 38.19      A       
+ATOM   1680  CA  GLU A 129      38.838  26.925  42.941  1.00 41.68      A       
+ATOM   1681  HA  GLU A 129      39.527  26.099  42.841  1.00 38.19      A       
+ATOM   1682  CB  GLU A 129      38.560  27.202  44.531  1.00 42.00      A       
+ATOM   1683  HB1 GLU A 129      37.601  26.781  44.796  1.00 38.19      A       
+ATOM   1684  HB2 GLU A 129      38.533  28.268  44.699  1.00 38.19      A       
+ATOM   1685  CG  GLU A 129      39.627  26.601  45.458  1.00 38.19      A       
+ATOM   1686  HG1 GLU A 129      40.586  27.019  45.186  1.00 38.19      A       
+ATOM   1687  HG2 GLU A 129      39.651  25.534  45.302  1.00 38.19      A       
+ATOM   1688  CD  GLU A 129      39.389  26.862  46.952  1.00 38.19      A       
+ATOM   1689  OE1 GLU A 129      39.898  27.885  47.474  1.00 38.19      A       
+ATOM   1690  OE2 GLU A 129      38.721  26.026  47.611  1.00 38.19      A       
+ATOM   1691  C   GLU A 129      37.494  26.543  42.278  1.00 46.82      A       
+ATOM   1692  O   GLU A 129      37.403  25.345  41.966  1.00 54.63      A       
+ATOM   1693  N   LYS A 130      36.569  27.424  42.202  1.00 40.84      A       
+ATOM   1694  HN  LYS A 130      36.753  28.341  42.499  1.00 38.19      A       
+ATOM   1695  CA  LYS A 130      35.240  27.091  41.680  1.00 45.61      A       
+ATOM   1696  HA  LYS A 130      34.962  26.123  42.070  1.00 38.19      A       
+ATOM   1697  CB  LYS A 130      34.198  28.133  42.123  1.00 42.29      A       
+ATOM   1698  HB1 LYS A 130      33.209  27.768  41.889  1.00 38.19      A       
+ATOM   1699  HB2 LYS A 130      34.373  29.058  41.593  1.00 38.19      A       
+ATOM   1700  CG  LYS A 130      34.272  28.405  43.605  1.00 64.07      A       
+ATOM   1701  HG1 LYS A 130      34.295  29.473  43.761  1.00 38.19      A       
+ATOM   1702  HG2 LYS A 130      35.179  27.966  43.994  1.00 38.19      A       
+ATOM   1703  CD  LYS A 130      33.079  27.820  44.367  1.00 68.50      A       
+ATOM   1704  HD1 LYS A 130      33.174  28.076  45.413  1.00 38.19      A       
+ATOM   1705  HD2 LYS A 130      33.089  26.747  44.258  1.00 38.19      A       
+ATOM   1706  CE  LYS A 130      31.746  28.353  43.847  1.00 75.00      A       
+ATOM   1707  HE1 LYS A 130      31.027  27.547  43.846  1.00 38.19      A       
+ATOM   1708  HE2 LYS A 130      31.885  28.712  42.838  1.00 38.19      A       
+ATOM   1709  NZ  LYS A 130      31.226  29.468  44.691  1.00 75.00      A       
+ATOM   1710  HZ1 LYS A 130      30.318  29.808  44.315  1.00 38.19      A       
+ATOM   1711  HZ2 LYS A 130      31.902  30.258  44.697  1.00 38.19      A       
+ATOM   1712  HZ3 LYS A 130      31.084  29.141  45.668  1.00 38.19      A       
+ATOM   1713  C   LYS A 130      35.249  27.026  40.129  1.00 51.93      A       
+ATOM   1714  O   LYS A 130      34.223  26.510  39.574  1.00 51.24      A       
+ATOM   1715  N   ALA A 131      36.259  27.423  39.424  1.00 49.35      A       
+ATOM   1716  HN  ALA A 131      37.068  27.738  39.879  1.00 38.19      A       
+ATOM   1717  CA  ALA A 131      36.215  27.415  37.953  1.00 48.06      A       
+ATOM   1718  HA  ALA A 131      35.178  27.379  37.652  1.00 38.19      A       
+ATOM   1719  CB  ALA A 131      36.816  28.682  37.402  1.00 44.77      A       
+ATOM   1720  HB1 ALA A 131      36.358  29.535  37.880  1.00 38.19      A       
+ATOM   1721  HB2 ALA A 131      36.641  28.730  36.337  1.00 38.19      A       
+ATOM   1722  HB3 ALA A 131      37.879  28.691  37.593  1.00 38.19      A       
+ATOM   1723  C   ALA A 131      36.971  26.201  37.318  1.00 63.44      A       
+ATOM   1724  O   ALA A 131      37.952  25.713  37.769  1.00 67.73      A       
+ATOM   1725  N   LYS A 132      36.327  25.865  36.181  1.00 57.18      A       
+ATOM   1726  HN  LYS A 132      35.503  26.338  35.939  1.00 38.19      A       
+ATOM   1727  CA  LYS A 132      36.828  24.808  35.303  1.00 51.69      A       
+ATOM   1728  HA  LYS A 132      36.788  23.874  35.845  1.00 38.19      A       
+ATOM   1729  CB  LYS A 132      35.840  24.718  34.029  1.00 57.78      A       
+ATOM   1730  HB1 LYS A 132      35.907  25.635  33.464  1.00 38.19      A       
+ATOM   1731  HB2 LYS A 132      34.824  24.584  34.375  1.00 38.19      A       
+ATOM   1732  CG  LYS A 132      36.215  23.508  33.068  1.00 61.18      A       
+ATOM   1733  HG1 LYS A 132      36.954  22.890  33.557  1.00 38.19      A       
+ATOM   1734  HG2 LYS A 132      36.625  23.905  32.152  1.00 38.19      A       
+ATOM   1735  CD  LYS A 132      34.996  22.661  32.734  1.00 38.19      A       
+ATOM   1736  HD1 LYS A 132      34.255  23.285  32.258  1.00 38.19      A       
+ATOM   1737  HD2 LYS A 132      34.593  22.255  33.650  1.00 38.19      A       
+ATOM   1738  CE  LYS A 132      35.351  21.514  31.803  1.00 38.19      A       
+ATOM   1739  HE1 LYS A 132      36.119  20.913  32.268  1.00 38.19      A       
+ATOM   1740  HE2 LYS A 132      35.725  21.922  30.876  1.00 38.19      A       
+ATOM   1741  NZ  LYS A 132      34.171  20.654  31.514  1.00 38.19      A       
+ATOM   1742  HZ1 LYS A 132      33.407  21.225  31.099  1.00 38.19      A       
+ATOM   1743  HZ2 LYS A 132      33.824  20.216  32.390  1.00 38.19      A       
+ATOM   1744  HZ3 LYS A 132      34.431  19.903  30.843  1.00 38.19      A       
+ATOM   1745  C   LYS A 132      38.252  25.097  34.934  1.00 46.05      A       
+ATOM   1746  O   LYS A 132      39.131  24.279  35.119  1.00 50.21      A       
+ATOM   1747  N   SER A 133      38.433  26.222  34.304  1.00 41.09      A       
+ATOM   1748  HN  SER A 133      37.656  26.778  34.083  1.00 38.19      A       
+ATOM   1749  CA  SER A 133      39.732  26.660  33.932  1.00 37.26      A       
+ATOM   1750  HA  SER A 133      40.439  26.250  34.639  1.00 38.19      A       
+ATOM   1751  CB  SER A 133      40.169  26.305  32.523  1.00 30.42      A       
+ATOM   1752  HB1 SER A 133      39.574  26.862  31.814  1.00 38.19      A       
+ATOM   1753  HB2 SER A 133      40.024  25.248  32.360  1.00 38.19      A       
+ATOM   1754  OG  SER A 133      41.528  26.611  32.314  1.00 45.22      A       
+ATOM   1755  HG  SER A 133      41.969  25.855  31.919  1.00 38.19      A       
+ATOM   1756  C   SER A 133      39.782  28.168  34.007  1.00 43.50      A       
+ATOM   1757  O   SER A 133      38.827  28.913  33.953  1.00 46.40      A       
+ATOM   1758  N   THR A 134      41.027  28.618  34.242  1.00 36.73      A       
+ATOM   1759  HN  THR A 134      41.771  27.980  34.265  1.00 38.19      A       
+ATOM   1760  CA  THR A 134      41.293  30.013  34.462  1.00 31.74      A       
+ATOM   1761  HA  THR A 134      40.364  30.491  34.731  1.00 38.19      A       
+ATOM   1762  CB  THR A 134      42.227  30.043  35.694  1.00 41.22      A       
+ATOM   1763  HB  THR A 134      42.483  29.025  35.951  1.00 38.19      A       
+ATOM   1764  OG1 THR A 134      41.605  30.654  36.813  1.00 47.26      A       
+ATOM   1765  HG1 THR A 134      40.983  31.319  36.510  1.00 38.19      A       
+ATOM   1766  CG2 THR A 134      43.503  30.777  35.361  1.00 60.67      A       
+ATOM   1767 HG21 THR A 134      44.046  30.987  36.271  1.00 38.19      A       
+ATOM   1768 HG22 THR A 134      43.265  31.705  34.861  1.00 38.19      A       
+ATOM   1769 HG23 THR A 134      44.112  30.165  34.713  1.00 38.19      A       
+ATOM   1770  C   THR A 134      41.824  30.650  33.202  1.00 30.77      A       
+ATOM   1771  O   THR A 134      41.677  31.891  32.957  1.00 26.70      A       
+ATOM   1772  N   LEU A 135      42.365  29.892  32.281  1.00 22.31      A       
+ATOM   1773  HN  LEU A 135      42.400  28.922  32.419  1.00 38.19      A       
+ATOM   1774  CA  LEU A 135      42.897  30.440  31.093  1.00 18.18      A       
+ATOM   1775  HA  LEU A 135      43.750  31.046  31.358  1.00 38.19      A       
+ATOM   1776  CB  LEU A 135      43.313  29.428  29.962  1.00 17.38      A       
+ATOM   1777  HB1 LEU A 135      43.944  29.935  29.248  1.00 38.19      A       
+ATOM   1778  HB2 LEU A 135      42.424  29.068  29.463  1.00 38.19      A       
+ATOM   1779  CG  LEU A 135      44.062  28.269  30.534  1.00 25.12      A       
+ATOM   1780  HG  LEU A 135      43.464  27.800  31.301  1.00 38.19      A       
+ATOM   1781  CD1 LEU A 135      44.320  27.253  29.451  1.00 15.56      A       
+ATOM   1782 HD11 LEU A 135      43.381  26.933  29.026  1.00 38.19      A       
+ATOM   1783 HD12 LEU A 135      44.834  26.401  29.871  1.00 38.19      A       
+ATOM   1784 HD13 LEU A 135      44.931  27.698  28.680  1.00 38.19      A       
+ATOM   1785  CD2 LEU A 135      45.388  28.697  31.160  1.00 25.43      A       
+ATOM   1786 HD21 LEU A 135      45.897  27.830  31.556  1.00 38.19      A       
+ATOM   1787 HD22 LEU A 135      45.199  29.400  31.959  1.00 38.19      A       
+ATOM   1788 HD23 LEU A 135      46.006  29.165  30.408  1.00 38.19      A       
+ATOM   1789  C   LEU A 135      41.827  31.338  30.444  1.00 29.52      A       
+ATOM   1790  O   LEU A 135      40.652  31.119  30.448  1.00 25.71      A       
+ATOM   1791  N   THR A 136      42.415  32.480  29.941  1.00 26.64      A       
+ATOM   1792  HN  THR A 136      43.389  32.578  29.990  1.00 38.19      A       
+ATOM   1793  CA  THR A 136      41.631  33.527  29.348  1.00 15.78      A       
+ATOM   1794  HA  THR A 136      40.604  33.195  29.314  1.00 38.19      A       
+ATOM   1795  CB  THR A 136      41.703  34.769  30.232  1.00 25.25      A       
+ATOM   1796  HB  THR A 136      42.717  35.140  30.213  1.00 38.19      A       
+ATOM   1797  OG1 THR A 136      41.378  34.441  31.530  1.00 15.59      A       
+ATOM   1798  HG1 THR A 136      41.438  33.490  31.645  1.00 38.19      A       
+ATOM   1799  CG2 THR A 136      40.788  35.867  29.701  1.00 21.46      A       
+ATOM   1800 HG21 THR A 136      40.869  36.739  30.333  1.00 38.19      A       
+ATOM   1801 HG22 THR A 136      39.766  35.516  29.701  1.00 38.19      A       
+ATOM   1802 HG23 THR A 136      41.081  36.124  28.694  1.00 38.19      A       
+ATOM   1803  C   THR A 136      42.097  33.818  27.945  1.00 21.10      A       
+ATOM   1804  O   THR A 136      43.104  34.418  27.661  1.00 20.79      A       
+ATOM   1805  N   PRO A 137      41.258  33.387  26.996  1.00 22.34      A       
+ATOM   1806  CA  PRO A 137      41.519  33.665  25.663  1.00 20.04      A       
+ATOM   1807  HA  PRO A 137      42.519  33.361  25.391  1.00 38.19      A       
+ATOM   1808  CB  PRO A 137      40.512  32.849  24.871  1.00 19.12      A       
+ATOM   1809  HB1 PRO A 137      41.001  32.422  24.008  1.00 38.19      A       
+ATOM   1810  HB2 PRO A 137      39.710  33.495  24.545  1.00 38.19      A       
+ATOM   1811  CG  PRO A 137      39.996  31.760  25.800  1.00 19.17      A       
+ATOM   1812  HG1 PRO A 137      40.475  30.820  25.567  1.00 38.19      A       
+ATOM   1813  HG2 PRO A 137      38.924  31.671  25.701  1.00 38.19      A       
+ATOM   1814  CD  PRO A 137      40.363  32.207  27.208  1.00 14.27      A       
+ATOM   1815  HD1 PRO A 137      40.887  31.418  27.727  1.00 38.19      A       
+ATOM   1816  HD2 PRO A 137      39.476  32.492  27.754  1.00 38.19      A       
+ATOM   1817  C   PRO A 137      41.341  35.185  25.337  1.00 33.89      A       
+ATOM   1818  O   PRO A 137      40.408  35.793  25.783  1.00 39.75      A       
+ATOM   1819  N   VAL A 138      42.325  35.647  24.551  1.00 28.72      A       
+ATOM   1820  HN  VAL A 138      43.086  35.065  24.348  1.00 38.19      A       
+ATOM   1821  CA  VAL A 138      42.289  36.985  23.995  1.00 22.65      A       
+ATOM   1822  HA  VAL A 138      41.389  37.469  24.345  1.00 38.19      A       
+ATOM   1823  CB  VAL A 138      43.489  37.811  24.458  1.00 22.45      A       
+ATOM   1824  HB  VAL A 138      44.388  37.310  24.136  1.00 38.19      A       
+ATOM   1825  CG1 VAL A 138      43.466  39.169  23.838  1.00 14.08      A       
+ATOM   1826 HG11 VAL A 138      42.571  39.689  24.145  1.00 38.19      A       
+ATOM   1827 HG12 VAL A 138      43.477  39.075  22.761  1.00 38.19      A       
+ATOM   1828 HG13 VAL A 138      44.333  39.726  24.159  1.00 38.19      A       
+ATOM   1829  CG2 VAL A 138      43.534  37.936  25.968  1.00 28.68      A       
+ATOM   1830 HG21 VAL A 138      44.410  38.499  26.256  1.00 38.19      A       
+ATOM   1831 HG22 VAL A 138      43.577  36.951  26.410  1.00 38.19      A       
+ATOM   1832 HG23 VAL A 138      42.648  38.447  26.313  1.00 38.19      A       
+ATOM   1833  C   VAL A 138      42.241  36.885  22.587  1.00 28.75      A       
