HEADER    HYDROLASE(ACID PROTEASE)                08-JUL-94   2SAM      2SAM   2
COMPND    SIMIAN IMMUNODEFICIENCY VIRUS (SIV) PROTEASE MUTANT WITH      2SAM   3
COMPND   2 SER 4 REPLACED BY HIS (S4H)                                  2SAM   4
SOURCE    SIV FROM MACAQUE MONKEYS RECOMBINANT FORM SIV=MAC=239         2SAM   5
SOURCE   2 FROM PLASMID SOD/SIV EXPRESSED IN (ESCHERICHIA COLI)         2SAM   6
AUTHOR    R.B.ROSE,J.R.ROSE,R.SALTO,C.S.CRAIK,R.M.STROUD                2SAM   7
REVDAT   1   15-OCT-94 2SAM    0                                        2SAM   8
REMARK   1                                                              2SAM   9
REMARK   1 REFERENCE 1                                                  2SAM  10
REMARK   1  AUTH   R.B.ROSE,J.R.ROSE,R.SALTO,C.CRAIK,R.M.STROUD         2SAM  11
REMARK   1  TITL   STRUCTURE OF THE PROTEASE FROM SIMIAN                2SAM  12
REMARK   1  TITL 2 IMMUNODEFICIENCY VIRUS:  COMPLEX WITH AN             2SAM  13
REMARK   1  TITL 3 IRREVERSIBLE NON-PEPTIDE INHIBITOR                   2SAM  14
REMARK   1  REF    BIOCHEMISTRY                  V.  32 12498 1993      2SAM  15
REMARK   1  REFN   ASTM BICHAW  US ISSN 0006-2960                 0033  2SAM  16
REMARK   2                                                              2SAM  17
REMARK   2 RESOLUTION. 2.4  ANGSTROMS.                                  2SAM  18
REMARK   3                                                              2SAM  19
REMARK   3 REFINEMENT.                                                  2SAM  20
REMARK   3   PROGRAM                    X-PLOR                          2SAM  21
REMARK   3   AUTHORS                    BRUNGER                         2SAM  22
REMARK   3   R VALUE                    0.19                            2SAM  23
REMARK   3   RMSD BOND DISTANCES        0.014  ANGSTROMS                2SAM  24
REMARK   3   RMSD BOND ANGLES           3.2    DEGREES                  2SAM  25
REMARK   3                                                              2SAM  26
REMARK   3   NUMBER OF REFLECTIONS      21880                           2SAM  27
REMARK   3   RESOLUTION RANGE       40. - 2.4  ANGSTROMS                2SAM  28
REMARK   3   DATA CUTOFF                1.0    SIGMA(F)                 2SAM  29
REMARK   3   PERCENT COMPLETION         92.                             2SAM  30
REMARK   3                                                              2SAM  31
REMARK   3   NUMBER OF PROTEIN ATOMS                        742         2SAM  32
REMARK   3   NUMBER OF SOLVENT ATOMS                         24         2SAM  33
REMARK   4                                                              2SAM  34
REMARK   4 FOUR SIDE CHAINS ARE NOT SEEN IN THE ELECTRON DENSITY:       2SAM  35
REMARK   4 LYS 7, GLU 37, ARG 70, LYS 72.  THESE RESIDUES ARE ON THE    2SAM  36
REMARK   4 SURFACE OF THE PROTEIN AND ARE PRESUMABLY DISORDERED.        2SAM  37
REMARK   5                                                              2SAM  38
REMARK   5 THE HIV-1 PROTEASE IS A DIMER.  IN THE CRYSTAL THE TWO       2SAM  39
REMARK   5 MONOMERS ARE RELATED BY A CRYSTALLOGRAPHIC TWO-FOLD AXIS.    2SAM  40
REMARK   5 TO GENERATE THE SYMMETRY RELATED MONOMER, THE FOLLOWING      2SAM  41
REMARK   5 TRANSFORMATION MUST BE APPLIED TO THE COORDINATES            2SAM  42
REMARK   5 PRESENTED IN THIS ENTRY                                      2SAM  43
REMARK   5                                                              2SAM  44
REMARK   5 MTRIX1   1  1.000000  0.000000  0.000000       0.000000      2SAM  45
REMARK   5 MTRIX2   1  0.000000 -1.000000  0.000000       0.000000      2SAM  46
REMARK   5 MTRIX3   1  0.000000  0.000000 -1.000000       0.000000      2SAM  47
REMARK   6                                                              2SAM  48
REMARK   6 THE DIMER INTERFACE IS COMPOSED OF INTERDIGITATED N- AND     2SAM  49
REMARK   6 C-TERMINI FROM BOTH SUBUNITS FORMING A FOUR-STRANDED         2SAM  50
REMARK   6 ANTIPARALLEL BETA-SHEET.  BECAUSE OF LIMITATIONS IMPOSED     2SAM  51
REMARK   6 BY THE PROTEIN DATA BANK FORMAT IT IS NOT POSSIBLE TO        2SAM  52
REMARK   6 PRESENT THIS SHEET ON SHEET RECORDS.  INSTEAD THIS SHEET     2SAM  53
REMARK   6 IS SPECIFIED IN THIS REMARK.  STRANDS 1 AND 3 ARE FROM THE   2SAM  54
REMARK   6 MOLECULE IN THIS ENTRY AND STRANDS 2 AND 4 ARE FROM THE      2SAM  55
REMARK   6 SYMMETRY RELATED MOLECULE.                                   2SAM  56
REMARK   6 I   4 PRO     1  THR     4  0                                2SAM  57
REMARK   6 I   4 THR    96  PHE    99 -1                                2SAM  58
REMARK   6 I   4 THR    96  PHE    99 -1                                2SAM  59
REMARK   6 I   4 PRO     1  THR     4 -1                                2SAM  60
REMARK   7                                                              2SAM  61
REMARK   7 SEQUENCE ADVISORY NOTICE                                     2SAM  62
REMARK   7      DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE.         2SAM  63
REMARK   7                                                              2SAM  64
REMARK   7      SWISS-PROT ENTRY NAME: POL_SIVM1                        2SAM  65
REMARK   7                                                              2SAM  66
REMARK   7      SWISS-PROT RESIDUE      PDB SEQRES                      2SAM  67
REMARK   7                                                              2SAM  68
REMARK   7        NAME   NUMBER         NAME   CHAIN  SEQ/INSERT CODE   2SAM  69
REMARK   7        SER      109          HIS              4              2SAM  70
REMARK   7        ARG      112          LYS              7              2SAM  71
REMARK   7        LEU      204          PHE             99              2SAM  72
REMARK   7                                                              2SAM  73
REMARK   7 THE SEQUENCE IN THIS ENTRY IS FROM SIVMM239 (AS NAMED IN     2SAM  74
REMARK   7 THE "HUMAN RETROVIRUS AND AIDS" LISTING OF SEQUENCES OF HIV  2SAM  75
REMARK   7 GENOMES, PUBLISHED BY LOS ALAMOS NATIONAL LABORATORY.  THIS  2SAM  76
REMARK   7 SEQUENCE IS DIFFERENT THAN THE POL_SIVM1 SEQUENCE ABOVE IN   2SAM  77
REMARK   7 TWO POSITIONS, AT RESIDUE 7 WHICH IS LYS IN THIS STRUCTURE   2SAM  78
REMARK   7 AND ARG IN POL_SIVM1 AND AT RESIDUE 99 WHICH IS PHE IN THIS  2SAM  79
REMARK   7 STRUCTURE AND LEU IN POL_SIMV1.  THE HIS AT POSITION 4 IN    2SAM  80
REMARK   7 THIS STRUCTURE IS A POINT MUTANT AND IS A SER IN THE         2SAM  81
REMARK   7 WILD-TYPE SIVMM239 SEQUENCE.  THIS POINT MUTATION AT         2SAM  82
REMARK   7 RESIDUE 4 WAS ENGINEERED TO DECREASE THE PROTEASE'S          2SAM  83
REMARK   7 SUSCEPTIBILITY TO AUTOPROTEOLYSIS.                           2SAM  84
REMARK   8                                                              2SAM  85
REMARK   8 THE OCCUPANCY OF THE LIGAND, EPNP, WAS REFINED TO 0.5. THE   2SAM  86
REMARK   8 STOICHIOMETRY OF BINDING OF EPNP TO SIV PROTEASE IS ONE      2SAM  87
REMARK   8 MOLECULE PER PROTEASE DIMER; ONLY ONE OF THE ACTIVE-SITE     2SAM  88
REMARK   8 ASPARTIC ACIDS PER DIMER BECOMES LABELLED BY EPNP.  UPON     2SAM  89
REMARK   8 EPNP BINDING TO THE DIMER, EACH INDIVIDUAL DIMER MOLECULE    2SAM  90
REMARK   8 IS NO LONGER TWO-FOLD SYMMETRICAL AROUND THE                 2SAM  91
REMARK   8 CRYSTALLOGRAPHIC TWO-FOLD AXIS.  THE DIMER TWO-FOLD IS       2SAM  92
REMARK   8 STILL A CRYSTALLOGRAPHIC TWO-FOLD BECAUSE STATISTICALLY      2SAM  93
REMARK   8 THROUGHOUT THE CRYSTAL THE EPNP IS LOCATED ON EITHER OF THE  2SAM  94
REMARK   8 TWO ACTIVE-SITE ASPARTIC ACIDS WITH EQUAL PROBABILITY.       2SAM  95
SEQRES   1     99  PRO GLN PHE HIS LEU TRP LYS ARG PRO VAL VAL THR ALA  2SAM  96
SEQRES   2     99  HIS ILE GLU GLY GLN PRO VAL GLU VAL LEU LEU ASP THR  2SAM  97
SEQRES   3     99  GLY ALA ASP ASP SER ILE VAL THR GLY ILE GLU LEU GLY  2SAM  98
SEQRES   4     99  PRO HIS TYR THR PRO LYS ILE VAL GLY GLY ILE GLY GLY  2SAM  99
SEQRES   5     99  PHE ILE ASN THR LYS GLU TYR LYS ASN VAL GLU ILE GLU  2SAM 100
SEQRES   6     99  VAL LEU GLY LYS ARG ILE LYS GLY THR ILE MET THR GLY  2SAM 101
SEQRES   7     99  ASP THR PRO ILE ASN ILE PHE GLY ARG ASN LEU LEU THR  2SAM 102
SEQRES   8     99  ALA LEU GLY MET SER LEU ASN PHE                      2SAM 103
FTNOTE   1                                                              2SAM 104
FTNOTE   1 THE EPN INHIBITOR IS COVALENTLY BOUND TO OD2 OF ASP 25.      2SAM 105
HET    EPN    101      14     1,2-EPOXY-3-(P-NITROPHENOXY)-PROPANE      2SAM 106
FORMUL   2  EPN    C9 H9 N1 O4                                          2SAM 107
FORMUL   3  HOH   *24(H2 O1)                                            2SAM 108
HELIX    1 A   ARG     87  GLY     94  1                                2SAM 109
SHEET    1 II  4 GLN    18  GLU    21  0                                2SAM 110
SHEET    2 II  4 THR    12  ILE    15 -1  N  ALA    13   O  VAL    20   2SAM 111
SHEET    3 II  4 ASN    61  VAL    66 -1  O  GLU    65   N  HIS    14   2SAM 112
SHEET    4 II  4 LYS    69  GLY    73 -1  O  LYS    69   N  VAL    66   2SAM 113
SHEET    1 III 7 PRO     9  VAL    11  0                                2SAM 114
SHEET    2 III 7 VAL    22  LEU    24 -1  N  LEU    24   O  PRO     9   2SAM 115
SHEET    3 III 7 ASN    83  GLY    86  1  N  PHE    85   O  LEU    23   2SAM 116
SHEET    4 III 7 ASP    30  THR    34 -1  O  ASP    30   N  GLY    86   2SAM 117
