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<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: CAD                version 6.0       : 01/08/06##
 ###############################################################
 User: phzwart  Run date: 23/11/2006 Run time: 20:34:44 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.

<!--SUMMARY_END--></FONT></B>
 Data line--- RESOL OVER_ALL 20 1.2
 Data line--- LABIN FILE 1 E1=FP E2=PHIOUT  E3=WTOUT
 Data line--- CTYPIN FILE 1 E1=F E2=P E3=W
 Data line--- LABOUT E1=FP E2=PHIOUT  E3=WTOUT
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 
 $TEXT:Warning: $$ comment $$ 
 WARNING: LABOUT line missing FILE number
 $$
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 File_Number defaulted to  1

 Data line--- END
    Indices output even if all data items flagged "missing"

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN1   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/combo_acorn1.mtz 

 * Title:

 [No title given]

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             76.7480   76.7480   76.7480   90.0000   90.0000   90.0000
             1.00000

 * Number of Columns = 17

 * Number of Reflections = 21166

 * Missing value set to NaN in input mtz file

 * Column Labels :

 H K L dum1 sdum1 EOEXT PHIOUT WTOUT ECOUT FP SIGFP R-free-flags F_ECALC E SIGE F2OR E2OR

 * Column Types :

 H H H F Q F P W F F Q I F E Q J J

 * Associated datasets :

 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   76.7480   76.7480   76.7480   90.0000   90.0000   90.0000 

 *  Resolution Range :

    0.00034    0.99996     (     54.233 -      1.000 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'I 4 3 2' (number     211)


 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

Reciprocal space symmetry: 
Space group: "I 4 3 2" Point group: "PG432" Laue group: "m3barm" 
Reference asymmetric unit: "k>=l and l>=h and h>=0" 
  (change of basis may be applied) 

 Spacegroup 211 "I 4 3 2" 
 Original indices for reflection hkl with symmetry number ISYM 

                              Bijvoet positive 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   1  +h,+k,+l       3  -k,+h,+l       5  -h,-k,+l       7  +k,-h,+l    
  ISYM   9  +h,-k,-l      11  +k,+h,-l      13  -h,+k,-l      15  -k,-h,-l    
  ISYM  17  +l,+h,+k      19  -h,+l,+k      21  -l,-h,+k      23  +h,-l,+k    
  ISYM  25  +l,-h,-k      27  +h,+l,-k      29  -l,+h,-k      31  -h,-l,-k    
  ISYM  33  +k,+l,+h      35  +k,-l,-h      37  +l,+k,-h      39  -k,+l,-h    
  ISYM  41  -l,-k,-h      43  -k,-l,+h      45  +l,-k,+h      47  -l,+k,+h    

                              Bijvoet negative 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   2  -h,-k,-l       4  +k,-h,-l       6  +h,+k,-l       8  -k,+h,-l    
  ISYM  10  -h,+k,+l      12  -k,-h,+l      14  +h,-k,+l      16  +k,+h,+l    
  ISYM  18  -l,-h,-k      20  +h,-l,-k      22  +l,+h,-k      24  -h,+l,-k    
  ISYM  26  -l,+h,+k      28  -h,-l,+k      30  +l,-h,+k      32  +h,+l,+k    
  ISYM  34  -k,-l,-h      36  -k,+l,+h      38  -l,-k,+h      40  +k,-l,+h    
  ISYM  42  +l,+k,+h      44  +k,+l,-h      46  -l,+k,-h      48  +l,-k,-h    


 Chosen Asymmetric unit of reciprocal space: 
 [m3m] hkl:h>=0, k>=0, l>=0 with k>=l, and l>=h


 ** "Missing" flag set in HKLIN1 to Nan:


 ** "Missing" entries LISTED as           -999.000
 Data line--- LABIN  E1=FP E2=PHIOUT  E3=WTOUT
 Data line--- LABOUT E1=FP E2=PHIOUT  E3=WTOUT


 After Processing File_Number:  1
 Number of columns so far    :   6
 Accumulated Out_Put_MTZ_labels are:
  E11=FP  E21=PHIOUT  E31=WTOUT 


 MTZOUT_LABELS are H K L and -
  FP  PHIOUT  WTOUT 
        3 sort keys, in columns    1   2   3




 Data line--- LABIN  E1=FP E2=PHIOUT  E3=WTOUT

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN1   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/combo_acorn1.mtz 

 * Title:

 [No title given]

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             76.7480   76.7480   76.7480   90.0000   90.0000   90.0000
             1.00000

 * Number of Columns = 17

 * Number of Reflections = 21166

 * Missing value set to NaN in input mtz file

 * Column Labels :

 H K L dum1 sdum1 EOEXT PHIOUT WTOUT ECOUT FP SIGFP R-free-flags F_ECALC E SIGE F2OR E2OR

 * Column Types :

 H H H F Q F P W F F Q I F E Q J J

 * Associated datasets :

 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   76.7480   76.7480   76.7480   90.0000   90.0000   90.0000 

 *  Resolution Range :

    0.00034    0.99996     (     54.233 -      1.000 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'I 4 3 2' (number     211)


 Reading from HKLIN mtz file_Number = :1
 This file written with MTZLIB Version Number : MTZ:V1.1  
 File HKLIN1 contains a total of     17 Columns
 and a total of      21166 Reflections