+ATOM   1834  O   VAL A 138      43.280  36.417  21.927  1.00 24.50      A       
+ATOM   1835  N   VAL A 139      41.183  37.123  21.799  1.00 23.00      A       
+ATOM   1836  HN  VAL A 139      40.352  37.449  22.201  1.00 38.19      A       
+ATOM   1837  CA  VAL A 139      41.235  36.910  20.354  1.00 13.87      A       
+ATOM   1838  HA  VAL A 139      42.272  36.823  20.065  1.00 38.19      A       
+ATOM   1839  CB  VAL A 139      40.506  35.617  19.931  1.00 24.08      A       
+ATOM   1840  HB  VAL A 139      41.019  35.204  19.077  1.00 38.19      A       
+ATOM   1841  CG1 VAL A 139      40.526  34.573  21.049  1.00 24.05      A       
+ATOM   1842 HG11 VAL A 139      40.018  33.680  20.716  1.00 38.19      A       
+ATOM   1843 HG12 VAL A 139      40.024  34.969  21.919  1.00 38.19      A       
+ATOM   1844 HG13 VAL A 139      41.549  34.334  21.302  1.00 38.19      A       
+ATOM   1845  CG2 VAL A 139      39.039  35.869  19.535  1.00 27.87      A       
+ATOM   1846 HG21 VAL A 139      38.576  34.933  19.257  1.00 38.19      A       
+ATOM   1847 HG22 VAL A 139      39.003  36.551  18.699  1.00 38.19      A       
+ATOM   1848 HG23 VAL A 139      38.510  36.300  20.373  1.00 38.19      A       
+ATOM   1849  C   VAL A 139      40.577  38.084  19.543  1.00 19.93      A       
+ATOM   1850  O   VAL A 139      39.896  38.914  19.937  1.00 23.32      A       
+ATOM   1851  N   ILE A 140      41.180  38.123  18.220  1.00 30.94      A       
+ATOM   1852  HN  ILE A 140      41.896  37.490  18.000  1.00 38.19      A       
+ATOM   1853  CA  ILE A 140      40.758  39.056  17.241  1.00 30.09      A       
+ATOM   1854  HA  ILE A 140      40.388  39.932  17.752  1.00 38.19      A       
+ATOM   1855  CB  ILE A 140      41.849  39.505  16.228  1.00 31.61      A       
+ATOM   1856  HB  ILE A 140      42.444  38.643  15.968  1.00 38.19      A       
+ATOM   1857  CG1 ILE A 140      42.731  40.558  16.784  1.00 36.45      A       
+ATOM   1858 HG11 ILE A 140      42.226  41.048  17.602  1.00 38.19      A       
+ATOM   1859 HG12 ILE A 140      42.951  41.281  16.013  1.00 38.19      A       
+ATOM   1860  CG2 ILE A 140      41.216  40.034  14.967  1.00 30.31      A       
+ATOM   1861 HG21 ILE A 140      40.641  40.918  15.196  1.00 38.19      A       
+ATOM   1862 HG22 ILE A 140      40.565  39.280  14.546  1.00 38.19      A       
+ATOM   1863 HG23 ILE A 140      41.987  40.282  14.253  1.00 38.19      A       
+ATOM   1864  CD1 ILE A 140      44.043  40.017  17.304  1.00 40.28      A       
+ATOM   1865 HD11 ILE A 140      43.851  39.296  18.085  1.00 38.19      A       
+ATOM   1866 HD12 ILE A 140      44.635  40.828  17.701  1.00 38.19      A       
+ATOM   1867 HD13 ILE A 140      44.580  39.539  16.498  1.00 38.19      A       
+ATOM   1868  C   ILE A 140      39.654  38.462  16.434  1.00 33.69      A       
+ATOM   1869  O   ILE A 140      39.851  37.373  15.907  1.00 25.32      A       
+ATOM   1870  N   SER A 141      38.465  39.050  16.548  1.00 30.41      A       
+ATOM   1871  HN  SER A 141      38.402  39.912  17.009  1.00 38.19      A       
+ATOM   1872  CA  SER A 141      37.249  38.442  16.007  1.00 32.23      A       
+ATOM   1873  HA  SER A 141      37.346  37.370  16.090  1.00 38.19      A       
+ATOM   1874  CB  SER A 141      36.035  38.904  16.830  1.00 38.06      A       
+ATOM   1875  HB1 SER A 141      35.847  38.191  17.618  1.00 38.19      A       
+ATOM   1876  HB2 SER A 141      35.168  38.964  16.186  1.00 38.19      A       
+ATOM   1877  OG  SER A 141      36.264  40.195  17.419  1.00 55.81      A       
+ATOM   1878  HG  SER A 141      36.736  40.089  18.248  1.00 38.19      A       
+ATOM   1879  C   SER A 141      37.040  38.821  14.485  1.00 44.65      A       
+ATOM   1880  O   SER A 141      36.357  37.988  13.838  1.00 60.84      A       
+ATOM   1881  N   ASN A 142      37.658  39.817  13.984  1.00 35.08      A       
+ATOM   1882  HN  ASN A 142      38.208  40.380  14.566  1.00 38.19      A       
+ATOM   1883  CA  ASN A 142      37.564  40.141  12.558  1.00 30.21      A       
+ATOM   1884  HA  ASN A 142      36.788  39.527  12.126  1.00 38.19      A       
+ATOM   1885  CB  ASN A 142      37.162  41.615  12.445  1.00 12.37      A       
+ATOM   1886  HB1 ASN A 142      36.222  41.767  12.953  1.00 38.19      A       
+ATOM   1887  HB2 ASN A 142      37.053  41.876  11.403  1.00 38.19      A       
+ATOM   1888  CG  ASN A 142      38.195  42.522  13.061  1.00 37.23      A       
+ATOM   1889  OD1 ASN A 142      38.962  42.061  13.932  1.00 25.08      A       
+ATOM   1890  ND2 ASN A 142      38.281  43.750  12.595  1.00 12.94      A       
+ATOM   1891 HD21 ASN A 142      37.673  44.014  11.872  1.00 38.19      A       
+ATOM   1892 HD22 ASN A 142      38.949  44.349  12.988  1.00 38.19      A       
+ATOM   1893  C   ASN A 142      38.931  39.846  11.810  1.00 28.46      A       
+ATOM   1894  O   ASN A 142      39.632  40.729  11.375  1.00 27.70      A       
+ATOM   1895  N   MET A 143      39.175  38.533  11.770  1.00 31.30      A       
+ATOM   1896  HN  MET A 143      38.502  37.910  12.117  1.00 38.19      A       
+ATOM   1897  CA  MET A 143      40.441  37.995  11.214  1.00 34.71      A       
+ATOM   1898  HA  MET A 143      41.262  38.458  11.742  1.00 38.19      A       
+ATOM   1899  CB  MET A 143      40.562  36.445  11.332  1.00 33.32      A       
+ATOM   1900  HB1 MET A 143      41.305  36.093  10.633  1.00 38.19      A       
+ATOM   1901  HB2 MET A 143      39.607  35.998  11.095  1.00 38.19      A       
+ATOM   1902  CG  MET A 143      40.978  36.000  12.762  1.00 32.14      A       
+ATOM   1903  HG1 MET A 143      41.095  34.926  12.771  1.00 38.19      A       
+ATOM   1904  HG2 MET A 143      40.198  36.282  13.452  1.00 38.19      A       
+ATOM   1905  SD  MET A 143      42.532  36.761  13.304  1.00 36.07      A       
+ATOM   1906  CE  MET A 143      43.704  35.786  12.339  1.00 36.00      A       
+ATOM   1907  HE1 MET A 143      43.600  34.742  12.594  1.00 38.19      A       
+ATOM   1908  HE2 MET A 143      44.710  36.112  12.559  1.00 38.19      A       
+ATOM   1909  HE3 MET A 143      43.504  35.921  11.286  1.00 38.19      A       
+ATOM   1910  C   MET A 143      40.566  38.323   9.688  1.00 55.20      A       
+ATOM   1911  O   MET A 143      41.702  38.413   9.177  1.00 56.94      A       
+ATOM   1912  N   ASP A 144      39.456  38.318   8.982  1.00 50.09      A       
+ATOM   1913  HN  ASP A 144      38.598  38.179   9.437  1.00 38.19      A       
+ATOM   1914  CA  ASP A 144      39.472  38.514   7.553  1.00 44.41      A       
+ATOM   1915  HA  ASP A 144      40.134  37.777   7.122  1.00 38.19      A       
+ATOM   1916  CB  ASP A 144      38.058  38.396   6.879  1.00 49.34      A       
+ATOM   1917  HB1 ASP A 144      38.173  38.396   5.805  1.00 38.19      A       
+ATOM   1918  HB2 ASP A 144      37.450  39.239   7.174  1.00 38.19      A       
+ATOM   1919  CG  ASP A 144      37.343  37.113   7.293  1.00 75.00      A       
+ATOM   1920  OD1 ASP A 144      37.222  36.985   8.576  1.00 75.00      A       
+ATOM   1921  OD2 ASP A 144      36.866  36.317   6.482  1.00 75.00      A       
+ATOM   1922  C   ASP A 144      40.015  39.907   7.250  1.00 38.11      A       
+ATOM   1923  O   ASP A 144      40.518  40.115   6.133  1.00 46.10      A       
+ATOM   1924  N   GLU A 145      40.020  40.776   8.218  1.00 33.06      A       
+ATOM   1925  HN  GLU A 145      39.626  40.533   9.082  1.00 38.19      A       
+ATOM   1926  CA  GLU A 145      40.594  42.092   8.049  1.00 38.20      A       
+ATOM   1927  HA  GLU A 145      40.514  42.361   7.006  1.00 38.19      A       
+ATOM   1928  CB  GLU A 145      39.882  43.167   8.910  1.00 41.99      A       
+ATOM   1929  HB1 GLU A 145      40.559  43.988   9.086  1.00 38.19      A       
+ATOM   1930  HB2 GLU A 145      39.595  42.730   9.856  1.00 38.19      A       
+ATOM   1931  CG  GLU A 145      38.618  43.715   8.213  1.00 54.80      A       
+ATOM   1932  HG1 GLU A 145      38.568  43.308   7.214  1.00 38.19      A       
+ATOM   1933  HG2 GLU A 145      38.690  44.791   8.159  1.00 38.19      A       
+ATOM   1934  CD  GLU A 145      37.333  43.351   8.954  1.00 75.00      A       
+ATOM   1935  OE1 GLU A 145      36.933  42.137   8.711  1.00 75.00      A       
+ATOM   1936  OE2 GLU A 145      36.773  44.136   9.716  1.00 75.00      A       
+ATOM   1937  C   GLU A 145      42.048  42.041   8.434  1.00 51.13      A       
+ATOM   1938  O   GLU A 145      42.728  43.115   8.517  1.00 60.66      A       
+ATOM   1939  N   ILE A 146      42.606  40.905   8.768  1.00 46.98      A       
+ATOM   1940  HN  ILE A 146      42.091  40.076   8.685  1.00 38.19      A       
+ATOM   1941  CA  ILE A 146      43.969  40.845   9.255  1.00 42.94      A       
+ATOM   1942  HA  ILE A 146      44.284  41.852   9.483  1.00 38.19      A       
+ATOM   1943  CB  ILE A 146      44.161  39.977  10.529  1.00 42.98      A       
+ATOM   1944  HB  ILE A 146      43.213  39.523  10.780  1.00 38.19      A       
+ATOM   1945  CG1 ILE A 146      44.558  40.885  11.594  1.00 34.62      A       
+ATOM   1946 HG11 ILE A 146      45.396  41.478  11.262  1.00 38.19      A       
+ATOM   1947 HG12 ILE A 146      44.845  40.310  12.463  1.00 38.19      A       
+ATOM   1948  CG2 ILE A 146      45.179  38.858  10.283  1.00 49.17      A       
+ATOM   1949 HG21 ILE A 146      45.297  38.273  11.183  1.00 38.19      A       
+ATOM   1950 HG22 ILE A 146      46.129  39.291  10.008  1.00 38.19      A       
+ATOM   1951 HG23 ILE A 146      44.828  38.222   9.484  1.00 38.19      A       
+ATOM   1952  CD1 ILE A 146      43.453  41.828  11.998  1.00 34.97      A       
+ATOM   1953 HD11 ILE A 146      43.149  42.413  11.143  1.00 38.19      A       
+ATOM   1954 HD12 ILE A 146      43.809  42.487  12.777  1.00 38.19      A       
+ATOM   1955 HD13 ILE A 146      42.610  41.261  12.363  1.00 38.19      A       
+ATOM   1956  C   ILE A 146      44.910  40.261   8.201  1.00 41.79      A       
+ATOM   1957  O   ILE A 146      44.747  39.296   7.563  1.00 44.23      A       
+ATOM   1958  N   LYS A 147      46.030  41.079   8.126  1.00 29.52      A       
+ATOM   1959  HN  LYS A 147      46.084  41.871   8.701  1.00 38.19      A       
+ATOM   1960  CA  LYS A 147      47.121  40.788   7.219  1.00 31.58      A       
+ATOM   1961  HA  LYS A 147      46.710  40.307   6.344  1.00 38.19      A       
+ATOM   1962  CB  LYS A 147      47.818  42.063   6.805  1.00 31.22      A       
+ATOM   1963  HB1 LYS A 147      48.628  41.823   6.133  1.00 38.19      A       
+ATOM   1964  HB2 LYS A 147      48.212  42.553   7.683  1.00 38.19      A       
+ATOM   1965  CG  LYS A 147      46.882  43.007   6.105  1.00 75.00      A       
+ATOM   1966  HG1 LYS A 147      47.045  44.004   6.487  1.00 38.19      A       
+ATOM   1967  HG2 LYS A 147      45.866  42.705   6.310  1.00 38.19      A       
+ATOM   1968  CD  LYS A 147      47.095  43.016   4.596  1.00 75.00      A       
+ATOM   1969  HD1 LYS A 147      46.174  42.722   4.114  1.00 38.19      A       
+ATOM   1970  HD2 LYS A 147      47.869  42.305   4.351  1.00 38.19      A       
+ATOM   1971  CE  LYS A 147      47.513  44.401   4.065  1.00 75.00      A       
+ATOM   1972  HE1 LYS A 147      46.842  44.681   3.265  1.00 38.19      A       
+ATOM   1973  HE2 LYS A 147      48.519  44.337   3.682  1.00 38.19      A       
+ATOM   1974  NZ  LYS A 147      47.469  45.428   5.110  1.00 75.00      A       
+ATOM   1975  HZ1 LYS A 147      47.761  46.348   4.721  1.00 38.19      A       
+ATOM   1976  HZ2 LYS A 147      48.108  45.175   5.890  1.00 38.19      A       
+ATOM   1977  HZ3 LYS A 147      46.502  45.515   5.484  1.00 38.19      A       
+ATOM   1978  C   LYS A 147      48.109  39.850   7.879  1.00 39.87      A       
+ATOM   1979  O   LYS A 147      48.378  38.755   7.395  1.00 37.67      A       
+ATOM   1980  N   GLU A 148      48.645  40.372   8.986  1.00 42.38      A       
+ATOM   1981  HN  GLU A 148      48.357  41.260   9.284  1.00 38.19      A       
+ATOM   1982  CA  GLU A 148      49.657  39.646   9.767  1.00 38.15      A       
+ATOM   1983  HA  GLU A 148      49.655  38.616   9.441  1.00 38.19      A       
+ATOM   1984  CB  GLU A 148      51.055  40.239   9.558  1.00 37.96      A       
+ATOM   1985  HB1 GLU A 148      51.133  41.166  10.107  1.00 38.19      A       
+ATOM   1986  HB2 GLU A 148      51.205  40.433   8.506  1.00 38.19      A       
+ATOM   1987  CG  GLU A 148      52.148  39.298  10.042  1.00 44.67      A       