SHEET    5 III 7 THR    74  ASP    79  1  N  MET    76   O  SER    31   2SAM 118
SHEET    6 III 7 GLY    52  LYS    60 -1  O  TYR    59   N  ILE    75   2SAM 119
SHEET    7 III 7 THR    43  GLY    49 -1  N  THR    43   O  GLU    58   2SAM 120
TURN     1 T1  LYS    69  VAL    66                                     2SAM 121
TURN     2 T2  ILE    15  GLN    18                                     2SAM 122
TURN     3 T3  GLY    49  GLY    52                                     2SAM 123
TURN     4 T4  ASP    25  ALA    28                                     2SAM 124
CRYST1   62.700   32.200   96.100  90.00  90.00  90.00 C 2 2 21      8  2SAM 125
ORIGX1      1.000000  0.000000  0.000000        0.00000                 2SAM 126
ORIGX2      0.000000  1.000000  0.000000        0.00000                 2SAM 127
ORIGX3      0.000000  0.000000  1.000000        0.00000                 2SAM 128
SCALE1      0.015949  0.000000  0.000000        0.00000                 2SAM 129
SCALE2      0.000000  0.031056  0.000000        0.00000                 2SAM 130
SCALE3      0.000000  0.000000  0.010406        0.00000                 2SAM 131
ATOM      1  N   PRO     1       3.518   5.816  -4.523  1.00 23.85      2SAM 132
ATOM      2  CA  PRO     1       2.889   6.904  -3.790  1.00 22.41      2SAM 133
ATOM      3  C   PRO     1       1.734   6.215  -3.096  1.00 22.08      2SAM 134
ATOM      4  O   PRO     1       1.512   5.066  -3.449  1.00 22.60      2SAM 135
ATOM      5  CB  PRO     1       2.407   7.942  -4.806  1.00 27.17      2SAM 136
ATOM      6  CG  PRO     1       3.363   7.768  -5.963  1.00 24.94      2SAM 137
ATOM      7  CD  PRO     1       3.558   6.240  -5.925  1.00 27.39      2SAM 138
ATOM      8  N   GLN     2       0.972   6.770  -2.162  1.00 26.25      2SAM 139
ATOM      9  CA  GLN     2      -0.090   6.025  -1.530  1.00 28.40      2SAM 140
ATOM     10  C   GLN     2      -1.001   7.060  -0.931  1.00 28.13      2SAM 141
ATOM     11  O   GLN     2      -0.682   8.248  -0.860  1.00 24.35      2SAM 142
ATOM     12  CB  GLN     2       0.441   5.088  -0.424  1.00 32.42      2SAM 143
ATOM     13  CG  GLN     2       0.739   5.639   0.956  1.00 45.21      2SAM 144
ATOM     14  CD  GLN     2       2.201   5.801   1.360  1.00 52.00      2SAM 145
ATOM     15  OE1 GLN     2       2.543   6.819   1.969  1.00 54.20      2SAM 146
ATOM     16  NE2 GLN     2       3.115   4.853   1.151  1.00 54.60      2SAM 147
ATOM     17  N   PHE     3      -2.163   6.565  -0.569  1.00 25.53      2SAM 148
ATOM     18  CA  PHE     3      -3.163   7.364   0.068  1.00 25.96      2SAM 149
ATOM     19  C   PHE     3      -3.031   6.849   1.492  1.00 31.88      2SAM 150
ATOM     20  O   PHE     3      -2.750   5.665   1.701  1.00 28.51      2SAM 151
ATOM     21  CB  PHE     3      -4.540   7.027  -0.444  1.00 26.38      2SAM 152
ATOM     22  CG  PHE     3      -4.759   7.398  -1.884  1.00 29.33      2SAM 153
ATOM     23  CD1 PHE     3      -4.245   6.598  -2.893  1.00 30.17      2SAM 154
ATOM     24  CD2 PHE     3      -5.496   8.531  -2.180  1.00 29.97      2SAM 155
ATOM     25  CE1 PHE     3      -4.477   6.937  -4.212  1.00 32.04      2SAM 156
ATOM     26  CE2 PHE     3      -5.721   8.856  -3.502  1.00 32.27      2SAM 157
ATOM     27  CZ  PHE     3      -5.214   8.063  -4.517  1.00 32.42      2SAM 158
ATOM     28  N   HIS     4      -3.146   7.740   2.475  1.00 35.51      2SAM 159
ATOM     29  CA  HIS     4      -3.133   7.395   3.889  1.00 35.62      2SAM 160
ATOM     30  C   HIS     4      -4.596   7.602   4.157  1.00 34.32      2SAM 161
ATOM     31  O   HIS     4      -5.135   8.612   3.718  1.00 41.03      2SAM 162
ATOM     32  CB  HIS     4      -2.291   8.370   4.669  1.00 40.81      2SAM 163
ATOM     33  CG  HIS     4      -0.806   8.072   4.511  1.00 48.25      2SAM 164
ATOM     34  ND1 HIS     4      -0.092   7.145   5.146  1.00 49.93      2SAM 165
ATOM     35  CD2 HIS     4       0.053   8.745   3.660  1.00 53.31      2SAM 166
ATOM     36  CE1 HIS     4       1.154   7.235   4.716  1.00 53.72      2SAM 167
ATOM     37  NE2 HIS     4       1.234   8.197   3.821  1.00 54.69      2SAM 168
ATOM     38  N   LEU     5      -5.286   6.772   4.903  1.00 28.64      2SAM 169
ATOM     39  CA  LEU     5      -6.730   6.831   4.898  1.00 20.22      2SAM 170
ATOM     40  C   LEU     5      -7.424   7.745   5.899  1.00 23.60      2SAM 171
ATOM     41  O   LEU     5      -8.595   7.587   6.218  1.00 18.44      2SAM 172
ATOM     42  CB  LEU     5      -7.121   5.349   4.984  1.00 20.06      2SAM 173
ATOM     43  CG  LEU     5      -6.669   4.411   3.789  1.00 15.45      2SAM 174
ATOM     44  CD1 LEU     5      -6.665   2.968   4.245  1.00 18.19      2SAM 175
ATOM     45  CD2 LEU     5      -7.599   4.580   2.584  1.00  8.83      2SAM 176
ATOM     46  N   TRP     6      -6.743   8.826   6.307  1.00 28.03      2SAM 177
ATOM     47  CA  TRP     6      -7.288   9.803   7.257  1.00 25.98      2SAM 178
ATOM     48  C   TRP     6      -8.378  10.552   6.567  1.00 27.34      2SAM 179
ATOM     49  O   TRP     6      -9.262  11.059   7.237  1.00 33.54      2SAM 180
ATOM     50  CB  TRP     6      -6.258  10.843   7.715  1.00 26.90      2SAM 181
ATOM     51  CG  TRP     6      -5.031  10.146   8.305  1.00 38.66      2SAM 182
ATOM     52  CD1 TRP     6      -3.834  10.057   7.610  1.00 40.33      2SAM 183
ATOM     53  CD2 TRP     6      -5.012   9.443   9.504  1.00 39.37      2SAM 184
ATOM     54  NE1 TRP     6      -3.068   9.279   8.356  1.00 42.90      2SAM 185
ATOM     55  CE2 TRP     6      -3.730   8.892   9.485  1.00 42.59      2SAM 186
ATOM     56  CE3 TRP     6      -5.888   9.211  10.557  1.00 38.58      2SAM 187
ATOM     57  CZ2 TRP     6      -3.324   8.088  10.539  1.00 40.22      2SAM 188
ATOM     58  CZ3 TRP     6      -5.478   8.414  11.600  1.00 37.08      2SAM 189
ATOM     59  CH2 TRP     6      -4.209   7.861  11.583  1.00 41.09      2SAM 190
ATOM     60  N   LYS     7      -8.296  10.695   5.240  1.00 28.53      2SAM 191
ATOM     61  CA  LYS     7      -9.307  11.370   4.439  1.00 22.35      2SAM 192
ATOM     62  C   LYS     7      -9.795  10.299   3.449  1.00 23.61      2SAM 193
ATOM     63  O   LYS     7      -9.049   9.357   3.136  1.00 19.06      2SAM 194
ATOM     64  CB  LYS     7      -8.663  12.537   3.687  1.00 16.30      2SAM 195
ATOM     65  N   ARG     8     -11.058  10.392   2.988  1.00 18.97      2SAM 196
ATOM     66  CA  ARG     8     -11.621   9.543   1.945  1.00 17.22      2SAM 197
ATOM     67  C   ARG     8     -10.661   9.474   0.756  1.00 19.70      2SAM 198
ATOM     68  O   ARG     8     -10.256  10.583   0.402  1.00 15.25      2SAM 199
ATOM     69  CB  ARG     8     -12.925  10.135   1.465  1.00 17.21      2SAM 200
ATOM     70  CG  ARG     8     -14.086   9.926   2.395  1.00 22.75      2SAM 201
ATOM     71  CD  ARG     8     -15.417  10.393   1.843  1.00 21.03      2SAM 202
ATOM     72  NE  ARG     8     -16.355   9.329   2.129  1.00 27.39      2SAM 203
ATOM     73  CZ  ARG     8     -17.677   9.425   1.911  1.00 32.47      2SAM 204
ATOM     74  NH1 ARG     8     -18.225  10.569   1.479  1.00 26.06      2SAM 205
ATOM     75  NH2 ARG     8     -18.468   8.363   2.163  1.00 32.39      2SAM 206
ATOM     76  N   PRO     9     -10.226   8.354   0.114  1.00 20.85      2SAM 207
ATOM     77  CA  PRO     9      -9.302   8.349  -1.054  1.00 18.82      2SAM 208
ATOM     78  C   PRO     9     -10.089   8.628  -2.342  1.00 18.93      2SAM 209
ATOM     79  O   PRO     9     -10.758   7.766  -2.918  1.00 18.86      2SAM 210
ATOM     80  CB  PRO     9      -8.683   6.984  -0.962  1.00 20.12      2SAM 211
ATOM     81  CG  PRO     9      -9.832   6.089  -0.498  1.00 19.79      2SAM 212
ATOM     82  CD  PRO     9     -10.628   6.993   0.479  1.00 18.89      2SAM 213
ATOM     83  N   VAL    10     -10.096   9.905  -2.713  1.00 20.69      2SAM 214
ATOM     84  CA  VAL    10     -10.821  10.449  -3.859  1.00 20.65      2SAM 215
ATOM     85  C   VAL    10      -9.829  11.018  -4.899  1.00 25.60      2SAM 216
ATOM     86  O   VAL    10      -8.791  11.634  -4.616  1.00 26.41      2SAM 217
ATOM     87  CB  VAL    10     -11.791  11.550  -3.340  1.00 19.71      2SAM 218
ATOM     88  CG1 VAL    10     -12.476  12.302  -4.470  1.00 17.06      2SAM 219
ATOM     89  CG2 VAL    10     -12.890  10.895  -2.531  1.00 14.50      2SAM 220
ATOM     90  N   VAL    11     -10.103  10.686  -6.144  1.00 27.13      2SAM 221
ATOM     91  CA  VAL    11      -9.381  11.236  -7.255  1.00 21.73      2SAM 222
ATOM     92  C   VAL    11     -10.425  11.738  -8.279  1.00 25.08      2SAM 223
ATOM     93  O   VAL    11     -11.651  11.575  -8.151  1.00 19.30      2SAM 224
ATOM     94  CB  VAL    11      -8.436  10.175  -7.920  1.00 17.47      2SAM 225
ATOM     95  CG1 VAL    11      -7.157  10.145  -7.185  1.00 18.00      2SAM 226
ATOM     96  CG2 VAL    11      -8.980   8.801  -7.875  1.00 17.42      2SAM 227
ATOM     97  N   THR    12      -9.889  12.457  -9.268  1.00 28.89      2SAM 228
ATOM     98  CA  THR    12     -10.580  12.848 -10.490  1.00 26.20      2SAM 229
ATOM     99  C   THR    12     -10.168  11.861 -11.574  1.00 17.18      2SAM 230
ATOM    100  O   THR    12      -8.968  11.596 -11.739  1.00 14.02      2SAM 231
ATOM    101  CB  THR    12     -10.147  14.214 -10.935  1.00 30.25      2SAM 232
ATOM    102  OG1 THR    12     -10.273  15.056  -9.778  1.00 31.07      2SAM 233