  ******   EPSILON ZONES -  Reflection Classes and their multiplicity ****** 

  EPSILON Zone   1
  Reflections of type  h00 
  Multiplicity   8

  EPSILON Zone   2
  Reflections of type  0k0 
  Multiplicity   8

  EPSILON Zone   3
  Reflections of type  00l 
  Multiplicity   8

  EPSILON Zone   4
  Reflections of type  hh0 
  Multiplicity   4

  EPSILON Zone   5
  Reflections of type  h0h 
  Multiplicity   4

  EPSILON Zone   6
  Reflections of type  0kk 
  Multiplicity   4

  EPSILON Zone   7
  Reflections of type  h -h0 
  Multiplicity   4

  EPSILON Zone   8
  Reflections of type  h0 -h 
  Multiplicity   4

  EPSILON Zone   9
  Reflections of type  0k -k 
  Multiplicity   4

  EPSILON Zone   10
  Reflections of type  hhh 
  Multiplicity   6

  EPSILON Zone   11
  Reflections of type  hkl 
  Multiplicity   2

  ******   CENTRIC ZONES  ****** 

  CENTRIC Zone   1
  Reflections of type  0kl 

  CENTRIC Zone   2
  Reflections of type  h0l 

  CENTRIC Zone   3
  Reflections of type  hk0 

  CENTRIC Zone   4
  Reflections of type  hhl 

  CENTRIC Zone   5
  Reflections of type  hkh 

  CENTRIC Zone   6
  Reflections of type  hkk 

  CENTRIC Zone   7
  Reflections of type  h -hl 

  CENTRIC Zone   8
  Reflections of type  hk -h 

  CENTRIC Zone   9
  Reflections of type  hk -k 



 For file HKLIN1
 Total Number of HKL read                         =      21166
 Total Number of HKL systematic absent            =          0
 Total Number of HKL reject for resolution limits =       8758
 Total Number of HKL passed to sort for this file =      14675


 Total number read for all files    =      21166
 Total passed to sort for all files =      14675
 Total number systematic absent     =          0
 Total number rejected outside resol=       8758


 Number of columns per file:
 File_Number =    1 Number_Columns_Selected =     3

 Data line--- LABOUT E11=FP E21=PHIOUT E31=WTOUT

 WRITTEN OUTPUT MTZ FILE 
 Logical Name: HKLOUT   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.cad 

 * Title:

 [No title given]

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             76.7480   76.7480   76.7480   90.0000   90.0000   90.0000
             1.00000

 * Number of Columns = 6

 * Number of Reflections = 12408

 * Missing value set to NaN in input mtz file

 * Column Labels :

 H K L PHIOUT WTOUT FP

 * Column Types :

 H H H P W F

 * Associated datasets :

 0 0 0 0 0 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   76.7480   76.7480   76.7480   90.0000   90.0000   90.0000 

 *  Resolution Range :

    0.00272    0.69437     (     19.187 -      1.200 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'I 4 3 2' (number     211)



 Total number from Sorting Routine =      14675
 Final Total of Unique records to HKLOUT =      12408
 Final Total of Missing records to HKLOUT =          0
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 CAD:   *** Normal Termination of CAD ***
Times: User:       0.8s System:    0.0s Elapsed:     0:00  
</pre>
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<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: FFTBIG             version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date: 23/11/2006 Run time: 20:34:44 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.

<!--SUMMARY_END--></FONT></B>
 Data line--- LABIN F1=FP PHI=PHIOUT W=WTOUT
 Data line--- RESOL 20 1.2
 Data line--- END

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.cad 

 * Title:

 [No title given]

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             76.7480   76.7480   76.7480   90.0000   90.0000   90.0000
             1.00000

 * Number of Columns = 6

 * Number of Reflections = 12408

 * Missing value set to NaN in input mtz file

 * HISTORY for current MTZ file :

 From ACORN 22/11/2006 15:53:35 ACORN                                            
 From ECALC 22/11/2006 15:20:58                                                  
 Date 2006-11-22 Time 15:15:03 PST -0800                                         
 > program: iotbx.reflection_file_converter                                      
 > input file name: BWS11-I432-1t360.sca                                         
 > input directory: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data     
 > input labels: i_obs,sigma                                                     
 > R-free flags generated by iotbx.reflection_file_converter:                    
 >   Date 2006-11-22 Time 15:15:03 PST -0800                                     
 >   fraction: 0.1                                                               
 >   max_free: 2000                                                              
 >   size of work set: 2208                                                      
 >   size of free set: 246                                                       
 > output file name: betty.mtz                                                   
 > output directory: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data    
 data from CAD on 22/11/06                                                       
 data from CAD on 23/11/06                                                       

 * Column Labels :

 H K L PHIOUT WTOUT FP

 * Column Types :

 H H H P W F

 * Associated datasets :

 0 0 0 0 0 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   76.7480   76.7480   76.7480   90.0000   90.0000   90.0000 

 *  Resolution Range :

    0.00272    0.69437     (     19.188 -      1.200 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'I 4 3 2' (number     211)

 Map cell is set to:   76.75   76.75   76.75   90.00   90.00   90.00

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

  FREE column NOT assigned


 Coefficients used for Fourier calculation:-
 *******************************************


 Fourier synthesis: W * ( k1 * F1) exp( i PHI)

    F1   =  FP
    PHI  =  PHIOUT                        
    W    =  WTOUT                         



 Resolution limits:     20.00     1.20
 Scale & B for F1 :    1.00000  0.00000

 *  F used = Scale * exp(- B * (sin theta/lambda)**2);  ** Scale and B applied to F BEFORE squaring for Patterson  **


 *** No reflections excluded ***




 Number of symmetry operations =24 Space-group for FFT =   1  True space-group = 211 List terms gt     0

 Axis order in map: fast=Y,  medium= X,  slow(section)= Z


 ** The limits of the map have been set to those of
 the unit cell:

    Min X   Max X   Min Y   Max Y   Min Z   Max Z
    0.000   1.000   0.000   1.000   0.000   1.000

 (expressed in fractional coordinates and with x,y,z
  referring to the unpermutated axes.)


 Permutation of axes: (program=input)  x= X,  y= Z,  z= Y

 Before permutation :
           Maximum indices hkl ...................   64   64   64
           Sampling intervals on xyz .............  192  192  192
           Map limits in grid points on xyz ......    0  191       0  191       0  191

 Binary map will be written to stream   1

 Data is assumed to be unsorted
 After permutation :
           Maximum indices hkl ...................   64   64   64
           Sampling intervals on xyz .............  192  192  192
           Map limits in grid points on xyz ......    0  191       0  191       0  191






                              Fourier synthesis for space-group P1

  Buffer size =     7151616



  ****  Largest F Value *** Reflection   0  6  0         291.74

                                         Mean F           21.43

      58848 Structure factors used out of 10751 on the input file

 Logical Name: MAPOUT   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.map 

File name for output map file on unit   1 : /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.map
logical name MAPOUT