+ATOM   1988  HG1 GLU A 148      51.829  38.280   9.874  1.00 38.19      A       
+ATOM   1989  HG2 GLU A 148      52.298  39.457  11.099  1.00 38.19      A       
+ATOM   1990  CD  GLU A 148      53.481  39.518   9.324  1.00 64.37      A       
+ATOM   1991  OE1 GLU A 148      54.155  40.509   9.450  1.00 71.43      A       
+ATOM   1992  OE2 GLU A 148      53.842  38.468   8.629  1.00 33.91      A       
+ATOM   1993  C   GLU A 148      49.317  39.698  11.256  1.00 37.49      A       
+ATOM   1994  O   GLU A 148      48.951  40.730  11.801  1.00 35.86      A       
+ATOM   1995  N   LEU A 149      49.555  38.553  11.892  1.00 30.40      A       
+ATOM   1996  HN  LEU A 149      49.865  37.777  11.379  1.00 38.19      A       
+ATOM   1997  CA  LEU A 149      49.366  38.426  13.324  1.00 28.54      A       
+ATOM   1998  HA  LEU A 149      49.203  39.414  13.729  1.00 38.19      A       
+ATOM   1999  CB  LEU A 149      48.126  37.559  13.592  1.00 25.07      A       
+ATOM   2000  HB1 LEU A 149      48.309  36.557  13.233  1.00 38.19      A       
+ATOM   2001  HB2 LEU A 149      47.280  37.979  13.067  1.00 38.19      A       
+ATOM   2002  CG  LEU A 149      47.828  37.503  15.034  1.00 33.91      A       
+ATOM   2003  HG  LEU A 149      48.661  37.055  15.554  1.00 38.19      A       
+ATOM   2004  CD1 LEU A 149      47.634  38.894  15.574  1.00 41.99      A       
+ATOM   2005 HD11 LEU A 149      46.800  39.361  15.073  1.00 38.19      A       
+ATOM   2006 HD12 LEU A 149      48.529  39.475  15.402  1.00 38.19      A       
+ATOM   2007 HD13 LEU A 149      47.435  38.845  16.634  1.00 38.19      A       
+ATOM   2008  CD2 LEU A 149      46.592  36.675  15.325  1.00 29.13      A       
+ATOM   2009 HD21 LEU A 149      45.734  37.132  14.855  1.00 38.19      A       
+ATOM   2010 HD22 LEU A 149      46.433  36.627  16.393  1.00 38.19      A       
+ATOM   2011 HD23 LEU A 149      46.726  35.677  14.935  1.00 38.19      A       
+ATOM   2012  C   LEU A 149      50.626  37.826  13.962  1.00 39.16      A       
+ATOM   2013  O   LEU A 149      50.966  36.668  13.700  1.00 35.05      A       
+ATOM   2014  N   ILE A 150      51.324  38.584  14.792  1.00 34.22      A       
+ATOM   2015  HN  ILE A 150      51.040  39.509  14.951  1.00 38.19      A       
+ATOM   2016  CA  ILE A 150      52.526  38.069  15.487  1.00 30.69      A       
+ATOM   2017  HA  ILE A 150      52.763  37.099  15.074  1.00 38.19      A       
+ATOM   2018  CB  ILE A 150      53.756  38.972  15.337  1.00 35.71      A       
+ATOM   2019  HB  ILE A 150      53.464  39.984  15.575  1.00 38.19      A       
+ATOM   2020  CG1 ILE A 150      54.336  38.938  13.943  1.00 29.12      A       
+ATOM   2021 HG11 ILE A 150      53.720  38.313  13.314  1.00 38.19      A       
+ATOM   2022 HG12 ILE A 150      55.338  38.538  13.980  1.00 38.19      A       
+ATOM   2023  CG2 ILE A 150      54.844  38.547  16.325  1.00 34.00      A       
+ATOM   2024 HG21 ILE A 150      55.116  37.518  16.142  1.00 38.19      A       
+ATOM   2025 HG22 ILE A 150      54.473  38.647  17.334  1.00 38.19      A       
+ATOM   2026 HG23 ILE A 150      55.712  39.177  16.197  1.00 38.19      A       
+ATOM   2027  CD1 ILE A 150      54.399  40.291  13.332  1.00 65.03      A       
+ATOM   2028 HD11 ILE A 150      55.025  40.930  13.937  1.00 38.19      A       
+ATOM   2029 HD12 ILE A 150      53.404  40.707  13.277  1.00 38.19      A       
+ATOM   2030 HD13 ILE A 150      54.815  40.218  12.339  1.00 38.19      A       
+ATOM   2031  C   ILE A 150      52.287  37.928  16.957  1.00 27.63      A       
+ATOM   2032  O   ILE A 150      52.156  38.956  17.651  1.00 24.30      A       
+ATOM   2033  N   LYS A 151      52.194  36.732  17.395  1.00 23.32      A       
+ATOM   2034  HN  LYS A 151      52.284  35.985  16.768  1.00 38.19      A       
+ATOM   2035  CA  LYS A 151      51.960  36.457  18.789  1.00 18.85      A       
+ATOM   2036  HA  LYS A 151      51.290  37.214  19.172  1.00 38.19      A       
+ATOM   2037  CB  LYS A 151      51.359  35.101  19.020  1.00 18.51      A       
+ATOM   2038  HB1 LYS A 151      50.914  35.074  20.003  1.00 38.19      A       
+ATOM   2039  HB2 LYS A 151      52.138  34.355  18.960  1.00 38.19      A       
+ATOM   2040  CG  LYS A 151      50.286  34.766  17.999  1.00 24.20      A       
+ATOM   2041  HG1 LYS A 151      50.745  34.678  17.025  1.00 38.19      A       
+ATOM   2042  HG2 LYS A 151      49.556  35.561  17.985  1.00 38.19      A       
+ATOM   2043  CD  LYS A 151      49.585  33.460  18.335  1.00 22.90      A       
+ATOM   2044  HD1 LYS A 151      49.050  33.586  19.265  1.00 38.19      A       
+ATOM   2045  HD2 LYS A 151      50.331  32.690  18.455  1.00 38.19      A       
+ATOM   2046  CE  LYS A 151      48.597  33.015  17.257  1.00 23.67      A       
+ATOM   2047  HE1 LYS A 151      49.131  32.881  16.327  1.00 38.19      A       
+ATOM   2048  HE2 LYS A 151      47.845  33.779  17.135  1.00 38.19      A       
+ATOM   2049  NZ  LYS A 151      47.938  31.741  17.625  1.00 42.06      A       
+ATOM   2050  HZ1 LYS A 151      47.283  31.447  16.873  1.00 38.19      A       
+ATOM   2051  HZ2 LYS A 151      47.404  31.857  18.509  1.00 38.19      A       
+ATOM   2052  HZ3 LYS A 151      48.651  30.996  17.760  1.00 38.19      A       
+ATOM   2053  C   LYS A 151      53.286  36.516  19.577  1.00 31.17      A       
+ATOM   2054  O   LYS A 151      54.308  35.930  19.229  1.00 39.14      A       
+ATOM   2055  N   LEU A 152      53.275  37.147  20.753  1.00 30.75      A       
+ATOM   2056  HN  LEU A 152      52.450  37.581  21.058  1.00 38.19      A       
+ATOM   2057  CA  LEU A 152      54.467  37.205  21.596  1.00 27.29      A       
+ATOM   2058  HA  LEU A 152      55.324  36.981  20.978  1.00 38.19      A       
+ATOM   2059  CB  LEU A 152      54.609  38.597  22.156  1.00 27.97      A       
+ATOM   2060  HB1 LEU A 152      55.545  38.672  22.688  1.00 38.19      A       
+ATOM   2061  HB2 LEU A 152      53.792  38.791  22.838  1.00 38.19      A       
+ATOM   2062  CG  LEU A 152      54.594  39.606  21.067  1.00 28.43      A       
+ATOM   2063  HG  LEU A 152      53.668  39.525  20.518  1.00 38.19      A       
+ATOM   2064  CD1 LEU A 152      54.696  41.020  21.622  1.00 25.94      A       
+ATOM   2065 HD11 LEU A 152      54.655  41.730  20.809  1.00 38.19      A       
+ATOM   2066 HD12 LEU A 152      55.630  41.132  22.151  1.00 38.19      A       
+ATOM   2067 HD13 LEU A 152      53.875  41.201  22.300  1.00 38.19      A       
+ATOM   2068  CD2 LEU A 152      55.709  39.341  20.128  1.00 26.02      A       
+ATOM   2069 HD21 LEU A 152      55.616  38.342  19.731  1.00 38.19      A       
+ATOM   2070 HD22 LEU A 152      56.649  39.435  20.653  1.00 38.19      A       
+ATOM   2071 HD23 LEU A 152      55.676  40.055  19.318  1.00 38.19      A       
+ATOM   2072  C   LEU A 152      54.367  36.184  22.672  1.00 33.25      A       
+ATOM   2073  O   LEU A 152      53.528  35.271  22.715  1.00 29.78      A       
+ATOM   2074  N   SER A 153      55.333  36.144  23.594  1.00 40.46      A       
+ATOM   2075  HN  SER A 153      56.035  36.827  23.579  1.00 38.19      A       
+ATOM   2076  CA  SER A 153      55.371  35.100  24.632  1.00 45.96      A       
+ATOM   2077  HA  SER A 153      54.357  34.783  24.825  1.00 38.19      A       
+ATOM   2078  CB  SER A 153      56.178  33.922  24.155  1.00 51.95      A       
+ATOM   2079  HB1 SER A 153      55.765  33.558  23.227  1.00 38.19      A       
+ATOM   2080  HB2 SER A 153      56.140  33.139  24.898  1.00 38.19      A       
+ATOM   2081  OG  SER A 153      57.538  34.283  23.940  1.00 64.36      A       
+ATOM   2082  HG  SER A 153      58.083  33.909  24.637  1.00 38.19      A       
+ATOM   2083  C   SER A 153      55.979  35.645  25.929  1.00 53.96      A       
+ATOM   2084  O   SER A 153      56.628  36.649  26.091  1.00 52.30      A       
+ATOM   2085  N   GLY A 154      55.689  34.874  27.025  1.00 57.16      A       
+ATOM   2086  HN  GLY A 154      55.109  34.092  26.920  1.00 38.19      A       
+ATOM   2087  CA  GLY A 154      56.227  35.197  28.327  1.00 56.07      A       
+ATOM   2088  HA1 GLY A 154      56.929  36.012  28.223  1.00 38.19      A       
+ATOM   2089  HA2 GLY A 154      56.750  34.334  28.711  1.00 38.19      A       
+ATOM   2090  C   GLY A 154      55.139  35.606  29.332  1.00 44.25      A       
+ATOM   2091  O   GLY A 154      53.990  35.300  29.355  1.00 44.67      A       
+ATOM   2092  N   SER A 155      55.705  36.334  30.341  1.00 30.51      A       
+ATOM   2093  HN  SER A 155      56.668  36.516  30.317  1.00 38.19      A       
+ATOM   2094  CA  SER A 155      54.927  36.838  31.431  1.00 34.07      A       
+ATOM   2095  HA  SER A 155      54.032  36.239  31.508  1.00 38.19      A       
+ATOM   2096  CB  SER A 155      55.730  36.702  32.705  1.00 39.99      A       
+ATOM   2097  HB1 SER A 155      55.065  36.756  33.554  1.00 38.19      A       
+ATOM   2098  HB2 SER A 155      56.450  37.505  32.761  1.00 38.19      A       
+ATOM   2099  OG  SER A 155      56.421  35.474  32.748  1.00 57.47      A       
+ATOM   2100  HG  SER A 155      56.445  35.151  33.651  1.00 38.19      A       
+ATOM   2101  C   SER A 155      54.544  38.252  31.138  1.00 38.41      A       
+ATOM   2102  O   SER A 155      55.381  39.032  30.664  1.00 49.96      A       
+ATOM   2103  N   VAL A 156      53.318  38.622  31.355  1.00 25.55      A       
+ATOM   2104  HN  VAL A 156      52.678  37.974  31.715  1.00 38.19      A       
+ATOM   2105  CA  VAL A 156      52.877  39.975  31.072  1.00 27.25      A       
+ATOM   2106  HA  VAL A 156      53.736  40.550  30.756  1.00 38.19      A       
+ATOM   2107  CB  VAL A 156      51.880  39.931  29.919  1.00 31.86      A       
+ATOM   2108  HB  VAL A 156      51.334  40.862  29.903  1.00 38.19      A       
+ATOM   2109  CG1 VAL A 156      52.580  39.760  28.569  1.00 25.84      A       
+ATOM   2110 HG11 VAL A 156      53.286  40.564  28.425  1.00 38.19      A       
+ATOM   2111 HG12 VAL A 156      51.846  39.779  27.776  1.00 38.19      A       
+ATOM   2112 HG13 VAL A 156      53.102  38.815  28.552  1.00 38.19      A       
+ATOM   2113  CG2 VAL A 156      50.927  38.844  30.166  1.00 35.29      A       
+ATOM   2114 HG21 VAL A 156      51.454  37.903  30.191  1.00 38.19      A       
+ATOM   2115 HG22 VAL A 156      50.191  38.824  29.374  1.00 38.19      A       
+ATOM   2116 HG23 VAL A 156      50.433  39.004  31.113  1.00 38.19      A       
+ATOM   2117  C   VAL A 156      52.254  40.640  32.302  1.00 25.20      A       
+ATOM   2118  O   VAL A 156      51.785  39.902  33.137  1.00 27.36      A       
+ATOM   2119  N   THR A 157      52.188  41.948  32.251  1.00 21.87      A       
+ATOM   2120  HN  THR A 157      52.633  42.421  31.518  1.00 38.19      A       
+ATOM   2121  CA  THR A 157      51.479  42.704  33.244  1.00 22.23      A       
+ATOM   2122  HA  THR A 157      50.997  42.007  33.913  1.00 38.19      A       
+ATOM   2123  CB  THR A 157      52.446  43.549  34.056  1.00 23.56      A       
+ATOM   2124  HB  THR A 157      51.874  44.270  34.620  1.00 38.19      A       
+ATOM   2125  OG1 THR A 157      53.280  44.215  33.217  1.00 33.82      A       
+ATOM   2126  HG1 THR A 157      54.136  43.780  33.204  1.00 38.19      A       
+ATOM   2127  CG2 THR A 157      53.219  42.683  35.041  1.00 37.22      A       
+ATOM   2128 HG21 THR A 157      53.802  41.954  34.499  1.00 38.19      A       
+ATOM   2129 HG22 THR A 157      52.526  42.175  35.696  1.00 38.19      A       
+ATOM   2130 HG23 THR A 157      53.877  43.306  35.628  1.00 38.19      A       
+ATOM   2131  C   THR A 157      50.393  43.647  32.624  1.00 34.52      A       
+ATOM   2132  O   THR A 157      50.678  44.229  31.595  1.00 33.74      A       
+ATOM   2133  N   VAL A 158      49.318  43.599  33.350  1.00 36.55      A       
+ATOM   2134  HN  VAL A 158      49.304  43.029  34.147  1.00 38.19      A       
+ATOM   2135  CA  VAL A 158      48.076  44.407  32.989  1.00 35.58      A       
+ATOM   2136  HA  VAL A 158      47.493  43.830  32.287  1.00 38.19      A       
+ATOM   2137  CB  VAL A 158      47.218  44.683  34.207  1.00 33.32      A       
+ATOM   2138  HB  VAL A 158      47.267  45.740  34.422  1.00 38.19      A       
+ATOM   2139  CG1 VAL A 158      45.769  44.329  33.912  1.00 29.11      A       
+ATOM   2140 HG11 VAL A 158      45.406  44.948  33.105  1.00 38.19      A       
+ATOM   2141 HG12 VAL A 158      45.171  44.501  34.795  1.00 38.19      A       