ATOM    103  CG2 THR    12     -10.933  14.669 -12.188  1.00 29.00      2SAM 234
ATOM    104  N   ALA    13     -11.144  11.343 -12.291  1.00 11.33      2SAM 235
ATOM    105  CA  ALA    13     -10.927  10.411 -13.384  1.00 18.83      2SAM 236
ATOM    106  C   ALA    13     -11.563  10.989 -14.652  1.00 18.83      2SAM 237
ATOM    107  O   ALA    13     -12.515  11.775 -14.570  1.00 24.14      2SAM 238
ATOM    108  CB  ALA    13     -11.599   9.082 -13.107  1.00 15.48      2SAM 239
ATOM    109  N   HIS    14     -11.063  10.716 -15.849  1.00 22.13      2SAM 240
ATOM    110  CA  HIS    14     -11.728  11.147 -17.107  1.00 19.68      2SAM 241
ATOM    111  C   HIS    14     -12.263   9.886 -17.740  1.00 12.76      2SAM 242
ATOM    112  O   HIS    14     -11.520   8.924 -17.965  1.00 17.84      2SAM 243
ATOM    113  CB  HIS    14     -10.764  11.791 -18.077  1.00 19.98      2SAM 244
ATOM    114  CG  HIS    14     -10.406  13.138 -17.535  1.00 22.81      2SAM 245
ATOM    115  ND1 HIS    14      -9.324  13.469 -16.848  1.00 28.26      2SAM 246
ATOM    116  CD2 HIS    14     -11.243  14.214 -17.579  1.00 26.48      2SAM 247
ATOM    117  CE1 HIS    14      -9.476  14.704 -16.452  1.00 26.94      2SAM 248
ATOM    118  NE2 HIS    14     -10.629  15.140 -16.897  1.00 27.92      2SAM 249
ATOM    119  N   ILE    15     -13.555   9.806 -17.920  1.00 12.10      2SAM 250
ATOM    120  CA  ILE    15     -14.157   8.605 -18.463  1.00 18.57      2SAM 251
ATOM    121  C   ILE    15     -14.756   9.143 -19.762  1.00 24.99      2SAM 252
ATOM    122  O   ILE    15     -15.638  10.043 -19.758  1.00 20.95      2SAM 253
ATOM    123  CB  ILE    15     -15.247   8.074 -17.468  1.00 19.56      2SAM 254
ATOM    124  CG1 ILE    15     -14.600   7.579 -16.169  1.00 12.86      2SAM 255
ATOM    125  CG2 ILE    15     -16.047   6.968 -18.157  1.00 11.64      2SAM 256
ATOM    126  CD1 ILE    15     -15.627   6.993 -15.202  1.00 16.52      2SAM 257
ATOM    127  N   GLU    16     -14.184   8.627 -20.883  1.00 23.46      2SAM 258
ATOM    128  CA  GLU    16     -14.583   9.042 -22.223  1.00 13.30      2SAM 259
ATOM    129  C   GLU    16     -14.540  10.565 -22.321  1.00 11.81      2SAM 260
ATOM    130  O   GLU    16     -15.505  11.251 -22.675  1.00 10.11      2SAM 261
ATOM    131  CB  GLU    16     -15.982   8.521 -22.491  1.00 12.03      2SAM 262
ATOM    132  CG  GLU    16     -15.924   7.023 -22.689  1.00 20.16      2SAM 263
ATOM    133  CD  GLU    16     -15.084   6.528 -23.875  1.00 27.94      2SAM 264
ATOM    134  OE1 GLU    16     -14.887   7.250 -24.867  1.00 32.13      2SAM 265
ATOM    135  OE2 GLU    16     -14.638   5.386 -23.814  1.00 28.18      2SAM 266
ATOM    136  N   GLY    17     -13.429  11.074 -21.796  1.00  9.36      2SAM 267
ATOM    137  CA  GLY    17     -13.200  12.500 -21.704  1.00 19.41      2SAM 268
ATOM    138  C   GLY    17     -14.007  13.238 -20.637  1.00 23.22      2SAM 269
ATOM    139  O   GLY    17     -13.614  14.348 -20.313  1.00 26.26      2SAM 270
ATOM    140  N   GLN    18     -15.093  12.736 -20.052  1.00 24.13      2SAM 271
ATOM    141  CA  GLN    18     -15.826  13.435 -18.992  1.00 29.45      2SAM 272
ATOM    142  C   GLN    18     -15.066  13.384 -17.614  1.00 32.68      2SAM 273
ATOM    143  O   GLN    18     -14.620  12.301 -17.195  1.00 32.51      2SAM 274
ATOM    144  CB  GLN    18     -17.202  12.762 -18.966  1.00 29.39      2SAM 275
ATOM    145  CG  GLN    18     -17.890  12.743 -20.349  1.00 32.71      2SAM 276
ATOM    146  CD  GLN    18     -19.179  11.927 -20.492  1.00 38.86      2SAM 277
ATOM    147  OE1 GLN    18     -20.325  12.383 -20.308  1.00 40.03      2SAM 278
ATOM    148  NE2 GLN    18     -18.995  10.658 -20.847  1.00 39.28      2SAM 279
ATOM    149  N   PRO    19     -14.768  14.484 -16.884  1.00 31.31      2SAM 280
ATOM    150  CA  PRO    19     -14.176  14.471 -15.529  1.00 26.93      2SAM 281
ATOM    151  C   PRO    19     -15.191  14.077 -14.462  1.00 24.76      2SAM 282
ATOM    152  O   PRO    19     -16.328  14.578 -14.469  1.00 22.36      2SAM 283
ATOM    153  CB  PRO    19     -13.664  15.854 -15.345  1.00 27.11      2SAM 284
ATOM    154  CG  PRO    19     -14.777  16.667 -15.995  1.00 32.47      2SAM 285
ATOM    155  CD  PRO    19     -15.161  15.847 -17.249  1.00 33.21      2SAM 286
ATOM    156  N   VAL    20     -14.796  13.170 -13.568  1.00 26.37      2SAM 287
ATOM    157  CA  VAL    20     -15.658  12.692 -12.479  1.00 25.91      2SAM 288
ATOM    158  C   VAL    20     -14.780  12.473 -11.241  1.00 19.25      2SAM 289
ATOM    159  O   VAL    20     -13.594  12.137 -11.337  1.00 18.58      2SAM 290
ATOM    160  CB  VAL    20     -16.366  11.416 -13.030  1.00 24.57      2SAM 291
ATOM    161  CG1 VAL    20     -15.470  10.219 -12.976  1.00 31.16      2SAM 292
ATOM    162  CG2 VAL    20     -17.612  11.167 -12.262  1.00 30.80      2SAM 293
ATOM    163  N   GLU    21     -15.304  12.814 -10.073  1.00 21.73      2SAM 294
ATOM    164  CA  GLU    21     -14.631  12.670  -8.781  1.00 20.00      2SAM 295
ATOM    165  C   GLU    21     -14.984  11.280  -8.306  1.00 18.38      2SAM 296
ATOM    166  O   GLU    21     -16.192  10.984  -8.217  1.00 15.23      2SAM 297
ATOM    167  CB  GLU    21     -15.191  13.686  -7.868  1.00 29.35      2SAM 298
ATOM    168  CG  GLU    21     -14.437  14.989  -7.971  1.00 43.58      2SAM 299
ATOM    169  CD  GLU    21     -13.528  15.160  -6.759  1.00 54.79      2SAM 300
ATOM    170  OE1 GLU    21     -14.047  15.488  -5.675  1.00 55.49      2SAM 301
ATOM    171  OE2 GLU    21     -12.318  14.938  -6.906  1.00 57.50      2SAM 302
ATOM    172  N   VAL    22     -14.017  10.375  -8.138  1.00 11.73      2SAM 303
ATOM    173  CA  VAL    22     -14.331   9.019  -7.701  1.00 17.52      2SAM 304
ATOM    174  C   VAL    22     -13.670   8.572  -6.396  1.00 17.69      2SAM 305
ATOM    175  O   VAL    22     -12.521   8.958  -6.096  1.00 18.66      2SAM 306
ATOM    176  CB  VAL    22     -13.956   7.971  -8.808  1.00 13.40      2SAM 307
ATOM    177  CG1 VAL    22     -14.917   8.197  -9.971  1.00 14.96      2SAM 308
ATOM    178  CG2 VAL    22     -12.484   8.035  -9.174  1.00  8.21      2SAM 309
ATOM    179  N   LEU    23     -14.375   7.711  -5.649  1.00 15.05      2SAM 310
ATOM    180  CA  LEU    23     -13.845   7.133  -4.411  1.00 13.58      2SAM 311
ATOM    181  C   LEU    23     -13.233   5.775  -4.749  1.00 14.28      2SAM 312
ATOM    182  O   LEU    23     -13.916   4.901  -5.339  1.00 12.25      2SAM 313
ATOM    183  CB  LEU    23     -15.004   6.981  -3.393  1.00 13.53      2SAM 314
ATOM    184  CG  LEU    23     -14.769   6.294  -2.035  1.00 13.29      2SAM 315
ATOM    185  CD1 LEU    23     -13.696   7.036  -1.309  1.00  7.37      2SAM 316
ATOM    186  CD2 LEU    23     -16.014   6.311  -1.182  1.00  8.70      2SAM 317
ATOM    187  N   LEU    24     -11.960   5.586  -4.429  1.00  8.05      2SAM 318
ATOM    188  CA  LEU    24     -11.301   4.312  -4.641  1.00 11.69      2SAM 319
ATOM    189  C   LEU    24     -11.668   3.319  -3.523  1.00 13.73      2SAM 320
ATOM    190  O   LEU    24     -11.224   3.432  -2.380  1.00 21.41      2SAM 321
ATOM    191  CB  LEU    24      -9.832   4.556  -4.658  1.00 13.27      2SAM 322
ATOM    192  CG  LEU    24      -9.309   5.641  -5.543  1.00 12.06      2SAM 323
ATOM    193  CD1 LEU    24      -7.838   5.820  -5.244  1.00 15.15      2SAM 324
ATOM    194  CD2 LEU    24      -9.503   5.272  -6.987  1.00  6.97      2SAM 325
ATOM    195  N   ASP    25     -12.381   2.239  -3.786  1.00 13.81      2SAM 326
ATOM    196  CA  ASP    25     -12.999   1.455  -2.753  1.00 10.25      2SAM 327
ATOM    197  C   ASP    25     -12.562   0.019  -2.724  1.00 14.14      2SAM 328
ATOM    198  O   ASP    25     -13.180  -0.730  -3.469  1.00 22.86      2SAM 329
ATOM    199  CB  ASP    25     -14.491   1.623  -2.994  1.00  4.41      2SAM 330
ATOM    200  CG  ASP    25     -15.466   0.896  -2.111  1.00  3.91      2SAM 331
ATOM    201  OD1 ASP    25     -15.151  -0.175  -1.614  1.00  8.85      2SAM 332
ATOM    202  OD2 ASP    25     -16.765   1.384  -1.921  1.00  6.84   1  2SAM 333
ATOM    203  N   THR    26     -11.636  -0.484  -1.892  1.00  9.58      2SAM 334
ATOM    204  CA  THR    26     -11.297  -1.901  -1.936  1.00  8.30      2SAM 335
ATOM    205  C   THR    26     -12.433  -2.872  -1.611  1.00  9.55      2SAM 336
ATOM    206  O   THR    26     -12.297  -4.080  -1.792  1.00 18.43      2SAM 337
ATOM    207  CB  THR    26     -10.134  -2.108  -1.013  1.00 13.17      2SAM 338
ATOM    208  OG1 THR    26     -10.613  -1.664   0.254  1.00 18.13      2SAM 339
ATOM    209  CG2 THR    26      -8.862  -1.338  -1.441  1.00  6.52      2SAM 340
ATOM    210  N   GLY    27     -13.606  -2.373  -1.216  1.00  9.11      2SAM 341
ATOM    211  CA  GLY    27     -14.684  -3.231  -0.842  1.00  7.20      2SAM 342
ATOM    212  C   GLY    27     -15.725  -3.276  -1.923  1.00 20.03      2SAM 343
ATOM    213  O   GLY    27     -16.853  -3.701  -1.696  1.00 28.54      2SAM 344
ATOM    214  N   ALA    28     -15.459  -2.782  -3.117  1.00 24.92      2SAM 345
ATOM    215  CA  ALA    28     -16.397  -2.881  -4.223  1.00 13.21      2SAM 346
ATOM    216  C   ALA    28     -15.712  -3.820  -5.206  1.00 10.87      2SAM 347
ATOM    217  O   ALA    28     -14.497  -3.774  -5.439  1.00  9.35      2SAM 348
ATOM    218  CB  ALA    28     -16.590  -1.493  -4.825  1.00 11.41      2SAM 349