 F000 =    0.000E+00          V =    4.521E+05

 Section axis is Z

 Binary output has Y running fastest, X next
  Section Z =   0 minimum rho =        -0.0788 at X =  11 Y =  44 maximum rho =         0.1890 at X =   0 Y =   0
  Section Z =   1 minimum rho =        -0.0720 at X =  11 Y = 149 maximum rho =         0.1726 at X =   0 Y =   0
  Section Z =   2 minimum rho =        -0.0643 at X = 112 Y =  85 maximum rho =         0.1497 at X = 153 Y =  15
  Section Z =   3 minimum rho =        -0.0600 at X =  15 Y = 152 maximum rho =         0.1551 at X =  11 Y = 116
  Section Z =   4 minimum rho =        -0.0744 at X =  52 Y =  17 maximum rho =         0.1707 at X =  11 Y = 116
  Section Z =   5 minimum rho =        -0.0785 at X = 140 Y = 175 maximum rho =         0.1852 at X = 145 Y =  41
  Section Z =   6 minimum rho =        -0.0659 at X =  69 Y = 141 maximum rho =         0.1892 at X = 109 Y = 168
  Section Z =   7 minimum rho =        -0.0788 at X = 173 Y = 148 maximum rho =         0.1704 at X = 109 Y = 169
  Section Z =   8 minimum rho =        -0.0815 at X = 172 Y = 147 maximum rho =         0.1399 at X =   4 Y = 179
  Section Z =   9 minimum rho =        -0.1031 at X = 170 Y = 146 maximum rho =         0.1327 at X =  13 Y =   4
  Section Z =  10 minimum rho =        -0.1085 at X = 170 Y = 145 maximum rho =         0.1677 at X =  15 Y = 140
  Section Z =  11 minimum rho =        -0.0788 at X =   0 Y =  44 maximum rho =         0.1753 at X = 177 Y =  53
  Section Z =  12 minimum rho =        -0.0692 at X =   0 Y =  44 maximum rho =         0.1758 at X =  72 Y = 102
  Section Z =  13 minimum rho =        -0.0868 at X =  15 Y = 145 maximum rho =         0.2030 at X = 171 Y = 146
  Section Z =  14 minimum rho =        -0.1169 at X = 145 Y = 176 maximum rho =         0.4101 at X = 145 Y =  21
  Section Z =  15 minimum rho =        -0.1243 at X =  17 Y = 145 maximum rho =         0.6016 at X = 145 Y =  21
  Section Z =  16 minimum rho =        -0.1237 at X =  15 Y =  48 maximum rho =         0.7027 at X = 145 Y =  21
  Section Z =  17 minimum rho =        -0.1243 at X =  15 Y =  47 maximum rho =         0.6756 at X =  21 Y =  47
  Section Z =  18 minimum rho =        -0.1128 at X =  15 Y =  47 maximum rho =         0.5350 at X = 145 Y =  21
  Section Z =  19 minimum rho =        -0.0887 at X =  15 Y =  47 maximum rho =         0.3843 at X =  16 Y = 145
  Section Z =  20 minimum rho =        -0.0884 at X =  46 Y =   9 maximum rho =         0.5849 at X =  16 Y = 145
  Section Z =  21 minimum rho =        -0.1080 at X =  10 Y = 145 maximum rho =         0.7027 at X = 145 Y = 176
  Section Z =  22 minimum rho =        -0.1085 at X =  10 Y = 145 maximum rho =         0.6914 at X =  16 Y = 145
  Section Z =  23 minimum rho =        -0.1095 at X =  16 Y = 138 maximum rho =         0.5577 at X =  16 Y = 145
  Section Z =  24 minimum rho =        -0.1031 at X =  16 Y = 139 maximum rho =         0.3563 at X =  16 Y = 145
  Section Z =  25 minimum rho =        -0.0845 at X =  16 Y = 139 maximum rho =         0.1573 at X =  16 Y = 145
  Section Z =  26 minimum rho =        -0.0667 at X =  78 Y = 173 maximum rho =         0.1462 at X =  29 Y =  43
  Section Z =  27 minimum rho =        -0.0791 at X = 174 Y =  46 maximum rho =         0.1452 at X =  29 Y =  43
  Section Z =  28 minimum rho =        -0.1012 at X = 145 Y = 175 maximum rho =         0.1605 at X = 120 Y = 101
  Section Z =  29 minimum rho =        -0.0934 at X = 145 Y = 176 maximum rho =         0.1462 at X =  26 Y = 149
  Section Z =  30 minimum rho =        -0.0676 at X =  79 Y =  91 maximum rho =         0.1298 at X =  27 Y = 149
  Section Z =  31 minimum rho =        -0.0720 at X =  78 Y =  91 maximum rho =         0.1503 at X = 151 Y = 177
  Section Z =  32 minimum rho =        -0.0690 at X =  92 Y = 114 maximum rho =         0.1591 at X = 151 Y = 177
  Section Z =  33 minimum rho =        -0.0557 at X = 114 Y = 101 maximum rho =         0.1548 at X = 148 Y = 101
  Section Z =  34 minimum rho =        -0.0573 at X =  39 Y =  91 maximum rho =         0.1395 at X = 148 Y = 101
  Section Z =  35 minimum rho =        -0.0584 at X = 107 Y =  87 maximum rho =         0.1347 at X =  48 Y =  98
  Section Z =  36 minimum rho =        -0.0638 at X =  39 Y = 175 maximum rho =         0.1336 at X =  98 Y = 144
  Section Z =  37 minimum rho =        -0.0667 at X =  40 Y =  16 maximum rho =         0.1366 at X =  82 Y = 189
  Section Z =  38 minimum rho =        -0.0651 at X =  41 Y =  16 maximum rho =         0.1430 at X =  82 Y = 189
  Section Z =  39 minimum rho =        -0.0663 at X = 155 Y = 176 maximum rho =         0.1534 at X =   5 Y = 145
  Section Z =  40 minimum rho =        -0.0667 at X = 176 Y = 155 maximum rho =         0.1851 at X =   5 Y = 145
  Section Z =  41 minimum rho =        -0.0803 at X =  73 Y =  80 maximum rho =         0.1852 at X =   5 Y = 145
  Section Z =  42 minimum rho =        -0.1095 at X =  73 Y =  80 maximum rho =         0.1598 at X =  12 Y =  17
  Section Z =  43 minimum rho =        -0.1079 at X =  73 Y =  80 maximum rho =         0.1753 at X =  81 Y = 107
  Section Z =  44 minimum rho =        -0.0860 at X = 113 Y = 113 maximum rho =         0.2543 at X = 171 Y =  16
  Section Z =  45 minimum rho =        -0.0964 at X = 113 Y = 112 maximum rho =         0.4593 at X = 171 Y =  16
  Section Z =  46 minimum rho =        -0.1148 at X = 177 Y =  17 maximum rho =         0.6311 at X =  16 Y =  21