+ATOM   2142 HG13 VAL A 158      45.702  43.290  33.627  1.00 38.19      A       
+ATOM   2143  CG2 VAL A 158      47.751  43.924  35.422  1.00 33.97      A       
+ATOM   2144 HG21 VAL A 158      47.115  44.118  36.274  1.00 38.19      A       
+ATOM   2145 HG22 VAL A 158      48.755  44.255  35.640  1.00 38.19      A       
+ATOM   2146 HG23 VAL A 158      47.758  42.864  35.212  1.00 38.19      A       
+ATOM   2147  C   VAL A 158      48.387  45.782  32.369  1.00 39.79      A       
+ATOM   2148  O   VAL A 158      48.988  46.624  33.012  1.00 46.08      A       
+ATOM   2149  N   GLY A 159      47.735  46.014  31.223  1.00 23.67      A       
+ATOM   2150  HN  GLY A 159      47.201  45.296  30.824  1.00 38.19      A       
+ATOM   2151  CA  GLY A 159      47.806  47.287  30.577  1.00 16.79      A       
+ATOM   2152  HA1 GLY A 159      47.303  48.019  31.192  1.00 38.19      A       
+ATOM   2153  HA2 GLY A 159      47.299  47.224  29.626  1.00 38.19      A       
+ATOM   2154  C   GLY A 159      49.185  47.727  30.347  1.00 24.83      A       
+ATOM   2155  O   GLY A 159      49.471  48.929  30.075  1.00 37.81      A       
+ATOM   2156  N   GLU A 160      50.201  46.884  30.376  1.00 24.13      A       
+ATOM   2157  HN  GLU A 160      50.034  45.939  30.577  1.00 38.19      A       
+ATOM   2158  CA  GLU A 160      51.562  47.329  30.117  1.00 25.76      A       
+ATOM   2159  HA  GLU A 160      51.515  48.337  29.733  1.00 38.19      A       
+ATOM   2160  CB  GLU A 160      52.381  47.322  31.423  1.00 22.97      A       
+ATOM   2161  HB1 GLU A 160      53.397  47.613  31.206  1.00 38.19      A       
+ATOM   2162  HB2 GLU A 160      52.375  46.326  31.842  1.00 38.19      A       
+ATOM   2163  CG  GLU A 160      51.814  48.277  32.438  1.00 30.87      A       
+ATOM   2164  HG1 GLU A 160      50.826  47.943  32.716  1.00 38.19      A       
+ATOM   2165  HG2 GLU A 160      51.750  49.261  31.995  1.00 38.19      A       
+ATOM   2166  CD  GLU A 160      52.668  48.362  33.691  1.00 39.73      A       
+ATOM   2167  OE1 GLU A 160      53.145  47.216  34.002  1.00 37.93      A       
+ATOM   2168  OE2 GLU A 160      52.841  49.418  34.321  1.00 30.17      A       
+ATOM   2169  C   GLU A 160      52.198  46.434  29.070  1.00 33.68      A       
+ATOM   2170  O   GLU A 160      52.716  47.035  28.034  1.00 35.90      A       
+ATOM   2171  N   THR A 161      52.265  45.204  29.198  1.00 15.46      A       
+ATOM   2172  HN  THR A 161      51.811  44.776  29.953  1.00 38.19      A       
+ATOM   2173  CA  THR A 161      53.003  44.383  28.252  1.00 17.37      A       
+ATOM   2174  HA  THR A 161      53.860  44.950  27.921  1.00 38.19      A       
+ATOM   2175  CB  THR A 161      53.510  43.137  28.984  1.00 30.01      A       
+ATOM   2176  HB  THR A 161      52.690  42.442  29.085  1.00 38.19      A       
+ATOM   2177  OG1 THR A 161      53.999  43.458  30.275  1.00 28.07      A       
+ATOM   2178  HG1 THR A 161      53.364  44.017  30.728  1.00 38.19      A       
+ATOM   2179  CG2 THR A 161      54.564  42.500  28.134  1.00 26.05      A       
+ATOM   2180 HG21 THR A 161      55.375  43.196  27.986  1.00 38.19      A       
+ATOM   2181 HG22 THR A 161      54.142  42.229  27.177  1.00 38.19      A       
+ATOM   2182 HG23 THR A 161      54.937  41.614  28.626  1.00 38.19      A       
+ATOM   2183  C   THR A 161      52.152  43.990  27.015  1.00 22.49      A       
+ATOM   2184  O   THR A 161      51.046  43.637  27.022  1.00 38.16      A       
+ATOM   2185  N   PRO A 162      52.839  44.112  25.800  1.00 25.45      A       
+ATOM   2186  CA  PRO A 162      52.299  43.795  24.549  1.00 23.30      A       
+ATOM   2187  HA  PRO A 162      51.360  44.303  24.393  1.00 38.19      A       
+ATOM   2188  CB  PRO A 162      53.264  44.222  23.502  1.00 23.95      A       
+ATOM   2189  HB1 PRO A 162      52.742  44.802  22.755  1.00 38.19      A       
+ATOM   2190  HB2 PRO A 162      53.696  43.347  23.038  1.00 38.19      A       
+ATOM   2191  CG  PRO A 162      54.331  45.061  24.189  1.00 22.96      A       
+ATOM   2192  HG1 PRO A 162      54.337  46.056  23.772  1.00 38.19      A       
+ATOM   2193  HG2 PRO A 162      55.298  44.596  24.066  1.00 38.19      A       
+ATOM   2194  CD  PRO A 162      53.950  45.111  25.677  1.00 23.06      A       
+ATOM   2195  HD1 PRO A 162      53.609  46.100  25.944  1.00 38.19      A       
+ATOM   2196  HD2 PRO A 162      54.792  44.825  26.290  1.00 38.19      A       
+ATOM   2197  C   PRO A 162      52.090  42.351  24.396  1.00 28.50      A       
+ATOM   2198  O   PRO A 162      53.005  41.554  24.719  1.00 33.83      A       
+ATOM   2199  N   VAL A 163      51.038  41.866  23.853  1.00 21.13      A       
+ATOM   2200  HN  VAL A 163      50.326  42.473  23.564  1.00 38.19      A       
+ATOM   2201  CA  VAL A 163      50.875  40.450  23.660  1.00 19.69      A       
+ATOM   2202  HA  VAL A 163      51.718  39.950  24.115  1.00 38.19      A       
+ATOM   2203  CB  VAL A 163      49.655  40.075  24.407  1.00 25.12      A       
+ATOM   2204  HB  VAL A 163      49.527  39.006  24.335  1.00 38.19      A       
+ATOM   2205  CG1 VAL A 163      49.845  40.429  25.850  1.00 27.17      A       
+ATOM   2206 HG11 VAL A 163      48.988  40.099  26.418  1.00 38.19      A       
+ATOM   2207 HG12 VAL A 163      49.949  41.499  25.945  1.00 38.19      A       
+ATOM   2208 HG13 VAL A 163      50.735  39.946  26.227  1.00 38.19      A       
+ATOM   2209  CG2 VAL A 163      48.405  40.745  23.848  1.00 28.31      A       
+ATOM   2210 HG21 VAL A 163      48.300  40.497  22.802  1.00 38.19      A       
+ATOM   2211 HG22 VAL A 163      48.494  41.815  23.957  1.00 38.19      A       
+ATOM   2212 HG23 VAL A 163      47.537  40.399  24.390  1.00 38.19      A       
+ATOM   2213  C   VAL A 163      50.797  40.051  22.169  1.00 27.15      A       
+ATOM   2214  O   VAL A 163      51.119  38.903  21.898  1.00 26.56      A       
+ATOM   2215  N   ILE A 164      50.426  40.950  21.301  1.00 26.17      A       
+ATOM   2216  HN  ILE A 164      50.224  41.860  21.606  1.00 38.19      A       
+ATOM   2217  CA  ILE A 164      50.312  40.634  19.907  1.00 16.63      A       
+ATOM   2218  HA  ILE A 164      51.002  39.832  19.687  1.00 38.19      A       
+ATOM   2219  CB  ILE A 164      48.943  40.170  19.589  1.00 18.45      A       
+ATOM   2220  HB  ILE A 164      48.242  40.872  20.013  1.00 38.19      A       
+ATOM   2221  CG1 ILE A 164      48.643  38.798  20.109  1.00 14.04      A       
+ATOM   2222 HG11 ILE A 164      49.266  38.600  20.968  1.00 38.19      A       
+ATOM   2223 HG12 ILE A 164      48.855  38.072  19.338  1.00 38.19      A       
+ATOM   2224  CG2 ILE A 164      48.770  40.181  18.093  1.00 30.71      A       
+ATOM   2225 HG21 ILE A 164      49.466  39.488  17.646  1.00 38.19      A       
+ATOM   2226 HG22 ILE A 164      48.959  41.175  17.715  1.00 38.19      A       
+ATOM   2227 HG23 ILE A 164      47.761  39.887  17.845  1.00 38.19      A       
+ATOM   2228  CD1 ILE A 164      47.193  38.627  20.531  1.00 13.02      A       
+ATOM   2229 HD11 ILE A 164      46.960  39.334  21.314  1.00 38.19      A       
+ATOM   2230 HD12 ILE A 164      47.041  37.622  20.897  1.00 38.19      A       
+ATOM   2231 HD13 ILE A 164      46.548  38.803  19.683  1.00 38.19      A       
+ATOM   2232  C   ILE A 164      50.642  41.836  19.014  1.00 29.18      A       
+ATOM   2233  O   ILE A 164      50.244  42.927  19.368  1.00 25.41      A       
+ATOM   2234  N   ARG A 165      51.220  41.504  17.901  1.00 32.04      A       
+ATOM   2235  HN  ARG A 165      51.438  40.562  17.736  1.00 38.19      A       
+ATOM   2236  CA  ARG A 165      51.559  42.517  16.874  1.00 32.07      A       
+ATOM   2237  HA  ARG A 165      51.427  43.496  17.313  1.00 38.19      A       
+ATOM   2238  CB  ARG A 165      52.975  42.343  16.481  1.00 57.82      A       
+ATOM   2239  HB1 ARG A 165      53.062  42.456  15.411  1.00 38.19      A       
+ATOM   2240  HB2 ARG A 165      53.300  41.351  16.762  1.00 38.19      A       
+ATOM   2241  CG  ARG A 165      53.872  43.340  17.134  1.00 75.00      A       
+ATOM   2242  HG1 ARG A 165      54.842  43.291  16.662  1.00 38.19      A       
+ATOM   2243  HG2 ARG A 165      53.971  43.083  18.178  1.00 38.19      A       
+ATOM   2244  CD  ARG A 165      53.353  44.760  17.035  1.00 75.00      A       
+ATOM   2245  HD1 ARG A 165      52.273  44.743  17.072  1.00 38.19      A       
+ATOM   2246  HD2 ARG A 165      53.676  45.185  16.096  1.00 38.19      A       
+ATOM   2247  NE  ARG A 165      53.852  45.577  18.121  1.00 75.00      A       
+ATOM   2248  HE  ARG A 165      53.765  45.232  19.035  1.00 38.19      A       
+ATOM   2249  CZ  ARG A 165      54.421  46.765  17.925  1.00 75.00      A       
+ATOM   2250  NH1 ARG A 165      54.568  47.335  16.757  1.00 75.00      A       
+ATOM   2251 HH11 ARG A 165      54.242  46.874  15.932  1.00 38.19      A       
+ATOM   2252 HH12 ARG A 165      55.006  48.231  16.690  1.00 38.19      A       
+ATOM   2253  NH2 ARG A 165      54.841  47.403  19.048  1.00 75.00      A       
+ATOM   2254 HH21 ARG A 165      54.713  46.976  19.943  1.00 38.19      A       
+ATOM   2255 HH22 ARG A 165      55.278  48.300  18.979  1.00 38.19      A       
+ATOM   2256  C   ARG A 165      50.661  42.383  15.709  1.00 44.00      A       
+ATOM   2257  O   ARG A 165      50.795  41.272  14.983  1.00 38.65      A       
+ATOM   2258  N   ILE A 166      49.882  43.264  15.239  1.00 43.83      A       
+ATOM   2259  HN  ILE A 166      49.759  44.103  15.729  1.00 38.19      A       
+ATOM   2260  CA  ILE A 166      49.177  43.064  14.007  1.00 39.84      A       
+ATOM   2261  HA  ILE A 166      49.498  42.122  13.588  1.00 38.19      A       
+ATOM   2262  CB  ILE A 166      47.649  43.036  14.137  1.00 37.18      A       
+ATOM   2263  HB  ILE A 166      47.245  42.561  13.258  1.00 38.19      A       
+ATOM   2264  CG1 ILE A 166      47.057  44.363  14.282  1.00 36.92      A       
+ATOM   2265 HG11 ILE A 166      46.292  44.499  13.531  1.00 38.19      A       
+ATOM   2266 HG12 ILE A 166      47.824  45.114  14.155  1.00 38.19      A       
+ATOM   2267  CG2 ILE A 166      47.201  42.226  15.362  1.00 29.31      A       
+ATOM   2268 HG21 ILE A 166      46.122  42.179  15.386  1.00 38.19      A       
+ATOM   2269 HG22 ILE A 166      47.559  42.705  16.260  1.00 38.19      A       
+ATOM   2270 HG23 ILE A 166      47.605  41.226  15.302  1.00 38.19      A       
+ATOM   2271  CD1 ILE A 166      46.429  44.564  15.618  1.00 56.24      A       
+ATOM   2272 HD11 ILE A 166      46.025  45.564  15.678  1.00 38.19      A       
+ATOM   2273 HD12 ILE A 166      47.174  44.429  16.389  1.00 38.19      A       
+ATOM   2274 HD13 ILE A 166      45.635  43.847  15.754  1.00 38.19      A       
+ATOM   2275  C   ILE A 166      49.454  44.209  12.961  1.00 38.48      A       
+ATOM   2276  O   ILE A 166      49.836  45.243  13.175  1.00 26.71      A       
+ATOM   2277  N   LYS A 167      49.308  43.598  11.728  1.00 41.01      A       
+ATOM   2278  HN  LYS A 167      49.108  42.640  11.692  1.00 38.19      A       
+ATOM   2279  CA  LYS A 167      49.437  44.321  10.512  1.00 42.52      A       
+ATOM   2280  HA  LYS A 167      49.639  45.355  10.753  1.00 38.19      A       
+ATOM   2281  CB  LYS A 167      50.558  43.775   9.615  1.00 46.50      A       
+ATOM   2282  HB1 LYS A 167      50.256  43.852   8.582  1.00 38.19      A       
+ATOM   2283  HB2 LYS A 167      50.736  42.738   9.862  1.00 38.19      A       
+ATOM   2284  CG  LYS A 167      51.859  44.557   9.802  1.00 47.40      A       
+ATOM   2285  HG1 LYS A 167      51.991  44.764  10.853  1.00 38.19      A       
+ATOM   2286  HG2 LYS A 167      51.785  45.488   9.260  1.00 38.19      A       
+ATOM   2287  CD  LYS A 167      53.089  43.781   9.287  1.00 32.22      A       
+ATOM   2288  HD1 LYS A 167      52.930  43.520   8.251  1.00 38.19      A       
+ATOM   2289  HD2 LYS A 167      53.205  42.882   9.873  1.00 38.19      A       
+ATOM   2290  CE  LYS A 167      54.360  44.609   9.401  1.00 38.19      A       
+ATOM   2291  HE1 LYS A 167      54.636  44.679  10.443  1.00 38.19      A       
+ATOM   2292  HE2 LYS A 167      54.167  45.598   9.013  1.00 38.19      A       
+ATOM   2293  NZ  LYS A 167      55.486  44.000   8.642  1.00 38.19      A       
+ATOM   2294  HZ1 LYS A 167      55.671  43.036   8.987  1.00 38.19      A       
+ATOM   2295  HZ2 LYS A 167      56.348  44.570   8.761  1.00 38.19      A       