ATOM    219  N   ASP    29     -16.476  -4.752  -5.751  1.00 11.32      2SAM 350
ATOM    220  CA  ASP    29     -15.960  -5.617  -6.811  1.00 20.53      2SAM 351
ATOM    221  C   ASP    29     -16.033  -4.882  -8.123  1.00 18.03      2SAM 352
ATOM    222  O   ASP    29     -15.111  -4.986  -8.914  1.00 27.09      2SAM 353
ATOM    223  CB  ASP    29     -16.761  -6.918  -7.002  1.00 25.59      2SAM 354
ATOM    224  CG  ASP    29     -16.923  -7.818  -5.766  1.00 23.43      2SAM 355
ATOM    225  OD1 ASP    29     -15.953  -8.026  -5.031  1.00 18.95      2SAM 356
ATOM    226  OD2 ASP    29     -18.044  -8.289  -5.553  1.00 22.56      2SAM 357
ATOM    227  N   ASP    30     -17.048  -4.024  -8.257  1.00 20.19      2SAM 358
ATOM    228  CA  ASP    30     -17.413  -3.240  -9.447  1.00 16.37      2SAM 359
ATOM    229  C   ASP    30     -17.189  -1.739  -9.331  1.00 17.17      2SAM 360
ATOM    230  O   ASP    30     -17.017  -1.225  -8.216  1.00 17.47      2SAM 361
ATOM    231  CB  ASP    30     -18.907  -3.472  -9.741  1.00 22.32      2SAM 362
ATOM    232  CG  ASP    30     -19.268  -4.943  -9.918  1.00 21.97      2SAM 363
ATOM    233  OD1 ASP    30     -18.465  -5.663 -10.501  1.00 25.93      2SAM 364
ATOM    234  OD2 ASP    30     -20.322  -5.374  -9.458  1.00 26.30      2SAM 365
ATOM    235  N   SER    31     -17.217  -0.997 -10.432  1.00 11.16      2SAM 366
ATOM    236  CA  SER    31     -17.146   0.459 -10.373  1.00  6.83      2SAM 367
ATOM    237  C   SER    31     -18.483   0.988 -10.845  1.00 10.33      2SAM 368
ATOM    238  O   SER    31     -19.114   0.409 -11.739  1.00 15.43      2SAM 369
ATOM    239  CB  SER    31     -16.047   0.956 -11.267  1.00  7.66      2SAM 370
ATOM    240  OG  SER    31     -14.817   0.303 -10.931  1.00  8.51      2SAM 371
ATOM    241  N   ILE    32     -19.045   2.019 -10.225  1.00 10.15      2SAM 372
ATOM    242  CA  ILE    32     -20.298   2.569 -10.662  1.00  7.96      2SAM 373
ATOM    243  C   ILE    32     -20.246   4.044 -10.358  1.00 16.71      2SAM 374
ATOM    244  O   ILE    32     -19.778   4.512  -9.302  1.00 21.05      2SAM 375
ATOM    245  CB  ILE    32     -21.535   1.820 -10.023  1.00 10.94      2SAM 376
ATOM    246  CG1 ILE    32     -22.614   2.847  -9.924  1.00  8.24      2SAM 377
ATOM    247  CG2 ILE    32     -21.223   1.030  -8.747  1.00 18.13      2SAM 378
ATOM    248  CD1 ILE    32     -23.939   2.194 -10.121  1.00 12.57      2SAM 379
ATOM    249  N   VAL    33     -20.605   4.695 -11.482  1.00 12.41      2SAM 380
ATOM    250  CA  VAL    33     -20.529   6.125 -11.653  1.00  9.74      2SAM 381
ATOM    251  C   VAL    33     -21.922   6.639 -11.970  1.00 11.28      2SAM 382
ATOM    252  O   VAL    33     -22.818   5.861 -12.295  1.00 17.31      2SAM 383
ATOM    253  CB  VAL    33     -19.452   6.259 -12.748  1.00 11.52      2SAM 384
ATOM    254  CG1 VAL    33     -19.564   7.578 -13.411  1.00 17.36      2SAM 385
ATOM    255  CG2 VAL    33     -18.019   6.219 -12.125  1.00  3.10      2SAM 386
ATOM    256  N   THR    34     -22.227   7.903 -11.794  1.00 11.99      2SAM 387
ATOM    257  CA  THR    34     -23.511   8.408 -12.199  1.00 19.27      2SAM 388
ATOM    258  C   THR    34     -23.150   9.728 -12.857  1.00 23.67      2SAM 389
ATOM    259  O   THR    34     -21.997  10.204 -12.829  1.00 26.11      2SAM 390
ATOM    260  CB  THR    34     -24.473   8.611 -10.964  1.00 27.04      2SAM 391
ATOM    261  OG1 THR    34     -25.742   8.964 -11.552  1.00 28.60      2SAM 392
ATOM    262  CG2 THR    34     -24.029   9.666  -9.918  1.00 24.09      2SAM 393
ATOM    263  N   GLY    35     -24.148  10.288 -13.527  1.00 26.07      2SAM 394
ATOM    264  CA  GLY    35     -23.985  11.574 -14.191  1.00 32.78      2SAM 395
ATOM    265  C   GLY    35     -23.046  11.602 -15.391  1.00 34.08      2SAM 396
ATOM    266  O   GLY    35     -22.693  12.685 -15.845  1.00 41.55      2SAM 397
ATOM    267  N   ILE    36     -22.634  10.452 -15.917  1.00 35.63      2SAM 398
ATOM    268  CA  ILE    36     -21.787  10.342 -17.099  1.00 34.51      2SAM 399
ATOM    269  C   ILE    36     -22.751   9.784 -18.161  1.00 34.20      2SAM 400
ATOM    270  O   ILE    36     -23.693   9.066 -17.779  1.00 31.32      2SAM 401
ATOM    271  CB  ILE    36     -20.626   9.392 -16.645  1.00 34.65      2SAM 402
ATOM    272  CG1 ILE    36     -19.352  10.145 -16.836  1.00 37.52      2SAM 403
ATOM    273  CG2 ILE    36     -20.534   8.088 -17.398  1.00 30.36      2SAM 404
ATOM    274  CD1 ILE    36     -19.292  11.419 -15.979  1.00 42.33      2SAM 405
ATOM    275  N   GLU    37     -22.659  10.086 -19.461  1.00 38.30      2SAM 406
ATOM    276  CA  GLU    37     -23.490   9.373 -20.452  1.00 36.63      2SAM 407
ATOM    277  C   GLU    37     -22.558   8.460 -21.267  1.00 35.35      2SAM 408
ATOM    278  O   GLU    37     -21.496   8.936 -21.730  1.00 33.30      2SAM 409
ATOM    279  CB  GLU    37     -24.182  10.364 -21.381  1.00 40.50      2SAM 410
ATOM    280  N   LEU    38     -22.830   7.143 -21.394  1.00 28.57      2SAM 411
ATOM    281  CA  LEU    38     -21.868   6.302 -22.110  1.00 32.08      2SAM 412
ATOM    282  C   LEU    38     -22.277   5.455 -23.328  1.00 36.27      2SAM 413
ATOM    283  O   LEU    38     -21.477   4.682 -23.877  1.00 39.38      2SAM 414
ATOM    284  CB  LEU    38     -21.176   5.383 -21.109  1.00 25.84      2SAM 415
ATOM    285  CG  LEU    38     -20.152   6.019 -20.212  1.00 26.70      2SAM 416
ATOM    286  CD1 LEU    38     -19.447   4.960 -19.414  1.00 19.78      2SAM 417
ATOM    287  CD2 LEU    38     -19.148   6.768 -21.054  1.00 30.54      2SAM 418
ATOM    288  N   GLY    39     -23.497   5.569 -23.837  1.00 35.59      2SAM 419
ATOM    289  CA  GLY    39     -23.839   4.803 -25.020  1.00 41.14      2SAM 420
ATOM    290  C   GLY    39     -25.132   4.052 -24.790  1.00 43.05      2SAM 421
ATOM    291  O   GLY    39     -25.665   4.028 -23.682  1.00 47.85      2SAM 422
ATOM    292  N   PRO    40     -25.722   3.459 -25.814  1.00 40.61      2SAM 423
ATOM    293  CA  PRO    40     -26.783   2.489 -25.648  1.00 34.00      2SAM 424
ATOM    294  C   PRO    40     -26.235   1.099 -25.741  1.00 26.62      2SAM 425
ATOM    295  O   PRO    40     -26.980   0.152 -25.889  1.00 25.29      2SAM 426
ATOM    296  CB  PRO    40     -27.735   2.819 -26.744  1.00 41.92      2SAM 427
ATOM    297  CG  PRO    40     -26.762   3.123 -27.877  1.00 43.25      2SAM 428
ATOM    298  CD  PRO    40     -25.740   4.016 -27.166  1.00 43.19      2SAM 429
ATOM    299  N   HIS    41     -24.939   0.921 -25.738  1.00 26.14      2SAM 430
ATOM    300  CA  HIS    41     -24.424  -0.415 -25.835  1.00 32.61      2SAM 431
ATOM    301  C   HIS    41     -24.080  -0.902 -24.442  1.00 32.39      2SAM 432
ATOM    302  O   HIS    41     -22.899  -0.945 -24.078  1.00 30.10      2SAM 433
ATOM    303  CB  HIS    41     -23.204  -0.398 -26.747  1.00 40.13      2SAM 434
ATOM    304  CG  HIS    41     -23.673  -0.526 -28.177  1.00 47.58      2SAM 435
ATOM    305  ND1 HIS    41     -23.850   0.433 -29.083  1.00 49.52      2SAM 436
ATOM    306  CD2 HIS    41     -24.053  -1.726 -28.736  1.00 49.20      2SAM 437
ATOM    307  CE1 HIS    41     -24.335  -0.139 -30.160  1.00 52.75      2SAM 438
ATOM    308  NE2 HIS    41     -24.450  -1.431 -29.938  1.00 51.68      2SAM 439
ATOM    309  N   TYR    42     -25.121  -1.204 -23.667  1.00 29.04      2SAM 440
ATOM    310  CA  TYR    42     -24.912  -1.699 -22.326  1.00 28.89      2SAM 441
ATOM    311  C   TYR    42     -25.703  -2.965 -22.080  1.00 31.39      2SAM 442
ATOM    312  O   TYR    42     -26.719  -3.183 -22.745  1.00 30.47      2SAM 443
ATOM    313  CB  TYR    42     -25.349  -0.664 -21.297  1.00 23.45      2SAM 444
ATOM    314  CG  TYR    42     -26.820  -0.420 -21.336  1.00 14.21      2SAM 445
ATOM    315  CD1 TYR    42     -27.665  -1.190 -20.603  1.00 13.12      2SAM 446
ATOM    316  CD2 TYR    42     -27.274   0.538 -22.159  1.00 17.10      2SAM 447
ATOM    317  CE1 TYR    42     -29.015  -1.004 -20.694  1.00 17.31      2SAM 448
ATOM    318  CE2 TYR    42     -28.629   0.740 -22.253  1.00 21.91      2SAM 449
ATOM    319  CZ  TYR    42     -29.512  -0.026 -21.519  1.00 20.70      2SAM 450
ATOM    320  OH  TYR    42     -30.898   0.185 -21.628  1.00 25.21      2SAM 451
ATOM    321  N   THR    43     -25.332  -3.688 -21.029  1.00 33.36      2SAM 452
ATOM    322  CA  THR    43     -26.101  -4.827 -20.547  1.00 33.33      2SAM 453
ATOM    323  C   THR    43     -26.686  -4.444 -19.182  1.00 36.14      2SAM 454
ATOM    324  O   THR    43     -25.970  -3.849 -18.366  1.00 36.77      2SAM 455
ATOM    325  CB  THR    43     -25.170  -6.028 -20.461  1.00 35.84      2SAM 456
ATOM    326  OG1 THR    43     -23.801  -5.686 -20.791  1.00 43.53      2SAM 457
ATOM    327  CG2 THR    43     -25.683  -7.058 -21.447  1.00 39.89      2SAM 458
ATOM    328  N   PRO    44     -27.959  -4.662 -18.848  1.00 38.56      2SAM 459
ATOM    329  CA  PRO    44     -28.555  -4.286 -17.546  1.00 36.16      2SAM 460
ATOM    330  C   PRO    44     -27.974  -5.072 -16.371  1.00 37.62      2SAM 461
ATOM    331  O   PRO    44     -27.739  -6.267 -16.573  1.00 43.19      2SAM 462
ATOM    332  CB  PRO    44     -30.017  -4.553 -17.723  1.00 35.44      2SAM 463
ATOM    333  CG  PRO    44     -30.186  -4.819 -19.220  1.00 39.21      2SAM 464
ATOM    334  CD  PRO    44     -28.884  -5.498 -19.603  1.00 35.53      2SAM 465