  Section Z =  47 minimum rho =        -0.1243 at X =  17 Y =  15 maximum rho =         0.7027 at X =  16 Y =  21
  Section Z =  48 minimum rho =        -0.1237 at X = 112 Y =  81 maximum rho =         0.6427 at X =  80 Y = 117
  Section Z =  49 minimum rho =        -0.1243 at X = 111 Y = 113 maximum rho =         0.7027 at X =  75 Y =  80
  Section Z =  50 minimum rho =        -0.1148 at X = 111 Y = 113 maximum rho =         0.6311 at X =  75 Y =  80
  Section Z =  51 minimum rho =        -0.0964 at X =  16 Y =  17 maximum rho =         0.4593 at X =  75 Y =  80
  Section Z =  52 minimum rho =        -0.0860 at X =  17 Y =  17 maximum rho =         0.2543 at X =  75 Y =  80
  Section Z =  53 minimum rho =        -0.1079 at X = 169 Y =  16 maximum rho =         0.1753 at X =  11 Y = 177
  Section Z =  54 minimum rho =        -0.1095 at X = 169 Y =  16 maximum rho =         0.1598 at X =  84 Y = 113
  Section Z =  55 minimum rho =        -0.0803 at X = 169 Y =  16 maximum rho =         0.1852 at X =  49 Y = 101
  Section Z =  56 minimum rho =        -0.0667 at X =  59 Y =  80 maximum rho =         0.1851 at X =  49 Y = 101
  Section Z =  57 minimum rho =        -0.0663 at X =  80 Y =  59 maximum rho =         0.1534 at X =  49 Y = 101
  Section Z =  58 minimum rho =        -0.0651 at X = 137 Y =  80 maximum rho =         0.1430 at X =  14 Y =  93
  Section Z =  59 minimum rho =        -0.0667 at X =  80 Y =  56 maximum rho =         0.1366 at X =  14 Y =  93
  Section Z =  60 minimum rho =        -0.0638 at X =  57 Y =  79 maximum rho =         0.1336 at X =   2 Y = 144
  Section Z =  61 minimum rho =        -0.0584 at X =  11 Y =   9 maximum rho =         0.1347 at X =   2 Y = 144
  Section Z =  62 minimum rho =        -0.0573 at X = 135 Y =   5 maximum rho =         0.1395 at X = 140 Y =   5
  Section Z =  63 minimum rho =        -0.0557 at X = 174 Y =   5 maximum rho =         0.1548 at X =   5 Y =  52
  Section Z =  64 minimum rho =        -0.0690 at X =  18 Y = 188 maximum rho =         0.1591 at X =  55 Y = 111
  Section Z =  65 minimum rho =        -0.0720 at X =  18 Y = 187 maximum rho =         0.1503 at X =  55 Y = 111
  Section Z =  66 minimum rho =        -0.0676 at X =   5 Y =  17 maximum rho =         0.1298 at X =  53 Y = 123
  Section Z =  67 minimum rho =        -0.0934 at X =  80 Y =  49 maximum rho =         0.1462 at X =  70 Y =  53
  Section Z =  68 minimum rho =        -0.1012 at X =  79 Y =  49 maximum rho =         0.1605 at X =  24 Y = 187
  Section Z =  69 minimum rho =        -0.0791 at X =  78 Y =  50 maximum rho =         0.1452 at X =  53 Y =  67
  Section Z =  70 minimum rho =        -0.0667 at X =  18 Y =  77 maximum rho =         0.1462 at X =  53 Y =  67
  Section Z =  71 minimum rho =        -0.0845 at X =  43 Y = 112 maximum rho =         0.1573 at X =  49 Y = 112
  Section Z =  72 minimum rho =        -0.1031 at X =  80 Y =  43 maximum rho =         0.3563 at X =  49 Y = 112
  Section Z =  73 minimum rho =        -0.1095 at X = 112 Y = 150 maximum rho =         0.5577 at X =  49 Y = 112
  Section Z =  74 minimum rho =        -0.1085 at X = 106 Y = 143 maximum rho =         0.6914 at X =  49 Y = 112
  Section Z =  75 minimum rho =        -0.1080 at X =  49 Y = 106 maximum rho =         0.7027 at X =  49 Y = 112
  Section Z =  76 minimum rho =        -0.0884 at X = 105 Y = 142 maximum rho =         0.5849 at X =  49 Y = 112
  Section Z =  77 minimum rho =        -0.0887 at X = 111 Y =  49 maximum rho =         0.3843 at X =  49 Y = 112
  Section Z =  78 minimum rho =        -0.1128 at X = 111 Y =  49 maximum rho =         0.5350 at X =  49 Y =  75
  Section Z =  79 minimum rho =        -0.1243 at X = 111 Y =  49 maximum rho =         0.6756 at X =  49 Y =  75
  Section Z =  80 minimum rho =        -0.1237 at X =  48 Y =  81 maximum rho =         0.7027 at X =  49 Y =  75
  Section Z =  81 minimum rho =        -0.1243 at X =  49 Y = 113 maximum rho =         0.6016 at X =  49 Y =  75
  Section Z =  82 minimum rho =        -0.1169 at X =  49 Y = 112 maximum rho =         0.4101 at X =  49 Y =  75
  Section Z =  83 minimum rho =        -0.0868 at X =  49 Y = 111 maximum rho =         0.2030 at X =  50 Y =  75
  Section Z =  84 minimum rho =        -0.0692 at X = 140 Y =  96 maximum rho =         0.1758 at X =  24 Y =   6
  Section Z =  85 minimum rho =        -0.0788 at X =  96 Y =  52 maximum rho =         0.1753 at X =  81 Y =  43
  Section Z =  86 minimum rho =        -0.1085 at X =  74 Y = 143 maximum rho =         0.1677 at X = 148 Y =  81
  Section Z =  87 minimum rho =        -0.1031 at X = 142 Y = 118 maximum rho =         0.1327 at X =  83 Y = 100
  Section Z =  88 minimum rho =        -0.0815 at X = 141 Y = 116 maximum rho =         0.1399 at X =  92 Y =  83
  Section Z =  89 minimum rho =        -0.0788 at X =  77 Y = 140 maximum rho =         0.1704 at X =  73 Y =  13
  Section Z =  90 minimum rho =        -0.0659 at X = 165 Y = 147 maximum rho =         0.1892 at X =  13 Y = 120
  Section Z =  91 minimum rho =        -0.0785 at X =  44 Y = 113 maximum rho =         0.1852 at X =  49 Y =  55
  Section Z =  92 minimum rho =        -0.0744 at X =  44 Y = 113 maximum rho =         0.1707 at X = 107 Y = 172
  Section Z =  93 minimum rho =        -0.0600 at X = 136 Y =  81 maximum rho =         0.1551 at X = 107 Y = 172
  Section Z =  94 minimum rho =        -0.0643 at X = 181 Y =  16 maximum rho =         0.1497 at X =  57 Y =  81
  Section Z =  95 minimum rho =        -0.0720 at X =  53 Y = 107 maximum rho =         0.1726 at X =  96 Y =  96