+ATOM   2296  HZ3 LYS A 167      55.252  43.955   7.629  1.00 38.19      A       
+ATOM   2297  C   LYS A 167      48.140  44.229   9.860  1.00 34.88      A       
+ATOM   2298  O   LYS A 167      47.685  43.086   9.569  1.00 29.48      A       
+ATOM   2299  N   LYS A 168      47.443  45.269   9.550  1.00 37.76      A       
+ATOM   2300  HN  LYS A 168      47.761  46.157   9.819  1.00 38.19      A       
+ATOM   2301  HA  LYS A 168      46.199  44.211   8.304  1.00 38.19      A       
+ATOM   2302  CB  LYS A 168      45.066  45.119  10.211  1.00 25.55      A       
+ATOM   2303  HB1 LYS A 168      45.514  45.622  11.059  1.00 38.19      A       
+ATOM   2304  HB2 LYS A 168      44.852  44.095  10.472  1.00 38.19      A       
+ATOM   2305  CG  LYS A 168      43.752  45.824   9.850  1.00 68.94      A       
+ATOM   2306  HG1 LYS A 168      42.925  45.170  10.093  1.00 38.19      A       
+ATOM   2307  HG2 LYS A 168      43.748  46.032   8.792  1.00 38.19      A       
+ATOM   2308  CD  LYS A 168      43.593  47.091  10.579  1.00 41.46      A       
+ATOM   2309  HD1 LYS A 168      44.330  47.794  10.222  1.00 38.19      A       
+ATOM   2310  HD2 LYS A 168      43.750  46.907  11.633  1.00 38.19      A       
+ATOM   2311  CE  LYS A 168      42.174  47.709  10.380  1.00 75.00      A       
+ATOM   2312  HE1 LYS A 168      42.285  48.722  10.024  1.00 38.19      A       
+ATOM   2313  HE2 LYS A 168      41.664  47.718  11.331  1.00 38.19      A       
+ATOM   2314  NZ  LYS A 168      41.344  46.930   9.391  1.00 75.00      A       
+ATOM   2315  HZ1 LYS A 168      41.801  46.937   8.456  1.00 38.19      A       
+ATOM   2316  HZ2 LYS A 168      40.399  47.354   9.305  1.00 38.19      A       
+ATOM   2317  HZ3 LYS A 168      41.241  45.944   9.708  1.00 38.19      A       
+ATOM   2318  CA  LYS A 168      46.213  45.162   8.821  1.00 35.72      A       
+ATOM   2319  C   LYS A 168      46.195  46.539   7.572  1.00 68.04      A       
+ATOM   2320  O   LYS A 168      46.880  47.096   7.556  1.00 52.67      A       
+ATOM   2321  OXT LYS A 168      45.216  46.626   6.795  1.00 38.19      A       
+TER    2322      LYS A 168                                                      
+END                                                                             
diff --git a/examples/docking-protein-surface/docking-between-two-surfaces-smallspacing.cfg b/examples/docking-protein-surface/docking-between-two-surfaces-smallspacing.cfg
new file mode 100644
index 000000000..159458443
--- /dev/null
+++ b/examples/docking-protein-surface/docking-between-two-surfaces-smallspacing.cfg
@@ -0,0 +1,25 @@
+# =====================================================================#
+# Docking between two surfaces with small spacing                      #
+# =====================================================================#
+run_dir = "run-z-02-smallspacing"
+
+molecules = [
+  "data/protein.pdb",
+  "data/02_beads_smallspacing.pdb"
+]
+
+postprocess = false
+ncores = 20
+
+# =====================================================================#
+[topoaa]
+
+[rigidbody]
+sampling = 20
+
+ambig_fname = "data/02_z_smallspacing.tbl" # Define restraints to the z-surfaces
+randremoval = false
+mol_shape_2 = true # Define the beads as shape molecule
+mol_fix_origin_2 = true # Fix z-surfaces in their initial position
+
+# =====================================================================#
\ No newline at end of file
diff --git a/examples/docking-protein-surface/docking-between-two-surfaces.cfg b/examples/docking-protein-surface/docking-between-two-surfaces.cfg
new file mode 100644
index 000000000..04bdb6330
--- /dev/null
+++ b/examples/docking-protein-surface/docking-between-two-surfaces.cfg
@@ -0,0 +1,25 @@
+# =====================================================================#
+#  Example configuration file for docking a protein to two z-surfaces  #
+# =====================================================================#
+run_dir = "run-z-02"
+
+molecules = [
+  "data/protein.pdb",
+  "data/02_beads.pdb"
+]
+
+postprocess = false
+ncores = 20
+
+# =====================================================================#
+[topoaa]
+
+[rigidbody]
+sampling = 20
+
+ambig_fname = "data/02_z.tbl" # Define restraints to the z-surfaces
+randremoval = false
+mol_shape_2 = true # Define the beads as shape molecule
+mol_fix_origin_2 = true # Fix z-surfaces in their initial position
+
+# =====================================================================#
\ No newline at end of file
diff --git a/examples/docking-protein-surface/docking-one-surface.cfg b/examples/docking-protein-surface/docking-one-surface.cfg
new file mode 100644
index 000000000..e9253f5fe
--- /dev/null
+++ b/examples/docking-protein-surface/docking-one-surface.cfg
@@ -0,0 +1,25 @@
+# =====================================================================#
+#  Docking of a protein on a surface with a single z-surface selection #
+# =====================================================================#
+run_dir = "run-z-01"
+
+molecules = [
+  "data/protein.pdb",
+  "data/01_beads.pdb"
+]
+
+postprocess = false
+ncores = 20
+
+# =====================================================================#
+[topoaa]
+
+[rigidbody]
+sampling = 20
+
+ambig_fname = "data/01_z.tbl" # Define restraints to the z-surfaces
+randremoval = false
+mol_shape_2 = true # Define the beads as shape molecule
+mol_fix_origin_2 = true # Fix z-surfaces in their initial position
+
+# =====================================================================#
\ No newline at end of file
diff --git a/examples/docking-protein-surface/docking-three-surfaces.cfg b/examples/docking-protein-surface/docking-three-surfaces.cfg
new file mode 100644
index 000000000..a09915cf2
--- /dev/null
+++ b/examples/docking-protein-surface/docking-three-surfaces.cfg
@@ -0,0 +1,25 @@
+# =====================================================================#
+# Example configuration file for docking a protein to three z-surfaces #
+# =====================================================================#
+run_dir = "run-z-03"
+
+molecules = [
+  "data/protein.pdb",
+  "data/03_beads.pdb"
+  ]
+
+postprocess = false
+ncores = 20
+
+# =====================================================================#
+[topoaa]
+
+[rigidbody]
+sampling = 20
+
+ambig_fname = "data/03_z.tbl" # Define restraints to the z-surfaces
+randremoval = false
+mol_shape_2 = true # Define the beads as shape molecule
+mol_fix_origin_2 = true # Fix z-surfaces in their initial position
+
+# =====================================================================#
diff --git a/examples/docking-protein-surface/gen_beads.sh b/examples/docking-protein-surface/gen_beads.sh
new file mode 100755
index 000000000..9f1823d67
--- /dev/null
+++ b/examples/docking-protein-surface/gen_beads.sh
@@ -0,0 +1,48 @@
+#!/bin/bash
+#========================================================================================================================#
+# Helper script to generate z-restraints for the example docking-protein-surface.
+#
+#  The necessary files are already provided in the `data/` directory. The script is provided as an example of how to
+#   generate the z-restraints, in case you want to generate them for other proteins.
+#
+# Usage: ./gen_beads.sh
+#
+#========================================================================================================================#
+
+# Generates only one plan based on one selection of residues
+./../../utils/haddock-restraints z \
+  --residues 19,83,145,119,167 \
+  data/protein.pdb \
+  data/01_beads.pdb \
+  20 \
+  6 > data/01_z.tbl
+
+# Generates two plans based on the two residues selections
+./../../utils/haddock-restraints z \
+  --residues 19,83,145,119,167 \
+  --residues 98,101,126,129 \
+  data/protein.pdb \
+  data/02_beads.pdb \
+  20 \
+  6  > data/02_z.tbl
+
+# Generates two plans based on the two residues selections and reduce both area of the surface and space between beads
+./../../utils/haddock-restraints z \
+  --residues 19,83,145,119,167 \
+  --residues 98,101,126,129 \
+  data/protein.pdb \
+  data/02_beads_smallspacing.pdb \
+  4 \
+  6  > data/02_z_smallspacing.tbl
+
+# Generates three plans based on the three residues selections
+./../../utils/haddock-restraints z \
+  --residues 19,83,145,119,167 \
+  --residues 98,101,126,129 \
+  --residues 23,62,87,111,116,153,163 \
+  data/protein.pdb \
+  data/03_beads.pdb \
+  20 \
+  6  > data/03_z.tbl
+
+#========================================================================================================================#
\ No newline at end of file
diff --git a/examples/peptide-cyclisation/cyclise-peptide-3wne-full.cfg b/examples/peptide-cyclisation/cyclise-peptide-3wne-full.cfg
new file mode 100644
index 000000000..ea77bdadd
--- /dev/null
+++ b/examples/peptide-cyclisation/cyclise-peptide-3wne-full.cfg
@@ -0,0 +1,134 @@
+# ==================================================
+#      Peptide cyclisation protocol with HADDOCK3
+#
+#  This example workflow will take a peptide
+#  and generate cyclised conformations in a two step
+#  process, first using distance restraints to bring the 
+#  termini together, then rebuilding the topology to
+#  create the covalent cyclic bond and refining again.
+#  50 clusters are generated and the best model of 
+#  each is selected.
+#  
+#  Protocol described in: https://doi.org/10.1021/acs.jctc.2c00075
+# ==================================================
+
+run_dir = "run2-cyclise-3wne-full"
+
+# execution mode
+# for running locally uncomment the next two lines 
+# and comment the lines under the HPC execution
+mode = "local"
+ncores = 10
+debug = false
+concat = 1
+
+# ensemble of two initial peptide conformations
+molecules = ["data/3wne_peptide-ensemble.pdb"]
+
+# ==================================================
+
+[topoaa] 
+
+[flexref]
+unambig_fname = "data/3wne_unambig.tbl"
+tolerance = 5
+# generate 400 models 
+sampling_factor = 200
+# increase the number of steps by a factor 10 to allow 
+# for docking during the flexible refinement
+tadfactor = 4
+mdsteps_rigid = 2000 
+mdsteps_cool1 = 2000
+mdsteps_cool2 = 4000
+mdsteps_cool3 = 4000
+# give full flexibilit to the peptide
+nfle = 1
+fle_sta_1 = 1
+fle_end_1 = 99
+fle_seg_1 = "B"
+# turn off electrostatic
+elecflag = false
+
+[mdref]
+unambig_fname = "data/3wne_unambig.tbl"
+# give full flexibilit to the peptide
+nfle = 1
+fle_sta_1 = 1
+fle_end_1 = 99
+fle_seg_1 = "B"
+
+[caprieval]
+reference_fname = "data/3wne_peptide-bound.pdb" 
+
+[rmsdmatrix]
+
+[clustrmsd]
+criterion = "maxclust"  # Use maximum number of cluster to create clusters
+n_clusters = 50  # Number of desired clusters
+min_population = 1  # Even singlotons will be `clustered`
+plot_matrix = true  # Plot the corresponding matrix
+
+[seletopclusts]
+top_cluster = 50
+top_models = 1
+
+[caprieval]
+reference_fname = "data/3wne_peptide-bound.pdb" 
+
+[topoaa]
+cyclicpept_dist = 3.5
+disulphide_dist = 4.0
+[topoaa.mol1]
+cyclicpept = true
+
+[emscoring]
+# required to make the next module accept the new PDB files
+# after calling a second time topoaa
+
+[flexref]
+unambig_fname = "data/3wne_unambig.tbl"
+tolerance = 5
+# generate 500 models 
+sampling_factor = 10
+# increase the number of steps by a factor 10 to allow 
+# for docking during the flexible refinement
+tadfactor = 4
+mdsteps_rigid = 2000 
+mdsteps_cool1 = 2000
+mdsteps_cool2 = 4000
+mdsteps_cool3 = 4000
+# give full flexibilit to the peptide
+nfle = 1
+fle_sta_1 = 1
+fle_end_1 = 99
+fle_seg_1 = "B"
+# turn off electrostatic
+elecflag = false
+
+[mdref]
+watersteps = 5000
+# give full flexibilit to the peptide
+nfle = 1
+fle_sta_1 = 1
+fle_end_1 = 99
+fle_seg_1 = "B"
+
+[caprieval]
+reference_fname = "data/3wne_peptide-bound.pdb" 
+
+[rmsdmatrix]
+
+[clustrmsd]
+criterion = "maxclust"  # Use maximum number of cluster to create clusters
+n_clusters = 50  # Number of desired clusters
+min_population = 1  # Even singlotons will be `clustered`
+plot_matrix = true  # Plot the corresponding matrix
+
+[seletopclusts]
+top_cluster = 50
+top_models = 1
+
+[caprieval]
+reference_fname = "data/3wne_peptide-bound.pdb" 
+
+# ==================================================
diff --git a/examples/peptide-cyclisation/cyclise-peptide-full.cfg b/examples/peptide-cyclisation/cyclise-peptide-full.cfg
index 13d4bd240..872e2914c 100644
--- a/examples/peptide-cyclisation/cyclise-peptide-full.cfg
+++ b/examples/peptide-cyclisation/cyclise-peptide-full.cfg
@@ -22,7 +22,7 @@ ncores = 10
 debug = false
 concat = 1
 