ATOM    335  N   LYS    45     -27.672  -4.552 -15.169  1.00 37.77      2SAM 466
ATOM    336  CA  LYS    45     -27.232  -5.382 -14.032  1.00 33.07      2SAM 467
ATOM    337  C   LYS    45     -27.947  -4.856 -12.779  1.00 32.85      2SAM 468
ATOM    338  O   LYS    45     -28.633  -3.841 -12.815  1.00 35.75      2SAM 469
ATOM    339  CB  LYS    45     -25.759  -5.272 -13.703  1.00 34.56      2SAM 470
ATOM    340  CG  LYS    45     -24.655  -5.559 -14.679  1.00 38.58      2SAM 471
ATOM    341  CD  LYS    45     -24.088  -6.960 -14.703  1.00 41.22      2SAM 472
ATOM    342  CE  LYS    45     -24.559  -7.581 -16.015  1.00 43.55      2SAM 473
ATOM    343  NZ  LYS    45     -23.586  -8.527 -16.536  1.00 45.35      2SAM 474
ATOM    344  N   ILE    46     -27.890  -5.485 -11.624  1.00 31.79      2SAM 475
ATOM    345  CA  ILE    46     -28.392  -4.915 -10.388  1.00 31.00      2SAM 476
ATOM    346  C   ILE    46     -27.246  -5.184  -9.420  1.00 32.08      2SAM 477
ATOM    347  O   ILE    46     -26.673  -6.278  -9.428  1.00 36.32      2SAM 478
ATOM    348  CB  ILE    46     -29.724  -5.579  -9.917  1.00 29.18      2SAM 479
ATOM    349  CG1 ILE    46     -29.686  -7.061 -10.136  1.00 30.44      2SAM 480
ATOM    350  CG2 ILE    46     -30.894  -4.907 -10.656  1.00 23.57      2SAM 481
ATOM    351  CD1 ILE    46     -31.055  -7.713 -10.462  1.00 37.44      2SAM 482
ATOM    352  N   VAL    47     -26.712  -4.196  -8.715  1.00 32.21      2SAM 483
ATOM    353  CA  VAL    47     -25.701  -4.524  -7.721  1.00 34.33      2SAM 484
ATOM    354  C   VAL    47     -26.243  -4.042  -6.399  1.00 30.20      2SAM 485
ATOM    355  O   VAL    47     -26.953  -3.023  -6.299  1.00 25.46      2SAM 486
ATOM    356  CB  VAL    47     -24.291  -3.864  -7.931  1.00 33.84      2SAM 487
ATOM    357  CG1 VAL    47     -23.648  -4.546  -9.127  1.00 37.08      2SAM 488
ATOM    358  CG2 VAL    47     -24.361  -2.388  -8.148  1.00 34.48      2SAM 489
ATOM    359  N   GLY    48     -25.910  -4.906  -5.448  1.00 27.03      2SAM 490
ATOM    360  CA  GLY    48     -26.269  -4.704  -4.068  1.00 30.82      2SAM 491
ATOM    361  C   GLY    48     -25.119  -4.078  -3.305  1.00 31.45      2SAM 492
ATOM    362  O   GLY    48     -23.937  -4.280  -3.621  1.00 28.53      2SAM 493
ATOM    363  N   GLY    49     -25.551  -3.328  -2.288  1.00 39.75      2SAM 494
ATOM    364  CA  GLY    49     -24.721  -2.644  -1.290  1.00 38.93      2SAM 495
ATOM    365  C   GLY    49     -25.475  -2.664   0.052  1.00 39.69      2SAM 496
ATOM    366  O   GLY    49     -26.428  -3.426   0.236  1.00 33.78      2SAM 497
ATOM    367  N   ILE    50     -25.094  -1.810   1.006  1.00 41.82      2SAM 498
ATOM    368  CA  ILE    50     -25.710  -1.714   2.338  1.00 39.35      2SAM 499
ATOM    369  C   ILE    50     -27.219  -1.577   2.402  1.00 40.12      2SAM 500
ATOM    370  O   ILE    50     -27.888  -2.428   2.992  1.00 43.75      2SAM 501
ATOM    371  CB  ILE    50     -25.016  -0.516   3.124  1.00 40.89      2SAM 502
ATOM    372  CG1 ILE    50     -23.645  -1.015   3.575  1.00 37.27      2SAM 503
ATOM    373  CG2 ILE    50     -25.828   0.003   4.332  1.00 40.15      2SAM 504
ATOM    374  CD1 ILE    50     -23.709  -2.333   4.368  1.00 33.28      2SAM 505
ATOM    375  N   GLY    51     -27.799  -0.528   1.832  1.00 37.66      2SAM 506
ATOM    376  CA  GLY    51     -29.234  -0.369   1.994  1.00 38.30      2SAM 507
ATOM    377  C   GLY    51     -30.089  -1.245   1.078  1.00 39.56      2SAM 508
ATOM    378  O   GLY    51     -31.312  -1.107   1.103  1.00 40.87      2SAM 509
ATOM    379  N   GLY    52     -29.529  -2.143   0.260  1.00 39.58      2SAM 510
ATOM    380  CA  GLY    52     -30.283  -2.856  -0.751  1.00 34.32      2SAM 511
ATOM    381  C   GLY    52     -29.509  -2.843  -2.080  1.00 36.17      2SAM 512
ATOM    382  O   GLY    52     -28.282  -2.667  -2.149  1.00 33.64      2SAM 513
ATOM    383  N   PHE    53     -30.247  -2.997  -3.173  1.00 33.53      2SAM 514
ATOM    384  CA  PHE    53     -29.664  -3.097  -4.500  1.00 30.85      2SAM 515
ATOM    385  C   PHE    53     -30.145  -1.965  -5.398  1.00 30.34      2SAM 516
ATOM    386  O   PHE    53     -31.181  -1.350  -5.123  1.00 27.17      2SAM 517
ATOM    387  CB  PHE    53     -30.027  -4.460  -5.153  1.00 22.14      2SAM 518
ATOM    388  CG  PHE    53     -31.514  -4.755  -5.236  1.00 16.01      2SAM 519
ATOM    389  CD1 PHE    53     -32.307  -4.157  -6.176  1.00 21.50      2SAM 520
ATOM    390  CD2 PHE    53     -32.084  -5.603  -4.329  1.00 21.00      2SAM 521
ATOM    391  CE1 PHE    53     -33.661  -4.394  -6.207  1.00 22.84      2SAM 522
ATOM    392  CE2 PHE    53     -33.439  -5.840  -4.359  1.00 22.62      2SAM 523
ATOM    393  CZ  PHE    53     -34.235  -5.236  -5.296  1.00 21.96      2SAM 524
ATOM    394  N   ILE    54     -29.399  -1.770  -6.490  1.00 30.55      2SAM 525
ATOM    395  CA  ILE    54     -29.705  -0.820  -7.549  1.00 30.10      2SAM 526
ATOM    396  C   ILE    54     -29.524  -1.439  -8.935  1.00 30.45      2SAM 527
ATOM    397  O   ILE    54     -28.692  -2.331  -9.131  1.00 24.66      2SAM 528
ATOM    398  CB  ILE    54     -28.796   0.431  -7.521  1.00 27.12      2SAM 529
ATOM    399  CG1 ILE    54     -27.332   0.047  -7.324  1.00 17.53      2SAM 530
ATOM    400  CG2 ILE    54     -29.418   1.409  -6.492  1.00 29.17      2SAM 531
ATOM    401  CD1 ILE    54     -26.645   1.344  -7.703  1.00 12.74      2SAM 532
ATOM    402  N   ASN    55     -30.285  -0.890  -9.882  1.00 29.08      2SAM 533
ATOM    403  CA  ASN    55     -30.219  -1.214 -11.304  1.00 27.73      2SAM 534
ATOM    404  C   ASN    55     -29.020  -0.567 -11.929  1.00 22.73      2SAM 535
ATOM    405  O   ASN    55     -28.856   0.621 -11.671  1.00 28.17      2SAM 536
ATOM    406  CB  ASN    55     -31.397  -0.675 -12.038  1.00 34.50      2SAM 537
ATOM    407  CG  ASN    55     -32.648  -1.208 -11.412  1.00 41.57      2SAM 538
ATOM    408  OD1 ASN    55     -32.705  -2.363 -10.996  1.00 46.58      2SAM 539
ATOM    409  ND2 ASN    55     -33.679  -0.384 -11.265  1.00 48.00      2SAM 540
ATOM    410  N   THR    56     -28.162  -1.195 -12.710  1.00 23.04      2SAM 541
ATOM    411  CA  THR    56     -27.085  -0.478 -13.385  1.00 27.82      2SAM 542
ATOM    412  C   THR    56     -27.027  -0.816 -14.877  1.00 23.06      2SAM 543
ATOM    413  O   THR    56     -27.697  -1.718 -15.386  1.00 22.39      2SAM 544
ATOM    414  CB  THR    56     -25.712  -0.791 -12.755  1.00 26.71      2SAM 545
ATOM    415  OG1 THR    56     -25.422  -2.181 -12.887  1.00 21.80      2SAM 546
ATOM    416  CG2 THR    56     -25.715  -0.304 -11.307  1.00 29.29      2SAM 547
ATOM    417  N   LYS    57     -26.235  -0.049 -15.592  1.00 22.22      2SAM 548
ATOM    418  CA  LYS    57     -25.982  -0.257 -16.998  1.00 16.28      2SAM 549
ATOM    419  C   LYS    57     -24.536  -0.649 -17.106  1.00 10.82      2SAM 550
ATOM    420  O   LYS    57     -23.704   0.207 -16.858  1.00  7.65      2SAM 551
ATOM    421  CB  LYS    57     -26.187   1.018 -17.754  1.00 18.52      2SAM 552
ATOM    422  CG  LYS    57     -27.653   1.361 -17.902  1.00 22.06      2SAM 553
ATOM    423  CD  LYS    57     -27.708   2.711 -18.548  1.00 22.03      2SAM 554
ATOM    424  CE  LYS    57     -29.175   2.962 -18.637  1.00 31.70      2SAM 555
ATOM    425  NZ  LYS    57     -29.396   4.301 -19.145  1.00 43.03      2SAM 556
ATOM    426  N   GLU    58     -24.190  -1.884 -17.453  1.00 13.48      2SAM 557
ATOM    427  CA  GLU    58     -22.810  -2.267 -17.600  1.00 15.37      2SAM 558
ATOM    428  C   GLU    58     -22.285  -1.980 -19.018  1.00 19.46      2SAM 559
ATOM    429  O   GLU    58     -22.851  -2.452 -20.007  1.00 24.35      2SAM 560
ATOM    430  CB  GLU    58     -22.728  -3.717 -17.261  1.00 15.09      2SAM 561
ATOM    431  CG  GLU    58     -21.248  -4.067 -17.232  1.00 19.15      2SAM 562
ATOM    432  CD  GLU    58     -21.039  -5.551 -17.434  1.00 26.59      2SAM 563
ATOM    433  OE1 GLU    58     -21.396  -6.102 -18.483  1.00 34.41      2SAM 564
ATOM    434  OE2 GLU    58     -20.528  -6.166 -16.513  1.00 35.19      2SAM 565
ATOM    435  N   TYR    59     -21.164  -1.271 -19.113  1.00 18.06      2SAM 566
ATOM    436  CA  TYR    59     -20.607  -0.790 -20.348  1.00 15.51      2SAM 567
ATOM    437  C   TYR    59     -19.281  -1.452 -20.415  1.00 17.93      2SAM 568
ATOM    438  O   TYR    59     -18.617  -1.334 -19.389  1.00 20.67      2SAM 569
ATOM    439  CB  TYR    59     -20.388   0.714 -20.303  1.00 17.99      2SAM 570
ATOM    440  CG  TYR    59     -21.682   1.487 -20.461  1.00 19.90      2SAM 571
ATOM    441  CD1 TYR    59     -22.275   1.545 -21.719  1.00 19.55      2SAM 572
ATOM    442  CD2 TYR    59     -22.292   2.060 -19.366  1.00 13.57      2SAM 573
ATOM    443  CE1 TYR    59     -23.494   2.169 -21.890  1.00 18.32      2SAM 574
ATOM    444  CE2 TYR    59     -23.511   2.673 -19.537  1.00 15.57      2SAM 575
ATOM    445  CZ  TYR    59     -24.102   2.720 -20.793  1.00 18.68      2SAM 576
ATOM    446  OH  TYR    59     -25.344   3.301 -20.949  1.00 22.30      2SAM 577
ATOM    447  N   LYS    60     -18.798  -2.124 -21.486  1.00 19.61      2SAM 578
ATOM    448  CA  LYS    60     -17.477  -2.732 -21.399  1.00 17.17      2SAM 579
ATOM    449  C   LYS    60     -16.461  -1.929 -22.137  1.00 15.96      2SAM 580
ATOM    450  O   LYS    60     -16.816  -1.066 -22.925  1.00 22.78      2SAM 581