  Section Z =  96 minimum rho =        -0.0788 at X =  52 Y =  85 maximum rho =         0.1890 at X =  96 Y =  96
  Section Z =  97 minimum rho =        -0.0720 at X = 107 Y =  53 maximum rho =         0.1726 at X =  96 Y =  96
  Section Z =  98 minimum rho =        -0.0643 at X =  16 Y = 181 maximum rho =         0.1497 at X =  57 Y = 111
  Section Z =  99 minimum rho =        -0.0600 at X =  56 Y =  81 maximum rho =         0.1551 at X = 107 Y =  20
  Section Z = 100 minimum rho =        -0.0744 at X =  44 Y =  79 maximum rho =         0.1707 at X =  85 Y = 172
  Section Z = 101 minimum rho =        -0.0785 at X =  44 Y =  79 maximum rho =         0.1852 at X =  49 Y = 137
  Section Z = 102 minimum rho =        -0.0659 at X = 165 Y =  45 maximum rho =         0.1892 at X =  13 Y =  72
  Section Z = 103 minimum rho =        -0.0788 at X =  77 Y =  52 maximum rho =         0.1704 at X =  13 Y =  73
  Section Z = 104 minimum rho =        -0.0815 at X =  76 Y =  51 maximum rho =         0.1399 at X = 100 Y =  83
  Section Z = 105 minimum rho =        -0.1031 at X =  74 Y =  50 maximum rho =         0.1327 at X = 109 Y = 100
  Section Z = 106 minimum rho =        -0.1085 at X =  49 Y = 118 maximum rho =         0.1677 at X =  81 Y = 148
  Section Z = 107 minimum rho =        -0.0788 at X =  96 Y = 140 maximum rho =         0.1753 at X =  81 Y = 149
  Section Z = 108 minimum rho =        -0.0692 at X =  96 Y = 140 maximum rho =         0.1758 at X =   6 Y =  24
  Section Z = 109 minimum rho =        -0.0868 at X =  49 Y =  81 maximum rho =         0.2030 at X =  75 Y =  50
  Section Z = 110 minimum rho =        -0.1169 at X =  49 Y =  80 maximum rho =         0.4101 at X =  49 Y = 117
  Section Z = 111 minimum rho =        -0.1243 at X =  49 Y =  79 maximum rho =         0.6016 at X =  49 Y = 117
  Section Z = 112 minimum rho =        -0.1237 at X = 111 Y = 144 maximum rho =         0.7027 at X =  49 Y = 117
  Section Z = 113 minimum rho =        -0.1243 at X =  81 Y =  49 maximum rho =         0.6756 at X =  49 Y = 117
  Section Z = 114 minimum rho =        -0.1128 at X =  49 Y = 111 maximum rho =         0.5350 at X =  49 Y = 117
  Section Z = 115 minimum rho =        -0.0887 at X = 111 Y = 143 maximum rho =         0.3843 at X =  49 Y =  80
  Section Z = 116 minimum rho =        -0.0884 at X = 142 Y = 105 maximum rho =         0.5849 at X =  49 Y =  80
  Section Z = 117 minimum rho =        -0.1080 at X = 106 Y =  49 maximum rho =         0.7027 at X =  49 Y =  80
  Section Z = 118 minimum rho =        -0.1085 at X = 106 Y =  49 maximum rho =         0.6914 at X = 112 Y =  49
  Section Z = 119 minimum rho =        -0.1095 at X =  42 Y =  80 maximum rho =         0.5577 at X =  49 Y =  80
  Section Z = 120 minimum rho =        -0.1031 at X =  43 Y =  80 maximum rho =         0.3563 at X =  49 Y =  80
  Section Z = 121 minimum rho =        -0.0845 at X =  80 Y = 149 maximum rho =         0.1573 at X =  49 Y =  80
  Section Z = 122 minimum rho =        -0.0667 at X = 174 Y =  77 maximum rho =         0.1462 at X =  53 Y = 125
  Section Z = 123 minimum rho =        -0.0791 at X =  50 Y =  78 maximum rho =         0.1452 at X =  53 Y = 125
  Section Z = 124 minimum rho =        -0.1012 at X =  49 Y =  79 maximum rho =         0.1605 at X =  24 Y =   5
  Section Z = 125 minimum rho =        -0.0934 at X =  49 Y =  80 maximum rho =         0.1462 at X =  53 Y =  70
  Section Z = 126 minimum rho =        -0.0676 at X = 175 Y = 187 maximum rho =         0.1298 at X =  53 Y =  69
  Section Z = 127 minimum rho =        -0.0720 at X =  18 Y =   5 maximum rho =         0.1503 at X =  55 Y =  81
  Section Z = 128 minimum rho =        -0.0690 at X = 188 Y =  18 maximum rho =         0.1591 at X =  55 Y =  81
  Section Z = 129 minimum rho =        -0.0557 at X =  18 Y =   5 maximum rho =         0.1548 at X =  52 Y =   5
  Section Z = 130 minimum rho =        -0.0573 at X = 135 Y = 187 maximum rho =         0.1395 at X =  52 Y =   5
  Section Z = 131 minimum rho =        -0.0584 at X =  11 Y = 183 maximum rho =         0.1347 at X =   2 Y =  48
  Section Z = 132 minimum rho =        -0.0638 at X = 135 Y =  79 maximum rho =         0.1336 at X =   2 Y =  48
  Section Z = 133 minimum rho =        -0.0667 at X = 136 Y = 112 maximum rho =         0.1366 at X =  14 Y =  99
  Section Z = 134 minimum rho =        -0.0651 at X = 137 Y = 112 maximum rho =         0.1430 at X =  14 Y =  99
  Section Z = 135 minimum rho =        -0.0663 at X =  59 Y =  80 maximum rho =         0.1534 at X = 101 Y =  49
  Section Z = 136 minimum rho =        -0.0667 at X =  80 Y =  59 maximum rho =         0.1851 at X =  49 Y =  91
  Section Z = 137 minimum rho =        -0.0803 at X = 169 Y = 176 maximum rho =         0.1852 at X =  49 Y =  91
  Section Z = 138 minimum rho =        -0.1095 at X = 169 Y = 176 maximum rho =         0.1598 at X = 108 Y = 113
  Section Z = 139 minimum rho =        -0.1079 at X = 169 Y = 176 maximum rho =         0.1753 at X =  11 Y =  15
  Section Z = 140 minimum rho =        -0.0860 at X =  17 Y =  17 maximum rho =         0.2543 at X =  75 Y = 112
  Section Z = 141 minimum rho =        -0.0964 at X =  17 Y =  16 maximum rho =         0.4593 at X =  75 Y = 112
  Section Z = 142 minimum rho =        -0.1148 at X =  81 Y = 113 maximum rho =         0.6311 at X =  75 Y = 112
  Section Z = 143 minimum rho =        -0.1243 at X =  81 Y = 113 maximum rho =         0.7027 at X =  75 Y = 112