-# molecules to be docked
+# ensemble of two initial peptide conformations
 molecules = [
     "data/1sfi_peptide-ensemble.pdb",
     ] 
diff --git a/src/haddock/clis/cli_restraints.py b/src/haddock/clis/cli_restraints.py
index 181ab244f..8c9bdf5d0 100644
--- a/src/haddock/clis/cli_restraints.py
+++ b/src/haddock/clis/cli_restraints.py
@@ -17,14 +17,35 @@
 
     haddock3-restraints <TASK_NAME> -h
 """
+
 import argparse
 import sys
 
-from haddock.clis.restraints.restrain_bodies import add_restrain_bodies_arguments, restrain_bodies
-from haddock.clis.restraints.passive_from_active import add_pass_from_act_arguments, passive_from_active
-from haddock.clis.restraints.validate_tbl import add_validate_tbl_arguments, validate_tbl
-from haddock.clis.restraints.active_passive_to_ambig import add_actpass_to_ambig_arguments, actpass_to_ambig
-from haddock.clis.restraints.calc_accessibility import add_calc_accessibility_arguments, calc_accessibility
+from haddock import log
+from haddock.clis.restraints.active_passive_to_ambig import (
+    actpass_to_ambig,
+    add_actpass_to_ambig_arguments,
+    )
+from haddock.clis.restraints.calc_accessibility import (
+    add_calc_accessibility_arguments,
+    calc_accessibility,
+    )
+from haddock.clis.restraints.passive_from_active import (
+    add_pass_from_act_arguments,
+    passive_from_active,
+    )
+from haddock.clis.restraints.restrain_bodies import (
+    add_restrain_bodies_arguments,
+    restrain_bodies,
+    )
+from haddock.clis.restraints.validate_tbl import (
+    add_validate_tbl_arguments,
+    validate_tbl,
+    )
+from haddock.clis.restraints.z_surface_restraints import (
+    add_z_surf_restraints_arguments,
+    gen_z_surface_restraints,
+    )
 
 
 # Command line interface parser
@@ -32,36 +53,48 @@
     prog="haddock3-restraints",
     description=__doc__,
     formatter_class=argparse.RawDescriptionHelpFormatter,
-    )
+)
 
-subparsers = ap.add_subparsers(title='subcommands',
-                               description='valid subcommands',
-                               help='additional help')
+subparsers = ap.add_subparsers(
+    title="subcommands", description="valid subcommands", help="additional help"
+)
 
 # restrain_bodies subcommand
-restrain_bodies_subcommand = subparsers.add_parser('restrain_bodies')
+restrain_bodies_subcommand = subparsers.add_parser("restrain_bodies")
 restrain_bodies_subcommand.set_defaults(func=restrain_bodies)
 restrain_bodies_subcommand = add_restrain_bodies_arguments(restrain_bodies_subcommand)
 
 # passive_from_active subcommand
-pass_from_act_subcommand = subparsers.add_parser('passive_from_active')
+pass_from_act_subcommand = subparsers.add_parser("passive_from_active")
 pass_from_act_subcommand.set_defaults(func=passive_from_active)
 pass_from_act_subcommand = add_pass_from_act_arguments(pass_from_act_subcommand)
 
 # validate_tbl subcommand
-validate_tbl_subcommand = subparsers.add_parser('validate_tbl')
+validate_tbl_subcommand = subparsers.add_parser("validate_tbl")
 validate_tbl_subcommand.set_defaults(func=validate_tbl)
 validate_tbl_subcommand = add_validate_tbl_arguments(validate_tbl_subcommand)
 
 # active_passive_to_ambig subcommand
-actpass_to_ambig_subcommand = subparsers.add_parser('active_passive_to_ambig')
+actpass_to_ambig_subcommand = subparsers.add_parser("active_passive_to_ambig")
 actpass_to_ambig_subcommand.set_defaults(func=actpass_to_ambig)
-actpass_to_ambig_subcommand = add_actpass_to_ambig_arguments(actpass_to_ambig_subcommand)
+actpass_to_ambig_subcommand = add_actpass_to_ambig_arguments(
+    actpass_to_ambig_subcommand
+)
 
 # calc_accessibility subcommand
-calc_accessibility_subcommand = subparsers.add_parser('calc_accessibility')
+calc_accessibility_subcommand = subparsers.add_parser("calc_accessibility")
 calc_accessibility_subcommand.set_defaults(func=calc_accessibility)
-calc_accessibility_subcommand = add_calc_accessibility_arguments(calc_accessibility_subcommand)
+calc_accessibility_subcommand = add_calc_accessibility_arguments(
+    calc_accessibility_subcommand
+)
+
+# z_surface_restraints subcommand
+z_surface_restraints_subcommand = subparsers.add_parser("z_surface_restraints")
+z_surface_restraints_subcommand.set_defaults(func=gen_z_surface_restraints)
+z_surface_restraints_subcommand = add_z_surf_restraints_arguments(
+    z_surface_restraints_subcommand
+)
+
 
 def _ap():
     return ap
@@ -74,6 +107,9 @@ def load_args(ap):
 
 def maincli():
     """Execute main client."""
+    log.info(
+        "[DEPRECATION NOTICE] This command will soon be replaced with `haddock-restraints`"
+    )
     args = ap.parse_args()
     cmd = vars(load_args(ap))
     cmd.pop("func")
@@ -81,4 +117,4 @@ def maincli():
 