ATOM    451  CB  LYS    60     -17.407  -4.139 -21.963  1.00 20.49      2SAM 582
ATOM    452  CG  LYS    60     -18.264  -5.187 -21.270  1.00 22.11      2SAM 583
ATOM    453  CD  LYS    60     -17.565  -6.537 -21.385  1.00 28.52      2SAM 584
ATOM    454  CE  LYS    60     -18.421  -7.690 -20.883  1.00 28.83      2SAM 585
ATOM    455  NZ  LYS    60     -19.607  -7.804 -21.717  1.00 32.21      2SAM 586
ATOM    456  N   ASN    61     -15.204  -2.207 -21.843  1.00 20.57      2SAM 587
ATOM    457  CA  ASN    61     -14.062  -1.502 -22.417  1.00 26.32      2SAM 588
ATOM    458  C   ASN    61     -14.162   0.017 -22.597  1.00 26.84      2SAM 589
ATOM    459  O   ASN    61     -13.802   0.582 -23.624  1.00 31.37      2SAM 590
ATOM    460  CB  ASN    61     -13.677  -2.158 -23.779  1.00 30.75      2SAM 591
ATOM    461  CG  ASN    61     -13.068  -3.572 -23.689  1.00 33.32      2SAM 592
ATOM    462  OD1 ASN    61     -13.742  -4.602 -23.852  1.00 30.30      2SAM 593
ATOM    463  ND2 ASN    61     -11.765  -3.688 -23.409  1.00 29.22      2SAM 594
ATOM    464  N   VAL    62     -14.581   0.732 -21.545  1.00 29.31      2SAM 595
ATOM    465  CA  VAL    62     -14.665   2.197 -21.513  1.00 17.59      2SAM 596
ATOM    466  C   VAL    62     -13.269   2.748 -21.331  1.00 17.66      2SAM 597
ATOM    467  O   VAL    62     -12.403   2.070 -20.762  1.00 19.85      2SAM 598
ATOM    468  CB  VAL    62     -15.570   2.558 -20.363  1.00 13.88      2SAM 599
ATOM    469  CG1 VAL    62     -15.635   4.052 -20.117  1.00 10.21      2SAM 600
ATOM    470  CG2 VAL    62     -16.948   2.058 -20.746  1.00 11.76      2SAM 601
ATOM    471  N   GLU    63     -13.044   3.980 -21.751  1.00 20.02      2SAM 602
ATOM    472  CA  GLU    63     -11.720   4.576 -21.699  1.00 26.00      2SAM 603
ATOM    473  C   GLU    63     -11.624   5.504 -20.490  1.00 25.10      2SAM 604
ATOM    474  O   GLU    63     -12.471   6.407 -20.355  1.00 16.97      2SAM 605
ATOM    475  CB  GLU    63     -11.492   5.350 -22.972  1.00 32.86      2SAM 606
ATOM    476  CG  GLU    63     -10.003   5.603 -23.096  1.00 51.15      2SAM 607
ATOM    477  CD  GLU    63      -9.546   6.440 -24.283  1.00 59.74      2SAM 608
ATOM    478  OE1 GLU    63     -10.362   6.832 -25.125  1.00 65.84      2SAM 609
ATOM    479  OE2 GLU    63      -8.343   6.702 -24.352  1.00 65.65      2SAM 610
ATOM    480  N   ILE    64     -10.566   5.304 -19.681  1.00 20.93      2SAM 611
ATOM    481  CA  ILE    64     -10.437   5.926 -18.374  1.00 17.25      2SAM 612
ATOM    482  C   ILE    64      -9.010   6.417 -18.206  1.00 22.78      2SAM 613
ATOM    483  O   ILE    64      -8.018   5.706 -18.397  1.00 21.28      2SAM 614
ATOM    484  CB  ILE    64     -10.753   4.902 -17.232  1.00 17.43      2SAM 615
ATOM    485  CG1 ILE    64     -12.174   4.364 -17.266  1.00 15.54      2SAM 616
ATOM    486  CG2 ILE    64     -10.574   5.619 -15.917  1.00 16.75      2SAM 617
ATOM    487  CD1 ILE    64     -12.277   2.894 -16.843  1.00 10.60      2SAM 618
ATOM    488  N   GLU    65      -8.914   7.675 -17.810  1.00 22.05      2SAM 619
ATOM    489  CA  GLU    65      -7.630   8.285 -17.559  1.00 23.95      2SAM 620
ATOM    490  C   GLU    65      -7.665   8.639 -16.074  1.00 23.73      2SAM 621
ATOM    491  O   GLU    65      -8.589   9.352 -15.635  1.00 23.86      2SAM 622
ATOM    492  CB  GLU    65      -7.539   9.503 -18.423  1.00 24.65      2SAM 623
ATOM    493  CG  GLU    65      -6.339  10.336 -18.042  1.00 34.10      2SAM 624
ATOM    494  CD  GLU    65      -6.317  11.724 -18.648  1.00 40.48      2SAM 625
ATOM    495  OE1 GLU    65      -7.366  12.384 -18.760  1.00 40.94      2SAM 626
ATOM    496  OE2 GLU    65      -5.204  12.132 -18.991  1.00 45.97      2SAM 627
ATOM    497  N   VAL    66      -6.699   8.191 -15.294  1.00 23.59      2SAM 628
ATOM    498  CA  VAL    66      -6.681   8.372 -13.839  1.00 23.83      2SAM 629
ATOM    499  C   VAL    66      -5.253   8.118 -13.394  1.00 22.77      2SAM 630
ATOM    500  O   VAL    66      -4.576   7.264 -13.942  1.00 26.16      2SAM 631
ATOM    501  CB  VAL    66      -7.685   7.356 -13.175  1.00 22.89      2SAM 632
ATOM    502  CG1 VAL    66      -7.258   5.916 -13.425  1.00 22.42      2SAM 633
ATOM    503  CG2 VAL    66      -7.783   7.631 -11.709  1.00 17.62      2SAM 634
ATOM    504  N   LEU    67      -4.711   8.878 -12.466  1.00 26.11      2SAM 635
ATOM    505  CA  LEU    67      -3.350   8.697 -11.943  1.00 25.28      2SAM 636
ATOM    506  C   LEU    67      -2.220   8.557 -12.976  1.00 23.89      2SAM 637
ATOM    507  O   LEU    67      -1.241   7.820 -12.832  1.00 22.68      2SAM 638
ATOM    508  CB  LEU    67      -3.366   7.492 -10.974  1.00 23.53      2SAM 639
ATOM    509  CG  LEU    67      -4.279   7.585  -9.732  1.00 24.50      2SAM 640
ATOM    510  CD1 LEU    67      -4.424   6.190  -9.188  1.00 23.21      2SAM 641
ATOM    511  CD2 LEU    67      -3.729   8.538  -8.658  1.00 27.05      2SAM 642
ATOM    512  N   GLY    68      -2.360   9.390 -14.014  1.00 24.85      2SAM 643
ATOM    513  CA  GLY    68      -1.438   9.406 -15.140  1.00 29.39      2SAM 644
ATOM    514  C   GLY    68      -1.470   8.103 -15.954  1.00 34.61      2SAM 645
ATOM    515  O   GLY    68      -0.412   7.647 -16.407  1.00 38.36      2SAM 646
ATOM    516  N   LYS    69      -2.610   7.407 -16.100  1.00 31.66      2SAM 647
ATOM    517  CA  LYS    69      -2.648   6.241 -16.944  1.00 31.36      2SAM 648
ATOM    518  C   LYS    69      -4.005   6.192 -17.542  1.00 28.44      2SAM 649
ATOM    519  O   LYS    69      -4.950   6.813 -17.061  1.00 26.46      2SAM 650
ATOM    520  CB  LYS    69      -2.398   4.946 -16.198  1.00 38.90      2SAM 651
ATOM    521  CG  LYS    69      -3.099   4.665 -14.867  1.00 46.86      2SAM 652
ATOM    522  CD  LYS    69      -2.089   4.556 -13.716  1.00 48.74      2SAM 653
ATOM    523  CE  LYS    69      -1.053   3.473 -13.986  1.00 49.86      2SAM 654
ATOM    524  NZ  LYS    69      -0.108   3.399 -12.895  1.00 55.04      2SAM 655
ATOM    525  N   ARG    70      -3.979   5.557 -18.704  1.00 30.33      2SAM 656
ATOM    526  CA  ARG    70      -5.144   5.402 -19.553  1.00 26.09      2SAM 657
ATOM    527  C   ARG    70      -5.245   3.899 -19.623  1.00 23.60      2SAM 658
ATOM    528  O   ARG    70      -4.294   3.199 -19.979  1.00 21.55      2SAM 659
ATOM    529  CB  ARG    70      -4.893   5.980 -20.950  1.00 24.45      2SAM 660
ATOM    530  N   ILE    71      -6.375   3.440 -19.118  1.00 22.06      2SAM 661
ATOM    531  CA  ILE    71      -6.717   2.047 -19.012  1.00 23.06      2SAM 662
ATOM    532  C   ILE    71      -8.094   1.993 -19.665  1.00 22.98      2SAM 663
ATOM    533  O   ILE    71      -8.724   3.024 -19.958  1.00 23.12      2SAM 664
ATOM    534  CB  ILE    71      -6.836   1.514 -17.496  1.00 25.75      2SAM 665
ATOM    535  CG1 ILE    71      -7.732   2.425 -16.692  1.00 23.46      2SAM 666
ATOM    536  CG2 ILE    71      -5.466   1.459 -16.798  1.00 25.62      2SAM 667
ATOM    537  CD1 ILE    71      -8.433   1.663 -15.579  1.00 22.55      2SAM 668
ATOM    538  N   LYS    72      -8.525   0.767 -19.921  1.00 19.20      2SAM 669
ATOM    539  CA  LYS    72      -9.837   0.507 -20.443  1.00 24.28      2SAM 670
ATOM    540  C   LYS    72     -10.478  -0.462 -19.431  1.00 22.66      2SAM 671
ATOM    541  O   LYS    72      -9.741  -1.315 -18.900  1.00 22.32      2SAM 672
ATOM    542  CB  LYS    72      -9.704  -0.132 -21.828  1.00 24.00      2SAM 673
ATOM    543  N   GLY    73     -11.766  -0.382 -19.054  1.00 14.42      2SAM 674
ATOM    544  CA  GLY    73     -12.301  -1.394 -18.152  1.00  6.81      2SAM 675
ATOM    545  C   GLY    73     -13.813  -1.328 -18.175  1.00 10.35      2SAM 676
ATOM    546  O   GLY    73     -14.408  -0.568 -18.954  1.00  8.73      2SAM 677
ATOM    547  N   THR    74     -14.477  -2.175 -17.406  1.00 10.51      2SAM 678
ATOM    548  CA  THR    74     -15.919  -2.130 -17.321  1.00 14.33      2SAM 679
ATOM    549  C   THR    74     -16.318  -1.046 -16.303  1.00 21.04      2SAM 680
ATOM    550  O   THR    74     -15.714  -0.962 -15.221  1.00 19.74      2SAM 681
ATOM    551  CB  THR    74     -16.340  -3.503 -16.890  1.00 15.93      2SAM 682
ATOM    552  OG1 THR    74     -15.658  -4.421 -17.722  1.00 18.28      2SAM 683
ATOM    553  CG2 THR    74     -17.803  -3.739 -17.028  1.00 13.18      2SAM 684
ATOM    554  N   ILE    75     -17.312  -0.207 -16.634  1.00 20.41      2SAM 685
ATOM    555  CA  ILE    75     -17.853   0.806 -15.748  1.00 18.12      2SAM 686
ATOM    556  C   ILE    75     -19.352   0.540 -15.780  1.00 18.89      2SAM 687
ATOM    557  O   ILE    75     -19.879   0.078 -16.795  1.00 21.09      2SAM 688
ATOM    558  CB  ILE    75     -17.575   2.237 -16.277  1.00 19.72      2SAM 689
ATOM    559  CG1 ILE    75     -16.102   2.595 -16.197  1.00 24.19      2SAM 690
ATOM    560  CG2 ILE    75     -18.355   3.239 -15.443  1.00 21.85      2SAM 691
ATOM    561  CD1 ILE    75     -15.559   3.062 -14.836  1.00 26.14      2SAM 692
ATOM    562  N   MET    76     -20.081   0.769 -14.688  1.00 18.72      2SAM 693
ATOM    563  CA  MET    76     -21.539   0.680 -14.708  1.00 11.50      2SAM 694
ATOM    564  C   MET    76     -21.972   2.091 -14.395  1.00 15.21      2SAM 695
ATOM    565  O   MET    76     -21.190   2.894 -13.862  1.00 12.86      2SAM 696
ATOM    566  CB  MET    76     -22.142  -0.184 -13.630  1.00 18.04      2SAM 697