  Section Z = 144 minimum rho =        -0.1237 at X =  16 Y = 177 maximum rho =         0.6427 at X =  75 Y = 112
  Section Z = 145 minimum rho =        -0.1243 at X =  15 Y =  17 maximum rho =         0.7027 at X =  16 Y = 171
  Section Z = 146 minimum rho =        -0.1148 at X =  15 Y =  17 maximum rho =         0.6311 at X = 171 Y = 176
  Section Z = 147 minimum rho =        -0.0964 at X = 112 Y = 113 maximum rho =         0.4593 at X = 171 Y = 176
  Section Z = 148 minimum rho =        -0.0860 at X = 113 Y =  79 maximum rho =         0.2543 at X = 171 Y = 176
  Section Z = 149 minimum rho =        -0.1079 at X =  73 Y = 112 maximum rho =         0.1753 at X =  81 Y =  85
  Section Z = 150 minimum rho =        -0.1095 at X =  73 Y = 112 maximum rho =         0.1598 at X =  12 Y = 175
  Section Z = 151 minimum rho =        -0.0803 at X =  73 Y = 112 maximum rho =         0.1852 at X = 145 Y =   5
  Section Z = 152 minimum rho =        -0.0667 at X = 155 Y = 176 maximum rho =         0.1851 at X = 145 Y =   5
  Section Z = 153 minimum rho =        -0.0663 at X =  37 Y = 176 maximum rho =         0.1534 at X = 145 Y =   5
  Section Z = 154 minimum rho =        -0.0651 at X =  41 Y = 176 maximum rho =         0.1430 at X =   3 Y = 110
  Section Z = 155 minimum rho =        -0.0667 at X =  40 Y = 176 maximum rho =         0.1366 at X =   3 Y = 110
  Section Z = 156 minimum rho =        -0.0638 at X = 153 Y = 175 maximum rho =         0.1336 at X =  98 Y =  48
  Section Z = 157 minimum rho =        -0.0584 at X = 107 Y = 105 maximum rho =         0.1347 at X =  98 Y =  48
  Section Z = 158 minimum rho =        -0.0573 at X =  39 Y = 101 maximum rho =         0.1395 at X =  44 Y = 101
  Section Z = 159 minimum rho =        -0.0557 at X =  78 Y = 101 maximum rho =         0.1548 at X =  44 Y = 101
  Section Z = 160 minimum rho =        -0.0690 at X =  78 Y = 100 maximum rho =         0.1591 at X = 151 Y =  15
  Section Z = 161 minimum rho =        -0.0720 at X = 114 Y =  91 maximum rho =         0.1503 at X = 151 Y =  15
  Section Z = 162 minimum rho =        -0.0676 at X =  79 Y = 101 maximum rho =         0.1298 at X = 149 Y =  27
  Section Z = 163 minimum rho =        -0.0934 at X = 176 Y = 145 maximum rho =         0.1462 at X = 166 Y = 149
  Section Z = 164 minimum rho =        -0.1012 at X = 175 Y = 145 maximum rho =         0.1605 at X = 120 Y =  91
  Section Z = 165 minimum rho =        -0.0791 at X = 174 Y = 146 maximum rho =         0.1452 at X = 149 Y = 163
  Section Z = 166 minimum rho =        -0.0667 at X =  78 Y =  19 maximum rho =         0.1462 at X =  29 Y = 149
  Section Z = 167 minimum rho =        -0.0845 at X = 139 Y =  16 maximum rho =         0.1573 at X =  16 Y =  47
  Section Z = 168 minimum rho =        -0.1031 at X = 176 Y = 139 maximum rho =         0.3563 at X =  16 Y =  47
  Section Z = 169 minimum rho =        -0.1095 at X =  16 Y =  54 maximum rho =         0.5577 at X = 145 Y =  16
  Section Z = 170 minimum rho =        -0.1085 at X =  10 Y =  47 maximum rho =         0.6914 at X = 145 Y =  16
  Section Z = 171 minimum rho =        -0.1080 at X =  10 Y =  47 maximum rho =         0.7027 at X = 176 Y = 145
  Section Z = 172 minimum rho =        -0.0884 at X =   9 Y =  46 maximum rho =         0.5849 at X =  16 Y =  47
  Section Z = 173 minimum rho =        -0.0887 at X =  15 Y = 145 maximum rho =         0.3843 at X = 145 Y =  16
  Section Z = 174 minimum rho =        -0.1128 at X =  15 Y = 145 maximum rho =         0.5350 at X =  21 Y = 145
  Section Z = 175 minimum rho =        -0.1243 at X =  15 Y = 145 maximum rho =         0.6756 at X = 145 Y = 171
  Section Z = 176 minimum rho =        -0.1237 at X =  15 Y = 144 maximum rho =         0.7027 at X = 145 Y = 171
  Section Z = 177 minimum rho =        -0.1243 at X = 145 Y =  17 maximum rho =         0.6016 at X = 145 Y = 171
  Section Z = 178 minimum rho =        -0.1169 at X = 145 Y =  16 maximum rho =         0.4101 at X =  21 Y = 145
  Section Z = 179 minimum rho =        -0.0868 at X =  15 Y =  47 maximum rho =         0.2030 at X = 146 Y = 171
  Section Z = 180 minimum rho =        -0.0692 at X =   0 Y =  44 maximum rho =         0.1758 at X = 120 Y = 102
  Section Z = 181 minimum rho =        -0.0788 at X =   0 Y =  44 maximum rho =         0.1753 at X = 177 Y = 139
  Section Z = 182 minimum rho =        -0.1085 at X =  47 Y =  22 maximum rho =         0.1677 at X =  52 Y = 177
  Section Z = 183 minimum rho =        -0.1031 at X =  46 Y =  22 maximum rho =         0.1327 at X =  13 Y = 188
  Section Z = 184 minimum rho =        -0.0815 at X =  45 Y =  20 maximum rho =         0.1399 at X =   4 Y =  13
  Section Z = 185 minimum rho =        -0.0788 at X = 173 Y =  44 maximum rho =         0.1704 at X =  83 Y = 169
  Section Z = 186 minimum rho =        -0.0659 at X =  69 Y =  51 maximum rho =         0.1892 at X =  24 Y =  83
  Section Z = 187 minimum rho =        -0.0785 at X = 140 Y =  17 maximum rho =         0.1852 at X = 145 Y = 151
  Section Z = 188 minimum rho =        -0.0744 at X = 140 Y =  17 maximum rho =         0.1707 at X =  11 Y =  76
  Section Z = 189 minimum rho =        -0.0600 at X =  40 Y = 177 maximum rho =         0.1551 at X =  11 Y =  76
  Section Z = 190 minimum rho =        -0.0643 at X =  85 Y = 112 maximum rho =         0.1497 at X =  15 Y = 153
  Section Z = 191 minimum rho =        -0.0720 at X =  11 Y =  43 maximum rho =         0.1726 at X =   0 Y =   0