 
 if __name__ == "__main__":
-    sys.exit(maincli())
\ No newline at end of file
+    sys.exit(maincli())
diff --git a/src/haddock/clis/restraints/z_surface_restraints.py b/src/haddock/clis/restraints/z_surface_restraints.py
new file mode 100644
index 000000000..e3e24afe8
--- /dev/null
+++ b/src/haddock/clis/restraints/z_surface_restraints.py
@@ -0,0 +1,745 @@
+"""haddock3-restraints z-surface-restraints subcommand.
+
+Generate both z-restraints and corresponding z-surfaces based on
+input pdb structure and residue selection.
+
+Usage:
+    haddock3-restraints z-surface-restraints
+        --pdb       <path/to/the/structure.pdb>
+        --residues  <list of coma separated residue index>
+        --output    <base/path/where/to/output/data>
+        --spacing   <spacing_between_two_beads>
+        --x-size    <size_in_x_dim>
+        --y-size    <size_in_y_dim>
+        --z-padding <additional_z_padding_between_two_extrema_plans>
+
+e.g:
+haddock3-restraints z-surface-restraints
+  --pdb mystructure.pdb
+  --residues 1,2,3 7,8,9
+  --spacing 20
+  --x-size 200
+  --y-size 200
+  --z-padding 5
+  --output myZrestaints
+"""
+
+import logging
+import os
+from pathlib import Path
+
+from haddock.core.typing import Generator, Optional, Union
+from haddock.libs.librestraints import read_structure, calc_euclidean
+
+
+# As this script is a subcommand of the `haddock3-restraints` cli,
+# it requires its own options and arguments that are managed here.
+def add_z_surf_restraints_arguments(z_surf_restraints_subcommand):
+    """Add arguments to the z_plan subcommand."""
+    z_surf_restraints_subcommand.add_argument(
+        "--pdb", "-p",
+        help="Path to a pdb file.",
+        required=True,
+        default='',
+        type=str,
+        )
+
+    z_surf_restraints_subcommand.add_argument(
+        "--residues", "-r",
+        help=(
+            "List of comma separated residues (can be multiple selections). "
+            "Example 1,2,3 7,8,9 for two selections."
+            ),
+        required=False,
+        default=[],
+        nargs='+',
+        type=str,
+        )
+    
+    z_surf_restraints_subcommand.add_argument(
+        "--output", "-o",
+        help=(
+            "Base output path. This script will generate two files, "
+            "therefore no extention needed here"
+            ),
+        required=False,
+        default=None,
+        type=str,
+        )
+
+    z_surf_restraints_subcommand.add_argument(
+        "--spacing", "-s",
+        type=float,
+        help="Spacing between two beads (A)",
+        required=False,
+        default=20,
+        )
+
+    z_surf_restraints_subcommand.add_argument(
+        "--x-size",
+        "-x",
+        help="Size of the plan in X dimension (A)",
+        required=False,
+        default=100,
+        type=float,
+        )
+    
+    z_surf_restraints_subcommand.add_argument(
+        "--y-size",
+        "-y",
+        help="Size of the plan in Y dimension",
+        required=False,
+        default=100,
+        type=float,
+        )
+    
+    z_surf_restraints_subcommand.add_argument(
+        "--z-padding",
+        "-z",
+        help="Additional padding between two external plans.",
+        required=False,
+        default=5.0,
+        type=float,
+        )
+    
+    z_surf_restraints_subcommand.add_argument(
+        "--log_level",
+        default='INFO',
+        choices=('DEBUG', 'INFO', 'WARNING', 'ERROR', 'CRITICAL'),
+        help="Logging level",
+        required=False,
+        )
+
+    return z_surf_restraints_subcommand
+
+
+def setup_logging(log_level: str = "INFO") -> None:
+    """Set log level and format."""
+    logging.basicConfig(
+        level=log_level,
+        format='%(asctime)s L%(lineno)d %(levelname)s - %(message)s',
+        datefmt='%d/%m/%Y %H:%M:%S',
+        )
+
+
+############################
+# SET OF USEFULL FUNCTIONS #
+############################
+def load_selected_resiudes_coords(
+        pdb_fpath: Union[str, Path],
+        selections: dict[str, list[int]],
+        ) -> tuple[dict[str, list[tuple[float, float, float]]], list[str], list[str]]:
+    """Load coordinates of selected residues.
+
+    Parameters
+    ----------
+    pdb_fpath : Union[str, Path]
+        Path to the PDB file to be parsed.
+    selections : dict[str, list[int]]
+        Dictionary holding the various residues indices for each selection.
+
+    Returns
+    -------
+    selection_coords: dict[str, list[tuple[float, float, float]]]
+        Dictionary holding the various Calpha coordinates for each selection.
+    """
+    # Load structures atom coordinates
+    pdb_atoms = read_structure(pdb_fpath)
+    # Set paring variables
+    selection_coords: dict[str, list[tuple[float, float, float]]] = {}
+    selected_chains: list[str] = []
+    selected_atoms: list[str] = []
+    # Loop over atoms
+    for chain, resi, atname, coords in pdb_atoms:
+        # Simplify the probleme to Calpha/Phosphates/BackBone atoms only
+        # FIXME: maybe change P to C1 or C9 ?
+        if not atname in ("CA", "P", "BB", ):
+            continue
+        # Loop over selections
+        for selection, sele_resis in selections.items():
+            # Check if residue of interest
+            if resi in sele_resis:
+                # Make sure the key is created
+                selection_coords.setdefault(selection, [])
+                # Hold this coordinates
+                selection_coords[selection].append(coords)
+                # Also add chain and atom type
+                selected_chains.append(chain)
+                selected_atoms.append(atname)
+    set_selected_chains = list(set(selected_chains))
+    set_selected_atoms = list(set(selected_atoms))
+    return selection_coords, set_selected_chains, set_selected_atoms
+
+
+def compute_barycenter(
+        resi_coords: list[tuple[float, float, float]],
+        ) -> tuple[float, float, float]:
+    """Compute center of mass of multiple resiudes coordinates.
+
+    Parameters
+    ----------
+    resi_coords : list[tuple[float, float, float]]
+        List of Calpha coordinates.
+
+    Returns
+    -------
+    barycenter : tuple[float, float, float]
+        Corrdinates of the center of mass.
+    """
+    # Combine coordinates
+    xs, ys, zs = [], [], []
+    for coords in resi_coords:
+        xs.append(coords[0])
+        ys.append(coords[1])
+        zs.append(coords[2])
+    # Compute average
+    x_avg = sum(xs) / len(xs)
+    y_avg = sum(ys) / len(ys)
+    z_avg = sum(zs) / len(zs)
+    # Return barycenter
+    barycenter = (x_avg, y_avg, z_avg)
+    return barycenter
+
+
+def load_selections(residues_lists: list[str]) -> dict[str, list[int]]:
+    """Split and cast residues from an initial string to list.
+
+    Parameters
+    ----------
+    residues_lists : list[str]
+        List of strings containing coma separated resiudes indices.
+
+    Returns
+    -------
+    selections: dict[str, list[int]]
+        Dictionary of resiudes indices.
+    """
+    selections: dict[str, list[int]] = {}
+    for listid, str_resiudes in enumerate(residues_lists, start=1):
+        resid_indices: list[int] = []
+        selection_key = f"selection_{listid}"
+        for strresid in str_resiudes.split(','):
+            try:
+                resid = int(strresid)
+            except Exception as _e:
+                msg = f"Could not cast residue {strresid} from {selection_key}"
+                logging.warning(msg)
+            else:
+                resid_indices.append(resid)
+        if resid_indices == []:
+            err_msg = f"Not considering {selection_key} as it is empty !"
+            logging.error(err_msg)
+        else:
+            selections[selection_key] = resid_indices
+    return selections
+
+
+def get_z_coords(
+        select_coords: dict[str, list[tuple[float, float, float]]],
+        padding: float = 5.0,
+        ) -> dict[str, float]:
+    """Generate z-coordinates from selection of residues.
+
+    Here the idea is to find the most distant points between selections,
+    and project it on a Z axis to be able to later orient the protein.
+
+    Parameters
+    ----------
+    selection_coords: dict[str, list[tuple[float, float, float]]]
+        Dictionary holding the various Calpha coordinates for each selection.
+    padding : float, optional
+        Extra padding (in Angstrom) of z-coordinate, by default 10
+
+    Returns
+    -------
+    selection_z : dict[str, float]
+        Z coodrinate for each selection.
+    """
+    # Default when less than 1 selection was made
+    if select_coords == {}:
+        return {"z_1": 0}
+    elif len(select_coords.keys()) == 1:
+        return {s: 0 for s in select_coords.keys()}
+
+    # Compute geometrical center
+    select_centers = {
+        select: compute_barycenter(select_resids_coords)
+        for select, select_resids_coords in select_coords.items()
+        }
+    # Compute distances
+    dists: dict[str, dict[str, float]] = {s: {} for s in select_centers.keys()}
+    max_dist: float = -1
+    max_dist_keys: list[str] = []
+    for select, center in select_centers.items():
+        for select2, center2 in select_centers.items():
+            if select == select2:
+                continue
+            # Compute dist
+            dist = calc_euclidean(center, center2)
+            # Hold data
+            dists[select][select2] = dist
+            dists[select2][select] = dist
+            # Define max
+            if max_dist < dist:
+                max_dist = dist
+                max_dist_keys = [select, select2]
+    # Initiate z-coords boundaries
+    max_z = (padding + max_dist) / 2
+    # Compute Z coords for external surfaces
+    selection_z = {
+        max_dist_keys[0]: max_z,
+        max_dist_keys[1]: -max_z,
+        }
+    # Compute Z coords for internal surfaces (when nb. selections >= 3)
+    for select, dist in dists.items():
+        # If the selection is part of the external surfaces
+        if select in max_dist_keys:
+            continue
+        # Compute location of z coordinate
+        dist_to_upper = max_z - dist[max_dist_keys[0]]
+        dist_to_lower = dist[max_dist_keys[1]] - max_z
+        select_z_coord = (dist_to_upper + dist_to_lower) / 2
+        # Hold data
+        selection_z[select] = select_z_coord
+    
+    return selection_z
+
+
+def gen_z_restraints(
+        res_select: dict[str, list[int]],
+        selection_z: dict[str, float],
+        rest_dist: float = 7.5,
+        segids: list[str] = ["A"],
+        atome_types: list[str] = ["CA"],
+        ) -> str:
+    """Generate set of z ambiguous restraints according to residue selections.
+
+    Parameters
+    ----------
+    res_select : dict[str, list[int]]
+        Dictionary holding the various residues indices for each selection.
+    selection_z : dict[str, float]
+        Z coodrinate for each selection.
+    rest_dist : float, optional
+        Upper boundary (in Angstrom) of satisfied restraints, by default 7.5
+
+    Returns
+    -------
+    all_restraints : str
+        A string containing the AIR restraints.
+    """
+    # Gather all coordinates
+    all_z_coords = [zcoord for zcoord in selection_z.values()]
+    # Point min and max values
+    minz = min(all_z_coords)
+    maxz = max(all_z_coords)
+    # Initiate restraints holder
+    restraints: list[str] = []
+    # z_padding variable is used as a padding for the Z beads selection.
+    # This is meant for the CNS selection method using lt(lower than)
+    # and gt (geater than) rather than equal to.
+    z_padding: float = 0.1
+    # Compile chain selection
+    chain_selection_string = _compile_multiple_cns_selections(
+        "segid", segids,
+        )
+    # Compile atome selection
+    atom_selection_string = _compile_multiple_cns_selections(
+        "name", atome_types,
+        )
+    # Loop over selections
+    for select in res_select.keys():
+        # Point data
+        residues = res_select[select]
+        z_coord = selection_z[select]
+        # Add comment
+        list_residues = ",".join([str(r) for r in residues])
+        restraints.append(f"! z restraints for {select}: {list_residues}")
+        # Loop over residues selection
+        for resid in residues:
+            # Compute lower/greater than z-coord
+            lt_coord = z_coord + z_padding
+            gt_coord = z_coord - z_padding
+            # If the lower Z coordinate plan
+            if z_coord == minz:
+                rest = (
+                    f"assign (resid {resid:>7d} and "
+                    f"{atom_selection_string} and {chain_selection_string}) "
+                    f"(name SHA and attr z lt {lt_coord:>-8.2f}) "
+                    f"{rest_dist:.1f} {rest_dist:.1f} 0.0"
+                    )
+            # If the upper Z coordinate plan
+            elif z_coord == maxz:
+                rest = (
+                    f"assign (resid {resid:>7d} and "
+                    f"{atom_selection_string} and {chain_selection_string}) "
+                    f"(name SHA and attr z gt {gt_coord:>-8.2f}) "
+                    f"{rest_dist:.1f} {rest_dist:.1f} 0.0"
+                    )
+            # If in between lower and upper plans (when nb. plans >= 3)
+            else:
+                rest = (
+                    f"assign (resid {resid:>7d} and "
+                    f"{atom_selection_string} and {chain_selection_string}) "
+                    f"(name SHA and attr z lt {lt_coord:>-8.2f} "
+                    f"and attr z gt {gt_coord:>-8.2f}) "
+                    f"{rest_dist:.1f} {rest_dist:.1f} 0.0"
+                    )
+            restraints.append(rest)
+    all_restraints = os.linesep.join(restraints)
+    return all_restraints
+
+
+def _compile_multiple_cns_selections(
+        selection_key: str,
+        selections: list[str],
+        logical_operator: str = 'OR',
+        ) -> str:
+    """Generate a selection from multiple ones using logical operator.
+
+    Parameters
+    ----------
+    selection_key : str
+        Name of the selection key. (e.g.: segid, name, resid, ...)
+    selections : list[str]
+        List of selections.
+
+    Returns
+    -------
+    combined_selection : str
+        The combined selection.
+    """
+    assert len(selections) >= 1
+    if len(selections) == 1:
+        return f"{selection_key} {selections[0]}"
+    compiled_selections = [
+        f"{selection_key} {select}"
+        for select in selections
+        ]
+    joined_selections = f" {logical_operator} ".join(compiled_selections)
+    combined_selection = f"({joined_selections})"
+    return combined_selection
+
+
+def output_data(
+        restraints: str,
+        plans: str,
+        output: Optional[Union[str, Path]] = None,
+        ) -> tuple[str, str]:
+    """Write output files.
+
+    Parameters
+    ----------
+    restraints : str
+        String containing the ambiguous restraints.
+    plans : str
+        String containing shape beads coordinates as PDB file.
+    output : Optional[Union[str, Path]], optional
+        Base output path, by default None
+
+    Returns
+    -------
+    restraints_fpath: str
+        Path to the generated AIRs.
+    beadplans_fpath : str
+        Path to the generated PDB file containing beads.
+    """
+    # Define base output path if not given
+    if not output:
+        output = 'Zrestraints'
+    # Write restraints
+    restraints_fpath = f"{output}.tbl"
+    with open(restraints_fpath, 'w') as filout:
+        filout.write(restraints)
+    # Write restraints
+    beadplans_fpath = f"{output}_beads.pdb"
+    with open(beadplans_fpath, 'w') as filout:
+        filout.write(plans)
+    # Return filepaths
+    return restraints_fpath, beadplans_fpath
+
+
+def gen_bead_plans(
+        spacing: float = 40,
+        x_size: float = 200,
+        y_size: float = 200,
+        z_coords: Optional[list[float]] = None,
+        ) -> str:
+    """Generate multiple bead plans.
+
+    Parameters
+    ----------
+    spacing : float, optional
+        Spacing (in Angstrom) between beads in same dimension, by default 40
+    x_size : float, optional
+        Width (in Angstrom) of the plan, by default 200
+    y_size : float, optional
+        Height (in Angstrom) of the plan, by default 200
+    z_coords : Optional[list[float]], optional
+        List of z-coordinates where to generate plans, by default None
+
+    Returns
+    -------
+    bead_plans : str
+        A PDB file containing multiple plans.
+    """
+    # Presets
+    bead_plans: str = ''
+    resindex: int = 0
+    if not z_coords:
+        z_coords = [0]
+    # Loop over z-coords
+    for z in z_coords:
+        plan, resindex = bead_plan(
+            spacing=spacing,
+            x_size=x_size,
+            y_size=y_size,
+            z_coord=z,
+            resindex=resindex,
+            )
+        bead_plans += plan
+    return bead_plans
+    
+    
+def bead_plan(
+        spacing: float = 40,
+        x_size: float = 200,
+        y_size: float = 200,
+        z_coord: float = 0,
+        resindex: int = 0,
+        ) -> tuple[str, int]:
+    """Generate a PDB plan made of beads.
+
+    Parameters
+    ----------
+    spacing : float, optional
+        Spacing (in Angstrom) between beads in same dimension, by default 40
+    x_size : float, optional
+        Width (in Angstrom) of the plan, by default 200
+    y_size : float, optional
+        Height (in Angstrom) of the plan, by default 200
+    z_coord : float, optional
+        Z-coordinate where to generate the plan, by default 0
+    resindex : int, optional
+        From which resiude to start the , by default 0
+
+    Returns
+    -------
+    plan : str
+        The PDB plan made of beads.
+    resindex : int
+        Index of the last residue index added.
+    """
+    plan_beads: list[str] = []
+    # Loop over x coords
+    for x_coord in step_coords(x_size, spacing):
+        # Loop over y coords
+        for y_coord in step_coords(y_size, spacing):
+            resindex += 1
+            # Generate new bead
+            bead = shape_bead(x_coord, y_coord, z_coord, resindex)
+            plan_beads.append(bead)
+    # Finalize plan
+    plan = ''.join(plan_beads)
+    return plan, resindex
+
+
+def step_coords(_size: float, _spacing: float) -> Generator[float, None, None]:
+    """Generate set of evenly spaced coordinates between of defined size.
+
+    Parameters
+    ----------
+    size : float
+        Size (in Angstrom) to be sampled
+    spacing : float
+        Spacing between each coordinate
+
+    Return
+    ------
+    Generator[float, None, None]
+        1D coodinate of current position.
+    """
+    # Convert to absolute value
+    size = abs(_size)
+    spacing = abs(_spacing)
+    # Check if size is indeed greater than spacing
+    if spacing > size:
+        logging.error("Size must be greater than spacing!")
+        raise ValueError
+    return _step_coords(size, spacing)
+
+
+def _step_coords(size: float, spacing: float) -> Generator[float, None, None]:
+    """Generate set of evenly spaced coordinates between of defined size.
+
+    Parameters
+    ----------
+    size : float
+        Size (in Angstrom) to be sampled
+    spacing : float
+        Spacing between each coordinate
+
+    Yields
+    ------
+    float
+        1D coodinate of current position.
+    """
+    # Define initial position
+    coord = - (size / 2)
+    # Define oversized position
+    oversized = (size + spacing) / 2
+    # Loop until oversized
+    while coord <= oversized:
+        yield coord
+        coord += spacing
+
+
+def shape_bead(
+        x: float,
+        y: float,
+        z: float,
+        resindex: int,
+        chain: str = "S",
+        atindex: int = 1,
+        bfactor: float = 1.00,
+        ) -> str:
+    """Generate a PDB shape bead.
+
+    Parameters
+    ----------
+    x : float
+        x coordinate of the bead
+    y : float
+        y coordinate of the bead
+    z : float
+        z coordinate of the bead
+    resindex : int
+        Residue index
+    chain : str, optional
+        Chain id, by default "S"
+    atindex : int, optional
+        Atome index, by default 1
+    bfactor : float, optional
+        B-factor of the bead, by default 1.00
+
+    Returns
+    -------
+    bead : str
+        A valid PDB shape bead.
+    """
+    bead = f"ATOM  {atindex:>5d}  SHA SHA {chain}{resindex:>4d}    {x:-8.3f}{y:-8.3f}{z:-8.3f}  1.00{bfactor:6.2f}         SHA  {os.linesep}"  # noqa : E501
+    return bead
+
+
+def _get_ideal_restraint_dist(spacing: float) -> float:
+    """Computes ideal restraint distance based on spacing.
+
+    Basically, want to return (spacing / 2) - 2
+
+    Parameters
+    ----------
+    spacing : int
+        Spacing between beads.
+
+    Returns
+    -------
+    float
+        Effective distance restraint.
+    """
+    # Compute de distance
+    effective_distance_restraint: float = (spacing / 2) - 2
+    # Make sure it is not out of allowed boundaries
+    bounded_distance_restraint = max(effective_distance_restraint, 2.0)
+    return bounded_distance_restraint
+
+
+def main(
+        pdb: Union[str, Path],
+        residues: Optional[list[str]] = None,
+        output: Optional[str] = None,
+        spacing: float = 40,
+        x_size: float = 200,
+        y_size: float = 200,
+        z_padding: float = 5.0,
+        log_level: str = "INFO",
+        ) -> tuple[str, str]:
+    """Generate both z-restraints and z-surface beads from residue selection.
+
+    Parameters
+    ----------
+    pdb : Union[str, Path]
+        Path to the PDB file to be parsed.
+    residues : list[str]
+        List of strings containing coma separated resids, by default None
+    spacing : float, optional
+        Spacing (in Angstrom) between beads in same dimension, by default 40
+    x_size : float, optional
+        Width (in Angstrom) of the plan, by default 200
+    y_size : float, optional
+        Height (in Angstrom) of the plan, by default 200
+
+    Returns
+    -------
+    tuple[Union[str, Path], Union[str, Path]]
+        Paths to the Z_restraints.tbl and Z_surface.pdb
+    """
+    # Load residue selection
+    res_select = load_selections(residues)
+    # Load corresponding coordinates
+    select_coords, chainids, atomtypes = load_selected_resiudes_coords(
+        pdb, res_select
+        )
+    # Compute z-coordinates for each selection
+    selection_z = get_z_coords(select_coords, padding=z_padding)
+    # Generate corresponding z-surfaces
+    plans = gen_bead_plans(
+        spacing=spacing,
+        x_size=x_size,
+        y_size=y_size,
+        z_coords=[zcoord for zcoord in selection_z.values()],
+        )
+    # Compute ideal restraint distance based on spacing
+    restraint_distance = _get_ideal_restraint_dist(spacing)
+    # Generate corresponding z-surface restraints
+    restraints = gen_z_restraints(
+        res_select,
+        selection_z,
+        rest_dist=restraint_distance,
+        segids=chainids,
+        atome_types=atomtypes,
+        )
+    # Output data
+    restraints_tbl, plans_pdb = output_data(restraints, plans, output=output)
+    return restraints_tbl, plans_pdb
+
+
+gen_z_surface_restraints = main
+
+
+############################
+# COMMAND LINE ENTRY POINT #
+############################
+if __name__ == "__main__":
+    import argparse
+    # Command line interface parser
+    ap = argparse.ArgumentParser(
+        prog="haddock3-restraints",
+        description=__doc__,
+        formatter_class=argparse.RawDescriptionHelpFormatter,
+        )
+    add_z_surf_restraints_arguments(ap)
+    args = vars(ap.parse_args())
+    setup_logging(log_level=args['log_level'])
+    # Launch main
+    restraints_fpath, plan_s_fpath = gen_z_surface_restraints(
+        args['residues'],
+        residues=args['residues'],
+        output=args['output'],
+        spacing=args['spacing'],
+        x_size=args['x_size'],
+        y_size=args['y_size'],
+        z_padding=args['z_padding'],
+        log_level=args["log_level"],
+        )
+    logging.info(restraints_fpath)
+    logging.info(plan_s_fpath)
diff --git a/src/haddock/modules/topology/topocg/cns/charge-beads-interactions.cns b/src/haddock/modules/topology/topocg/cns/charge-beads-interactions.cns
index 950ada10c..3b6398aac 100644
--- a/src/haddock/modules/topology/topocg/cns/charge-beads-interactions.cns
+++ b/src/haddock/modules/topology/topocg/cns/charge-beads-interactions.cns
@@ -8,38 +8,20 @@
 ! * as part of this package.                                            *
 ! ***********************************************************************
 !
-igroup interaction (all) (all) end
+igroup 
 
-for $id1 in id ( (resn SER or resn THR or resn ASN or resn GLN) and name BB ) loop c1beads
+    interaction (all) (all) weight * 1.0 end end
 
-    show (segid) (id $id1)
-    evaluate ($cgsegid=$result)
-    show (resid) (id $id1)
-    evaluate ($cgresid=$result)
-
-    igroup
-        ! turn off all vdw interactions between charged beads and all beads
-        interaction (segid $cgsegid and resid $cgresid and name SCD1) (all) weight vdw 0.0 end
-        interaction (segid $cgsegid and resid $cgresid and name SCD2) (all) weight vdw 0.0 end
+    for $id1 in id ( (resn SER or resn THR or resn ASN or resn GLN) and name BB ) loop c1beads
 