ATOM    567  CG  MET    76     -21.543  -1.551 -13.658  1.00 24.99      2SAM 698
ATOM    568  SD  MET    76     -22.420  -2.602 -12.507  1.00 33.73      2SAM 699
ATOM    569  CE  MET    76     -21.637  -4.155 -12.835  1.00 22.12      2SAM 700
ATOM    570  N   THR    77     -23.146   2.480 -14.838  1.00 11.54      2SAM 701
ATOM    571  CA  THR    77     -23.664   3.748 -14.421  1.00 17.74      2SAM 702
ATOM    572  C   THR    77     -25.008   3.349 -13.767  1.00 22.22      2SAM 703
ATOM    573  O   THR    77     -25.645   2.316 -14.095  1.00 18.04      2SAM 704
ATOM    574  CB  THR    77     -23.894   4.748 -15.624  1.00 17.34      2SAM 705
ATOM    575  OG1 THR    77     -24.900   4.212 -16.478  1.00 20.05      2SAM 706
ATOM    576  CG2 THR    77     -22.614   5.034 -16.366  1.00 10.40      2SAM 707
ATOM    577  N   GLY    78     -25.407   4.149 -12.792  1.00 19.29      2SAM 708
ATOM    578  CA  GLY    78     -26.640   3.922 -12.083  1.00 27.73      2SAM 709
ATOM    579  C   GLY    78     -26.656   4.916 -10.951  1.00 30.15      2SAM 710
ATOM    580  O   GLY    78     -25.673   5.618 -10.691  1.00 31.69      2SAM 711
ATOM    581  N   ASP    79     -27.771   4.937 -10.244  1.00 33.10      2SAM 712
ATOM    582  CA  ASP    79     -28.069   5.927  -9.220  1.00 35.35      2SAM 713
ATOM    583  C   ASP    79     -27.360   5.702  -7.896  1.00 31.75      2SAM 714
ATOM    584  O   ASP    79     -27.954   5.397  -6.874  1.00 31.58      2SAM 715
ATOM    585  CB  ASP    79     -29.588   5.907  -9.103  1.00 46.93      2SAM 716
ATOM    586  CG  ASP    79     -30.268   6.913  -8.189  1.00 57.29      2SAM 717
ATOM    587  OD1 ASP    79     -29.798   8.062  -8.089  1.00 62.91      2SAM 718
ATOM    588  OD2 ASP    79     -31.285   6.515  -7.595  1.00 63.00      2SAM 719
ATOM    589  N   THR    80     -26.054   5.788  -7.943  1.00 24.07      2SAM 720
ATOM    590  CA  THR    80     -25.235   5.598  -6.792  1.00 23.21      2SAM 721
ATOM    591  C   THR    80     -25.243   7.006  -6.216  1.00 32.07      2SAM 722
ATOM    592  O   THR    80     -25.377   7.990  -6.954  1.00 33.85      2SAM 723
ATOM    593  CB  THR    80     -23.845   5.121  -7.258  1.00 19.86      2SAM 724
ATOM    594  OG1 THR    80     -23.092   4.939  -6.097  1.00 18.75      2SAM 725
ATOM    595  CG2 THR    80     -23.107   6.093  -8.124  1.00 18.49      2SAM 726
ATOM    596  N   PRO    81     -25.210   7.144  -4.890  1.00 36.85      2SAM 727
ATOM    597  CA  PRO    81     -24.957   8.399  -4.210  1.00 31.37      2SAM 728
ATOM    598  C   PRO    81     -23.497   8.765  -4.263  1.00 30.69      2SAM 729
ATOM    599  O   PRO    81     -23.194   9.954  -4.095  1.00 33.88      2SAM 730
ATOM    600  CB  PRO    81     -25.468   8.165  -2.823  1.00 36.43      2SAM 731
ATOM    601  CG  PRO    81     -25.231   6.688  -2.612  1.00 39.60      2SAM 732
ATOM    602  CD  PRO    81     -25.666   6.126  -3.945  1.00 38.63      2SAM 733
ATOM    603  N   ILE    82     -22.574   7.791  -4.431  1.00 27.60      2SAM 734
ATOM    604  CA  ILE    82     -21.158   8.125  -4.587  1.00 26.17      2SAM 735
ATOM    605  C   ILE    82     -20.521   7.300  -5.711  1.00 23.26      2SAM 736
ATOM    606  O   ILE    82     -20.767   6.113  -5.911  1.00 28.07      2SAM 737
ATOM    607  CB  ILE    82     -20.330   7.877  -3.305  1.00 29.63      2SAM 738
ATOM    608  CG1 ILE    82     -20.941   8.557  -2.103  1.00 36.41      2SAM 739
ATOM    609  CG2 ILE    82     -18.967   8.547  -3.468  1.00 31.37      2SAM 740
ATOM    610  CD1 ILE    82     -20.000   8.575  -0.900  1.00 43.36      2SAM 741
ATOM    611  N   ASN    83     -19.648   7.924  -6.465  1.00 14.82      2SAM 742
ATOM    612  CA  ASN    83     -19.015   7.278  -7.553  1.00 12.14      2SAM 743
ATOM    613  C   ASN    83     -17.882   6.472  -6.992  1.00 10.21      2SAM 744
ATOM    614  O   ASN    83     -17.006   7.044  -6.323  1.00  7.97      2SAM 745
ATOM    615  CB  ASN    83     -18.419   8.277  -8.527  1.00 20.37      2SAM 746
ATOM    616  CG  ASN    83     -19.369   9.283  -9.129  1.00 19.29      2SAM 747
ATOM    617  OD1 ASN    83     -20.553   9.044  -9.351  1.00 18.46      2SAM 748
ATOM    618  ND2 ASN    83     -18.846  10.452  -9.400  1.00 19.64      2SAM 749
ATOM    619  N   ILE    84     -17.823   5.175  -7.249  1.00 13.40      2SAM 750
ATOM    620  CA  ILE    84     -16.651   4.433  -6.838  1.00 18.84      2SAM 751
ATOM    621  C   ILE    84     -15.925   3.654  -7.942  1.00 15.13      2SAM 752
ATOM    622  O   ILE    84     -16.550   3.198  -8.905  1.00 17.14      2SAM 753
ATOM    623  CB  ILE    84     -17.019   3.436  -5.692  1.00 24.16      2SAM 754
ATOM    624  CG1 ILE    84     -17.938   2.294  -6.120  1.00 21.82      2SAM 755
ATOM    625  CG2 ILE    84     -17.726   4.266  -4.606  1.00 30.09      2SAM 756
ATOM    626  CD1 ILE    84     -19.414   2.685  -6.311  1.00 26.20      2SAM 757
ATOM    627  N   PHE    85     -14.602   3.515  -7.814  1.00  8.25      2SAM 758
ATOM    628  CA  PHE    85     -13.796   2.612  -8.612  1.00 13.36      2SAM 759
ATOM    629  C   PHE    85     -13.563   1.368  -7.750  1.00 17.42      2SAM 760
ATOM    630  O   PHE    85     -12.837   1.434  -6.759  1.00 17.87      2SAM 761
ATOM    631  CB  PHE    85     -12.405   3.196  -9.008  1.00  8.56      2SAM 762
ATOM    632  CG  PHE    85     -12.490   4.116 -10.225  1.00 10.33      2SAM 763
ATOM    633  CD1 PHE    85     -13.726   4.539 -10.743  1.00  9.56      2SAM 764
ATOM    634  CD2 PHE    85     -11.329   4.562 -10.811  1.00 11.60      2SAM 765
ATOM    635  CE1 PHE    85     -13.808   5.395 -11.821  1.00 10.71      2SAM 766
ATOM    636  CE2 PHE    85     -11.419   5.425 -11.903  1.00 14.40      2SAM 767
ATOM    637  CZ  PHE    85     -12.638   5.840 -12.400  1.00  9.29      2SAM 768
ATOM    638  N   GLY    86     -14.203   0.255  -8.104  1.00 16.13      2SAM 769
ATOM    639  CA  GLY    86     -14.080  -0.995  -7.420  1.00  7.49      2SAM 770
ATOM    640  C   GLY    86     -12.744  -1.615  -7.748  1.00 12.09      2SAM 771
ATOM    641  O   GLY    86     -11.870  -1.036  -8.410  1.00 12.89      2SAM 772
ATOM    642  N   ARG    87     -12.601  -2.857  -7.287  1.00 14.73      2SAM 773
ATOM    643  CA  ARG    87     -11.397  -3.657  -7.442  1.00 19.26      2SAM 774
ATOM    644  C   ARG    87     -11.110  -4.029  -8.888  1.00 19.09      2SAM 775
ATOM    645  O   ARG    87      -9.962  -4.297  -9.231  1.00 15.05      2SAM 776
ATOM    646  CB  ARG    87     -11.506  -4.947  -6.632  1.00 19.85      2SAM 777
ATOM    647  CG  ARG    87     -11.291  -4.908  -5.110  1.00 15.99      2SAM 778
ATOM    648  CD  ARG    87     -11.096  -6.340  -4.549  1.00  6.37      2SAM 779
ATOM    649  NE  ARG    87     -12.289  -7.099  -4.854  1.00 13.70      2SAM 780
ATOM    650  CZ  ARG    87     -12.326  -8.192  -5.636  1.00 10.77      2SAM 781
ATOM    651  NH1 ARG    87     -11.239  -8.740  -6.174  1.00 13.87      2SAM 782
ATOM    652  NH2 ARG    87     -13.496  -8.773  -5.837  1.00  5.98      2SAM 783
ATOM    653  N   ASN    88     -12.145  -4.006  -9.738  1.00 22.27      2SAM 784
ATOM    654  CA  ASN    88     -11.989  -4.305 -11.161  1.00 20.43      2SAM 785
ATOM    655  C   ASN    88     -11.056  -3.272 -11.696  1.00 19.30      2SAM 786
ATOM    656  O   ASN    88     -10.056  -3.681 -12.275  1.00 15.81      2SAM 787
ATOM    657  CB  ASN    88     -13.329  -4.265 -11.918  1.00 17.17      2SAM 788
ATOM    658  CG  ASN    88     -14.088  -2.964 -11.979  1.00 20.30      2SAM 789
ATOM    659  OD1 ASN    88     -14.231  -2.269 -10.977  1.00 16.05      2SAM 790
ATOM    660  ND2 ASN    88     -14.584  -2.599 -13.149  1.00 18.96      2SAM 791
ATOM    661  N   LEU    89     -11.264  -1.981 -11.398  1.00 15.83      2SAM 792
ATOM    662  CA  LEU    89     -10.277  -0.995 -11.812  1.00 14.81      2SAM 793
ATOM    663  C   LEU    89      -9.020  -0.845 -10.945  1.00 15.37      2SAM 794
ATOM    664  O   LEU    89      -7.900  -0.708 -11.471  1.00 17.44      2SAM 795
ATOM    665  CB  LEU    89     -10.957   0.390 -11.967  1.00 17.92      2SAM 796
ATOM    666  CG  LEU    89     -12.126   0.542 -12.973  1.00 21.70      2SAM 797
ATOM    667  CD1 LEU    89     -12.294   1.991 -13.229  1.00 19.94      2SAM 798
ATOM    668  CD2 LEU    89     -11.863  -0.132 -14.336  1.00 17.17      2SAM 799
ATOM    669  N   LEU    90      -9.079  -0.888  -9.612  1.00 15.74      2SAM 800
ATOM    670  CA  LEU    90      -7.900  -0.720  -8.767  1.00  7.75      2SAM 801
ATOM    671  C   LEU    90      -6.814  -1.683  -9.125  1.00  8.62      2SAM 802
ATOM    672  O   LEU    90      -5.644  -1.361  -8.964  1.00 12.21      2SAM 803
ATOM    673  CB  LEU    90      -8.224  -0.928  -7.284  1.00 12.58      2SAM 804
ATOM    674  CG  LEU    90      -9.297  -0.119  -6.590  1.00 11.99      2SAM 805
ATOM    675  CD1 LEU    90      -9.064  -0.217  -5.110  1.00 13.63      2SAM 806
ATOM    676  CD2 LEU    90      -9.220   1.340  -6.933  1.00 12.15      2SAM 807
ATOM    677  N   THR    91      -7.165  -2.879  -9.601  1.00 16.45      2SAM 808
ATOM    678  CA  THR    91      -6.171  -3.847 -10.066  1.00 21.10      2SAM 809
ATOM    679  C   THR    91      -5.530  -3.431 -11.386  1.00 16.36      2SAM 810
ATOM    680  O   THR    91      -4.337  -3.619 -11.613  1.00 18.84      2SAM 811
ATOM    681  CB  THR    91      -6.821  -5.204 -10.238  1.00 20.60      2SAM 812
ATOM    682  OG1 THR    91      -7.890  -4.923 -11.139  1.00 24.03      2SAM 813