 Overall maximum rho =          0.7027 on section Z =  16 at X = 145 Y =  21


 Overall minimum rho =         -0.1243 on section Z =  49 at X = 111 Y = 113

  Average density on this map is          0.00000000

 Logical Name: MAPOUT   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.map 

File name for input map file on unit   1 : /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.map
file size 28316416 ; logical name MAPOUT



           Number of columns, rows, sections ...............  192  192  192
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  191    0  191    0  191
           Grid sampling on x, y, z ........................  192  192  192
           Cell dimensions .................................  76.74800  76.74800  76.74800  90.00000  90.00000  90.00000
           Fast, medium, slow axes .........................    Y    X    Z
           Minimum density .................................    -0.12426
           Maximum density .................................     0.70270
           Mean density ....................................    -0.00000
           Rms deviation from mean density .................     0.02928
           Space-group .....................................  211
           Number of titles ................................    1


     Labels:                            
   Map from fft


<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 FFTBIG:  Normal termination
Times: User:       2.0s System:    0.1s Elapsed:     0:03  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: mapmask            version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date: 23/11/2006 Run time: 20:34:47 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.

<!--SUMMARY_END--></FONT></B>
 Data line--- XYZLIM  0.0 0.25 0.0 0.75 0.0 0.6667  

 Logical Name: MAPIN   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.map 

File name for input map file on unit   1 : /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_temp.map
file size 28316416 ; logical name MAPIN



           Number of columns, rows, sections ...............  192  192  192
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  191    0  191    0  191
           Grid sampling on x, y, z ........................  192  192  192
           Cell dimensions .................................  76.74800  76.74800  76.74800  90.00000  90.00000  90.00000
           Fast, medium, slow axes .........................    Y    X    Z
           Minimum density .................................    -0.12426
           Maximum density .................................     0.70270
           Mean density ....................................    -0.00000
           Rms deviation from mean density .................     0.02928
           Space-group .....................................  211
           Number of titles ................................    1


     Labels:                            
   Map from fft


 Unit cell volume:  452065.3
 Orthogonalisation matrices:
   76.748   0.000   0.000           0.013   0.000   0.000
    0.000  76.748   0.000           0.000   0.013   0.000
    0.000   0.000  76.748           0.000   0.000   0.013
 Real space metric tensor:      
    5890.3   5890.3   5890.3      0.0      0.0      0.0
 Reciprocal space metric tensor:
  0.000170 0.000170 0.000170 0.000000 0.000000 0.000000

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib


 INPUT  MASK EXTENT
         0 :  191         0 :  191         0 :  191
 OUTPUT MASK EXTENT
         0 :   48         0 :  144         0 :  128


 MAP/MASK READ SUCCESSFUL



 EXTEND COPY  mode
 Spacegroup symmetry and cell repeat will not be imposed
 on the map.