+        show (segid) (id $id1)
+        evaluate ($cgsegid=$result)
+        show (resid) (id $id1)
+        evaluate ($cgresid=$result)
         ! turn off all vdw and elec interactions between the charged beads within one residue
         interaction (segid $cgsegid and resid $cgresid and name SCD1)
                     (segid $cgsegid and resid $cgresid and name SCD2) weight * 1.0 vdw 0.0 elec 0.0 end
-    end
-
-end loop c1beads
-
-for $id1 in id ( (resn LYS or resn ARG or resn ASP or resn GLU) and name BB ) loop c2beads
-
-    show (segid) (id $id1)
-    evaluate ($cgsegid=$result)
-    show (resid) (id $id1)
-    evaluate ($cgresid=$result)
-
-    igroup
-        ! turn off all vdw interactions between charged beads and all beads
-        interaction (segid $cgsegid and resid $cgresid and name SCD1) (all) weight vdw 0.0 end
-    end
 
-end loop c2beads
+    end loop c1beads
 
+end
\ No newline at end of file
diff --git a/src/haddock/modules/topology/topocg/cns/generate-topology.cns b/src/haddock/modules/topology/topocg/cns/generate-topology.cns
index 5393414a7..2eaa77c0e 100644
--- a/src/haddock/modules/topology/topocg/cns/generate-topology.cns
+++ b/src/haddock/modules/topology/topocg/cns/generate-topology.cns
@@ -32,21 +32,6 @@ define(
 {* separate chains by segid - a new segid starts a new chain *}
 {+ choice: true false +}
 {===>} separate=true;
-{============================ renaming atoms ===============================}
-
-{* some atoms may need to be renamed in the topology database to conform
-   to what is present in the coordinate file *}
-
-{* delta carbon in isoleucine is named CD in CNS
-   what is it currently called in the coordinate file? *}
-{* this will not be changed if left blank *}
-{===>} ile_CD_becomes="CD1";
-
-{* terminal oxygens are named OT1 and OT2 in CNS
-   what are they currently called in the coordinate file? *}
-{* these will not be changed if left blank *}
-{===>} OT1_becomes="O";
-{===>} OT2_becomes="OXT";
 
 {======================= automatic mainchain breaks ========================}
 
@@ -70,12 +55,6 @@ define(
    structure has bad geometry it may be necessary to increase this distance *}
 {===>} disulphide_dist=3.0;
 
-{======================= automatic cyclic peptidic bond ====================}
-
-{* cutoff distance in Angstroms for identification of cyclic peptide*}
-{* the default of 2.0A should be reasonable for most cases. If the input
-   structure has bad geometry it may be necessary to increase this distance *}
-{===>} cyclicpept_dist=2.0;
 
 {======================= automatic cis peptide bonds =======================}
 
@@ -83,22 +62,6 @@ define(
 {* to define cis peptides*}
 {===>} atom_select=(known and not hydrogen);
 
-{========================= generate parameters =============================}
-
-{* selection of atoms to be deleted *}
-{* to delete no atoms use: (none) *}
-{===>} atom_delete=(none);
-
-{* set bfactor value *}
-{===>} bfactor=15.0;
-
-{* set occupancy flag *}
-{+ choice: true false +}
-{===>} set_occupancy=false;
-
-{* set occupancy value *}
-{===>} occupancy=1.0;
-
 {================== protein topology and parameter files ===================}
 
 {* protein topology file *}
@@ -247,6 +210,7 @@ coordinates @@$coor_infile
 delete sele=(name MAP) end
 
 if ( &auto_break = true ) then
+    inline @MODULE:prot_break.cns
     inline @MODULE:patch-breaks-cg-dna-rna.cns
 end if
 
@@ -257,56 +221,9 @@ inline @MODULE:charge-beads-interactions.cns
 
 show sum(1) ( not(hydrogen) and not(known) )
 if ( $select = 0 ) then
-    display  %INFO: There are no coordinates missing for non-hydrogen atoms
+    display  %INFO: There are no coordinates missing
 end if
 
-! checkfor disulphide bonds
-
-evaluate ($disu=0)
-
-for $id1 in id ( resn CYS and name SG ) loop dis1
-
-    show (segid) (id $id1)
-    evaluate ($segid1=$result)
-    show (resid) (id $id1)
-    evaluate ($resid1=$result)
-
-    identity (store9) (all)
-
-    for $id2 in id ( resn CYS and name SG and 
-                   ( attr store9 > $id1 ) ) loop dis2
-
-        show (segid) (id $id2)
-        evaluate ($segid2=$result)
-        show (resid) (id $id2)
-        evaluate ($resid2=$result)
-
-        pick bond (id $id1) (id $id2) geometry
-
-        if ( $result <= &disulphide_dist ) then
-            evaluate ($disu=$disu+1)
-            evaluate ($seg1.$disu=$segid1)
-            evaluate ($seg2.$disu=$segid2)
-            evaluate ($res1.$disu=$resid1)
-            evaluate ($res2.$disu=$resid2)
-        end if
-
-    end loop dis2
-end loop dis1
-
-evaluate ($counter=1)
-while ( $counter <= $disu ) loop disu
-    patch disu
-        reference=1=(segid $seg1.$counter and resid $res1.$counter)
-        reference=2=(segid $seg2.$counter and resid $res2.$counter)
-    end
-    buffer message
-       display disulphide added: from \
-$seg1.$counter[a4] $res1.$counter[a4] to $seg2.$counter[a4] $res2.$counter[a4]
-    end
-    evaluate ($counter=$counter+1)
-end loop disu
-
 parameter
     nbonds
         nbxmod=5 atom cdie shift
@@ -334,38 +251,6 @@ if ($bonded > 10000) then
     close $dispfile end
 end if
 
-show sum(1) (not(known))
-if ( $result < 100 ) then
-    for $id in id (not(known)) loop print
-        show (segid) (id $id)
-        evaluate ($segid=$result)
-        show (resn) (id $id)
-        evaluate ($resn=$result)
-        show (resid) (id $id)
-        evaluate ($resid=$result)
-        show (name) (id $id)
-        evaluate ($name=$result)
-        buffer message
-            display unknown coordinates for atom: $segid[a4] $resn[a4] $resid[a4] $name[a4]
-        end
-    end loop print
-else
-    buffer message
-        display unknown coordinates for more than 100 atoms
-    end
-end if
-
-if (&set_occupancy=true) then
-    if (&set_occupancy=true) then
-        do (q=&occupancy) ( all )
-    end if
-else
-    if (&set_occupancy=true) then
-        do (q=&occupancy) ( not(store9) )
-        do (q=0.0) (store9)
-    end if
-end if
-
 write structure output=$output_psf_filename end
 write coordinates format=pdbo output=$output_pdb_filename end
 
diff --git a/utils/haddock-restraints b/utils/haddock-restraints
new file mode 100755
index 000000000..ecff759e6
Binary files /dev/null and b/utils/haddock-restraints differ


Test patch:
diff --git a/examples/docking-protein-DNA/docking-protein-DNA-cmrest-test.cfg b/examples/docking-protein-DNA/docking-protein-DNA-cmrest-test.cfg
index cd2b18aa4..77e00c77c 100644
--- a/examples/docking-protein-DNA/docking-protein-DNA-cmrest-test.cfg
+++ b/examples/docking-protein-DNA/docking-protein-DNA-cmrest-test.cfg
@@ -27,6 +27,7 @@ sampling = 20
 epsilon = 78
 dielec = "cdie"
 randremoval = false
+w_desolv = 0
 
 [caprieval]
 reference_fname = "data/target.pdb"
@@ -41,6 +42,7 @@ epsilon = 78
 dielec = "cdie"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "data/target.pdb"
@@ -50,6 +52,7 @@ tolerance = 20
 contactairs = true
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [clustfcc]
 min_population = 2
diff --git a/examples/docking-protein-DNA/docking-protein-DNA-mdref-test.cfg b/examples/docking-protein-DNA/docking-protein-DNA-mdref-test.cfg
index 04295aae6..e698aec9c 100644
--- a/examples/docking-protein-DNA/docking-protein-DNA-mdref-test.cfg
+++ b/examples/docking-protein-DNA/docking-protein-DNA-mdref-test.cfg
@@ -27,6 +27,7 @@ sampling = 20
 epsilon = 78
 dielec = "cdie"
 randremoval = false
+w_desolv = 0
 
 [caprieval]
 reference_fname = "data/target.pdb"
@@ -41,6 +42,7 @@ epsilon = 78
 dielec = "cdie"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "data/target.pdb"
@@ -51,6 +53,7 @@ ambig_fname = "data/cro_air.tbl"
 randremoval = false
 dnarest_on = true
 keepwater = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "data/target.pdb"
diff --git a/examples/docking-protein-DNA/docking-protein-DNA-test.cfg b/examples/docking-protein-DNA/docking-protein-DNA-test.cfg
index 8fd2650db..ddfe046e7 100644
--- a/examples/docking-protein-DNA/docking-protein-DNA-test.cfg
+++ b/examples/docking-protein-DNA/docking-protein-DNA-test.cfg
@@ -27,6 +27,7 @@ sampling = 20
 epsilon = 78
 dielec = "cdie"
 randremoval = false
+w_desolv = 0
 
 [caprieval]
 reference_fname = "data/target.pdb"
@@ -41,6 +42,7 @@ epsilon = 78
 dielec = "cdie"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [caprieval]
 reference_fname = "data/target.pdb"
@@ -50,6 +52,7 @@ tolerance = 20
 ambig_fname = "data/cro_air.tbl"
 randremoval = false
 dnarest_on = true
+w_desolv = 0
 
 [clustfcc]
 min_population = 2
diff --git a/examples/peptide-cyclisation/cyclise-peptide-test.cfg b/examples/peptide-cyclisation/cyclise-peptide-test.cfg
index b03976762..6abdd0ca5 100644
--- a/examples/peptide-cyclisation/cyclise-peptide-test.cfg
+++ b/examples/peptide-cyclisation/cyclise-peptide-test.cfg
@@ -22,7 +22,7 @@ ncores = 10
 debug = false
 concat = 1
 
-# molecules to be docked
+# ensemble of two initial peptide conformations
 molecules = [
     "data/1sfi_peptide-ensemble.pdb",
     ] 
diff --git a/tests/test_cli_restraints.py b/tests/test_cli_restraints.py
index 25854a027..1da61bb40 100644
--- a/tests/test_cli_restraints.py
+++ b/tests/test_cli_restraints.py
@@ -15,6 +15,25 @@
     calc_accessibility,
     REL_ASA,
     )
+from haddock.clis.restraints.z_surface_restraints import (
+    compute_barycenter,
+    get_z_coords,
+    load_selected_resiudes_coords,
+    load_selections,
+    shape_bead,
+    step_coords,
+    )
+from haddock.libs.libpdb import (
+    slc_serial,
+    slc_name,
+    slc_resname,
+    slc_chainid,
+    slc_resseq,
+    slc_x,
+    slc_y,
+    slc_z,
+    slc_temp,
+    )
 
 from . import golden_data
 from tests.test_module_caprieval import protdna_input_list  # noqa : F401
@@ -143,4 +162,100 @@ def test_calc_accessibility(protdna_input_list, caplog):  # noqa : F811
     calc_accessibility(str(protdna_input_list[0].rel_path), cutoff=0.9)
     assert caplog.messages[-2].endswith("Chain A - 14,25,53")
     # DNA accessibility does not change with a higher cutoff!
-    assert caplog.messages[-1].endswith("Chain B - 2,3,4,5,6,7,8,9,10,11,28,29,30,31,32,33,34,35,36,37,38")  # noqa : E501
\ No newline at end of file
+    assert caplog.messages[-1].endswith("Chain B - 2,3,4,5,6,7,8,9,10,11,28,29,30,31,32,33,34,35,36,37,38")  # noqa : E501
+
+
+def test_step_coords():
+    """Test small size versus spacing."""
+    coords = [coord for coord in step_coords(20, 2)]
+    ref_coords = [coord for coord in range(-10, 12, 2)]
+    assert coords == ref_coords
+
+
+def test_step_coords_wrong_spacing():
+    """Test small size versus spacing."""
+    with pytest.raises(ValueError):
+        step_coords(2, 20)
+
+
+def test_shape_bead_valid_pdb_format():
+    """Test that the generated shape beads are well formated."""
+    bead = shape_bead(1, 1, 1, 1, chain='Z', atindex=1234, bfactor=100)
+    assert bead[slc_serial].strip() == '1234'
+    assert bead[slc_name].strip() == 'SHA'
+    assert bead[slc_chainid].strip() == 'Z'
+    assert bead[slc_resseq].strip() == '1'
+    assert bead[slc_resname].strip() == 'SHA'
+    assert bead[slc_x].strip() == '1.000'
+    assert bead[slc_y].strip() == '1.000'
+    assert bead[slc_z].strip() == '1.000'
+    assert bead[slc_temp].strip() == '100.00'
+
+
+def test_load_selections():
+    """Test residue selection loading."""
+    loaded = load_selections(["1,2,3", "4,5,6"])
+    assert list(loaded.values()) == [[1, 2, 3], [4, 5, 6]]
+    loaded = load_selections(["1,2,3", "4,5,a"])
+    assert list(loaded.values()) == [[1, 2, 3], [4, 5]]
+
+
+def test_compute_barycenter():
+    """Test center of mass computation."""
+    barycenter = compute_barycenter([[0, 0, 0], [1, 1, 1]])
+    assert barycenter == (0.5, 0.5, 0.5)
+    barycenter = compute_barycenter([[0, 0, 0], [1, 1, 1], [2, 2, 2]])
+    assert barycenter == (1, 1, 1)
+
+
+def test_load_selected_resiudes_coords(example_pdb_file):
+    """Test loading of selected resiudes from pdb file."""
+    select_coords, _chainids, _atnames = load_selected_resiudes_coords(
+        example_pdb_file,
+        {
+            "select_1": [1],
+            "select_2": [2, 3],
+            },
+        )
+    assert select_coords["select_1"][0] == (3.439, 7.910, -11.913)
+    assert select_coords["select_2"][0] == (1.091, 9.158, -9.167)
+    assert select_coords["select_2"][1] == (2.045, 9.187, -5.471)
+
+
+def test_get_z_coords():
+    """Test return z positions for two selections."""
+    z_coords = get_z_coords(
+        {
+            "select_1": [(0, 0, 0)],
+            "select_2": [(0, 0, 0)],
+            },
+        padding=0,
+        )
+    assert any([
+        z_coords == {"select_1": 0.0, "select_2": -0.0},
+        z_coords == {"select_1": -0.0, "select_2": 0.0},
+        ])
+   
+    z_coords = get_z_coords(
+        {
+            "select_1": [(0, 0, 0)],
+            "select_2": [(0, 0, -3)],
+            },
+        padding=1,
+        )
+    assert any([
+        z_coords == {"select_1": 2, "select_2": -2},
+        z_coords == {"select_1": -2, "select_2": 2},
+        ])
+
+
+def test_get_z_coords_empty_select():
+    """Test return of position 0 if no selection."""
+    z_coords = get_z_coords({})
+    assert list(z_coords.values()) == [0]
+
+
+def test_get_z_coords_1_select():
+    """Test return of position 0 if only one selection."""
+    z_coords = get_z_coords({"select_1": [(1, 2, 3)]})
+    assert list(z_coords.values()) == [0]