ATOM    683  CG2 THR    91      -7.242  -5.888  -8.900  1.00 19.82      2SAM 814
ATOM    684  N   ALA    92      -6.329  -2.824 -12.249  1.00 19.37      2SAM 815
ATOM    685  CA  ALA    92      -5.831  -2.283 -13.502  1.00 18.27      2SAM 816
ATOM    686  C   ALA    92      -4.833  -1.227 -13.153  1.00 19.25      2SAM 817
ATOM    687  O   ALA    92      -3.895  -1.089 -13.920  1.00 30.67      2SAM 818
ATOM    688  CB  ALA    92      -6.915  -1.607 -14.328  1.00 14.70      2SAM 819
ATOM    689  N   LEU    93      -4.972  -0.499 -12.030  1.00 20.51      2SAM 820
ATOM    690  CA  LEU    93      -4.021   0.545 -11.651  1.00 13.26      2SAM 821
ATOM    691  C   LEU    93      -2.873   0.096 -10.774  1.00 14.31      2SAM 822
ATOM    692  O   LEU    93      -2.026   0.905 -10.379  1.00 18.60      2SAM 823
ATOM    693  CB  LEU    93      -4.739   1.665 -10.950  1.00 10.69      2SAM 824
ATOM    694  CG  LEU    93      -5.979   2.162 -11.704  1.00 15.81      2SAM 825
ATOM    695  CD1 LEU    93      -6.798   3.175 -10.883  1.00 13.89      2SAM 826
ATOM    696  CD2 LEU    93      -5.493   2.797 -12.984  1.00 18.28      2SAM 827
ATOM    697  N   GLY    94      -2.760  -1.189 -10.459  1.00 18.17      2SAM 828
ATOM    698  CA  GLY    94      -1.641  -1.670  -9.636  1.00 18.13      2SAM 829
ATOM    699  C   GLY    94      -1.731  -1.213  -8.176  1.00 22.19      2SAM 830
ATOM    700  O   GLY    94      -0.722  -0.960  -7.507  1.00 23.73      2SAM 831
ATOM    701  N   MET    95      -2.943  -1.086  -7.644  1.00 18.83      2SAM 832
ATOM    702  CA  MET    95      -3.069  -0.674  -6.265  1.00 23.43      2SAM 833
ATOM    703  C   MET    95      -3.102  -1.840  -5.308  1.00 24.38      2SAM 834
ATOM    704  O   MET    95      -3.747  -2.861  -5.577  1.00 25.82      2SAM 835
ATOM    705  CB  MET    95      -4.323   0.138  -6.068  1.00 26.92      2SAM 836
ATOM    706  CG  MET    95      -4.211   1.320  -6.973  1.00 26.32      2SAM 837
ATOM    707  SD  MET    95      -5.132   2.759  -6.443  1.00 33.14      2SAM 838
ATOM    708  CE  MET    95      -3.663   3.751  -6.353  1.00 27.85      2SAM 839
ATOM    709  N   SER    96      -2.342  -1.709  -4.221  1.00 24.60      2SAM 840
ATOM    710  CA  SER    96      -2.423  -2.666  -3.135  1.00 21.45      2SAM 841
ATOM    711  C   SER    96      -2.732  -1.938  -1.815  1.00 21.74      2SAM 842
ATOM    712  O   SER    96      -2.644  -0.711  -1.659  1.00 18.05      2SAM 843
ATOM    713  CB  SER    96      -1.122  -3.440  -3.054  1.00 11.74      2SAM 844
ATOM    714  OG  SER    96       0.011  -2.602  -3.115  1.00 18.45      2SAM 845
ATOM    715  N   LEU    97      -3.298  -2.725  -0.914  1.00 20.49      2SAM 846
ATOM    716  CA  LEU    97      -3.596  -2.291   0.422  1.00 25.27      2SAM 847
ATOM    717  C   LEU    97      -2.348  -2.757   1.185  1.00 27.46      2SAM 848
ATOM    718  O   LEU    97      -1.988  -3.938   1.178  1.00 32.39      2SAM 849
ATOM    719  CB  LEU    97      -4.852  -2.996   0.829  1.00 22.12      2SAM 850
ATOM    720  CG  LEU    97      -5.630  -2.504   2.022  1.00 21.74      2SAM 851
ATOM    721  CD1 LEU    97      -5.887  -1.016   1.877  1.00 19.50      2SAM 852
ATOM    722  CD2 LEU    97      -6.970  -3.269   2.117  1.00 20.81      2SAM 853
ATOM    723  N   ASN    98      -1.638  -1.822   1.801  1.00 27.72      2SAM 854
ATOM    724  CA  ASN    98      -0.398  -2.108   2.484  1.00 27.57      2SAM 855
ATOM    725  C   ASN    98      -0.420  -1.738   3.957  1.00 28.96      2SAM 856
ATOM    726  O   ASN    98      -1.070  -0.773   4.367  1.00 29.05      2SAM 857
ATOM    727  CB  ASN    98       0.728  -1.358   1.778  1.00 34.08      2SAM 858
ATOM    728  CG  ASN    98       1.224  -2.096   0.537  1.00 34.48      2SAM 859
ATOM    729  OD1 ASN    98       0.464  -2.602  -0.290  1.00 38.54      2SAM 860
ATOM    730  ND2 ASN    98       2.529  -2.248   0.360  1.00 35.35      2SAM 861
ATOM    731  N   PHE    99       0.279  -2.530   4.755  1.00 27.08      2SAM 862
ATOM    732  CA  PHE    99       0.410  -2.344   6.181  1.00 31.77      2SAM 863
ATOM    733  C   PHE    99       1.765  -2.944   6.586  1.00 37.66      2SAM 864
ATOM    734  O   PHE    99       2.580  -3.321   5.726  1.00 47.35      2SAM 865
ATOM    735  CB  PHE    99      -0.748  -3.041   6.926  1.00 23.15      2SAM 866
ATOM    736  CG  PHE    99      -0.790  -4.543   6.783  1.00 22.47      2SAM 867
ATOM    737  CD1 PHE    99      -1.405  -5.112   5.691  1.00 24.26      2SAM 868
ATOM    738  CD2 PHE    99      -0.221  -5.335   7.743  1.00 23.80      2SAM 869
ATOM    739  CE1 PHE    99      -1.453  -6.478   5.564  1.00 24.89      2SAM 870
ATOM    740  CE2 PHE    99      -0.271  -6.705   7.606  1.00 28.51      2SAM 871
ATOM    741  CZ  PHE    99      -0.888  -7.282   6.519  1.00 25.77      2SAM 872
ATOM    742  OXT PHE    99       2.027  -3.004   7.777  1.00 43.75      2SAM 873
TER     743      PHE    99                                              2SAM 874
HETATM  744  C1  EPN   101     -18.375  -0.440  -1.146  0.50  7.82      2SAM 875
HETATM  745  O17 EPN   101     -19.682  -0.936  -1.493  0.50 13.35      2SAM 876
HETATM  746  C2  EPN   101     -18.049   0.897  -1.777  0.50  7.50   1  2SAM 877
HETATM  747  C3  EPN   101     -19.041   2.030  -1.507  0.50  9.92      2SAM 878
HETATM  748  O18 EPN   101     -18.971   2.957  -0.479  0.50 11.96      2SAM 879
HETATM  749  C4  EPN   101     -22.048   5.080  -0.392  0.50 17.34      2SAM 880
HETATM  750  C5  EPN   101     -21.662   6.074   0.516  0.50 17.32      2SAM 881
HETATM  751  N11 EPN   101     -22.569   7.231   0.914  0.50 16.98      2SAM 882
HETATM  752  O14 EPN   101     -23.657   7.245   0.410  0.50 16.03      2SAM 883
HETATM  753  O16 EPN   101     -22.088   8.002   1.699  0.50 19.47      2SAM 884
HETATM  754  C6  EPN   101     -20.383   5.977   1.045  0.50 14.67      2SAM 885
HETATM  755  C7  EPN   101     -19.536   4.961   0.691  0.50 14.23      2SAM 886
HETATM  756  C8  EPN   101     -19.934   3.988  -0.191  0.50 13.30      2SAM 887
HETATM  757  C9  EPN   101     -21.193   4.036  -0.742  0.50 15.26      2SAM 888
HETATM  758  O   HOH   301     -22.909   0.000   0.000  0.50  7.77      2SAM 889
HETATM  759  O   HOH   302     -14.172  -6.128  -2.531  1.00 29.43      2SAM 890
HETATM  760  O   HOH   303      -3.224   5.184   6.657  1.00 35.50      2SAM 891
HETATM  761  O   HOH   304     -17.370  -2.427 -13.290  1.00 15.28      2SAM 892
HETATM  762  O   HOH   305     -12.668  -4.084 -15.781  1.00 29.27      2SAM 893
HETATM  763  O   HOH   306      -7.223   9.326   1.392  1.00 18.96      2SAM 894
HETATM  764  O   HOH   308     -15.672  -6.083 -14.574  1.00 44.39      2SAM 895
HETATM  765  O   HOH   309     -17.976  14.141 -10.129  1.00 72.61      2SAM 896
HETATM  766  O   HOH   310      -7.387  14.127  -9.050  1.00 28.71      2SAM 897
HETATM  767  O   HOH   311     -17.438  15.640  -1.589  1.00 54.30      2SAM 898
HETATM  768  O   HOH   312     -10.930   9.765 -21.040  1.00 32.11      2SAM 899
HETATM  769  O   HOH   313     -23.901  -7.191  -6.188  1.00 42.73      2SAM 900
HETATM  770  O   HOH   314       0.501   6.122 -11.806  1.00 33.71      2SAM 901
HETATM  771  O   HOH   315     -27.508   4.785 -15.877  1.00 25.36      2SAM 902
HETATM  772  O   HOH   316      -5.342  11.029   4.341  1.00 41.92      2SAM 903
HETATM  773  O   HOH   317     -16.238  13.866   2.599  1.00 51.93      2SAM 904
HETATM  774  O   HOH   318      -5.568   8.700 -22.842  1.00 44.82      2SAM 905
HETATM  775  O   HOH   319     -27.319  11.236 -13.108  1.00 71.58      2SAM 906
HETATM  776  O   HOH   320     -32.271   1.997  -9.186  1.00 38.88      2SAM 907
HETATM  777  O   HOH   321     -13.548  -7.285  -9.473  1.00 28.21      2SAM 908
HETATM  778  O   HOH   322       3.750   1.754 -13.250  1.00 53.01      2SAM 909
HETATM  779  O   HOH   323     -16.995 -11.809  -6.369  1.00 60.77      2SAM 910
HETATM  780  O   HOH   324      -9.471  14.814  -6.709  1.00 34.51      2SAM 911
HETATM  781  O   HOH   325     -10.866  -7.753  -9.705  1.00 30.94      2SAM 912
CONECT  202  200  746                                                   2SAM 913
CONECT  744  745  746                                                   2SAM 914
CONECT  745  744                                                        2SAM 915
CONECT  746  202  744  747                                              2SAM 916
CONECT  747  746  748                                                   2SAM 917
CONECT  748  747  756                                                   2SAM 918
CONECT  749  750  757                                                   2SAM 919
CONECT  750  749  751  754                                              2SAM 920
CONECT  751  750  752  753                                              2SAM 921
CONECT  752  751                                                        2SAM 922
CONECT  753  751                                                        2SAM 923
CONECT  754  750  755                                                   2SAM 924
CONECT  755  754  756                                                   2SAM 925
CONECT  756  748  755  757                                              2SAM 926
CONECT  757  749  756                                                   2SAM 927
MASTER       87    2    1    1   11    4    0    6  780    1   15    8  2SAM 928
END                                                                     2SAM 929