 Logical Name: MAPOUT   Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_arp_in.map 

File name for output map file on unit   1 : /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_arp_in.map
logical name MAPOUT

    Cell ..........  76.74800  76.74800  76.74800  90.00000  90.00000  90.00000
    Space group ...211
    Number of columns, rows, sections ........  145   49  129
    Start and stop points on cols, rows, secs.    0: 144    0:  48    0: 128
    Fast, medium, slow axes ..................    Y    X    Z
    Grid sampling on x, y, z .................  192  192  192
    Start and stop points on x, y, z .........    0:  48    0: 144    0: 128

<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 mapmask:   (mapmask) - normal termination 
Times: User:       0.3s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
 ###############################################################################
 ### ARP/wARP Program Suite: ARP Ver. 6.1  08 Jul 2004 V.Lamzin & A.Perrakis ###
 ############ Copyright 1998 European Molecular Biology Laboratory #############
 ###############################################################################

 User: phzwart  Run date and time: Thu Nov 23 20:34:48 2006

    0.00 CPU        0 Elapsed  
 Data line --  MODE MIRBUILD

 Required keywords:
 FILES        CCP4 file_names
 CELL         cell parameters
 SYMM         spacegroup
 RESOLUTION   resmin resmax
 MIRBUILD     ATOMS number MODELS number RESNAM WAT/DUM


 END (must be the last keyword)

 Data line --  FILES CCP4 MAPFIND /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest
               _data/acorn/13_arp_warp/13_arp_in.map XYZOUT1 /net/cci-filer1/vol1/hom
               e/phzwart/Banu/Betty/latest_data/acorn/13_mir_model_1.pdb XYZOUT2 /net
               /cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_mir_mode
               l_2.pdb XYZOUT3 /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_da
               ta/acorn/13_mir_model_3.pdb
 Data line --  SYMM 211

   Space group number        211     I432      
   No of symmetry operators   48

   1 symmetry matrix (identity matrix) and translation vector:
   1.000   0.000   0.000       0.000
   0.000   1.000   0.000       0.000
   0.000   0.000   1.000       0.000

   2 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.000
   0.000  -1.000   0.000       0.000
   0.000   0.000   1.000       0.000

   3 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.000
   0.000   1.000   0.000       0.000
   0.000   0.000  -1.000       0.000

   4 symmetry matrix (2-fold rotation) and translation vector:
   1.000   0.000   0.000       0.000
   0.000  -1.000   0.000       0.000
   0.000   0.000  -1.000       0.000

   5 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000   1.000       0.000
   1.000   0.000   0.000       0.000
   0.000   1.000   0.000       0.000

   6 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000   1.000       0.000
  -1.000   0.000   0.000       0.000
   0.000  -1.000   0.000       0.000

   7 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.000
  -1.000   0.000   0.000       0.000
   0.000   1.000   0.000       0.000

   8 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.000
   1.000   0.000   0.000       0.000
   0.000  -1.000   0.000       0.000

   9 symmetry matrix (3-fold rotation) and translation vector:
   0.000   1.000   0.000       0.000
   0.000   0.000   1.000       0.000
   1.000   0.000   0.000       0.000

  10 symmetry matrix (3-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.000
   0.000   0.000   1.000       0.000
  -1.000   0.000   0.000       0.000

  11 symmetry matrix (3-fold rotation) and translation vector:
   0.000   1.000   0.000       0.000
   0.000   0.000  -1.000       0.000
  -1.000   0.000   0.000       0.000

  12 symmetry matrix (3-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.000
   0.000   0.000  -1.000       0.000
   1.000   0.000   0.000       0.000

  13 symmetry matrix (2-fold rotation) and translation vector:
   0.000   1.000   0.000       0.000
   1.000   0.000   0.000       0.000
   0.000   0.000  -1.000       0.000

  14 symmetry matrix (2-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.000
  -1.000   0.000   0.000       0.000
   0.000   0.000  -1.000       0.000

  15 symmetry matrix (4-fold rotation) and translation vector:
   0.000   1.000   0.000       0.000
  -1.000   0.000   0.000       0.000
   0.000   0.000   1.000       0.000

  16 symmetry matrix (4-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.000
   1.000   0.000   0.000       0.000
   0.000   0.000   1.000       0.000

  17 symmetry matrix (4-fold rotation) and translation vector:
   1.000   0.000   0.000       0.000
   0.000   0.000   1.000       0.000
   0.000  -1.000   0.000       0.000

  18 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.000
   0.000   0.000   1.000       0.000
   0.000   1.000   0.000       0.000

  19 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.000
   0.000   0.000  -1.000       0.000
   0.000  -1.000   0.000       0.000

  20 symmetry matrix (4-fold rotation) and translation vector:
   1.000   0.000   0.000       0.000
   0.000   0.000  -1.000       0.000
   0.000   1.000   0.000       0.000

  21 symmetry matrix (4-fold rotation) and translation vector:
   0.000   0.000   1.000       0.000
   0.000   1.000   0.000       0.000
  -1.000   0.000   0.000       0.000

  22 symmetry matrix (2-fold rotation) and translation vector:
   0.000   0.000   1.000       0.000
   0.000  -1.000   0.000       0.000
   1.000   0.000   0.000       0.000

  23 symmetry matrix (4-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.000
   0.000   1.000   0.000       0.000
   1.000   0.000   0.000       0.000

  24 symmetry matrix (2-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.000
   0.000  -1.000   0.000       0.000
  -1.000   0.000   0.000       0.000

  25 symmetry matrix (identity matrix) and translation vector:
   1.000   0.000   0.000       0.500
   0.000   1.000   0.000       0.500
   0.000   0.000   1.000       0.500

  26 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.500
   0.000  -1.000   0.000       0.500
   0.000   0.000   1.000       0.500

  27 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.500
   0.000   1.000   0.000       0.500
   0.000   0.000  -1.000       0.500

  28 symmetry matrix (2-fold rotation) and translation vector:
   1.000   0.000   0.000       0.500
   0.000  -1.000   0.000       0.500
   0.000   0.000  -1.000       0.500

  29 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000   1.000       0.500
   1.000   0.000   0.000       0.500
   0.000   1.000   0.000       0.500

  30 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000   1.000       0.500
  -1.000   0.000   0.000       0.500
   0.000  -1.000   0.000       0.500

  31 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.500
  -1.000   0.000   0.000       0.500
   0.000   1.000   0.000       0.500

  32 symmetry matrix (3-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.500
   1.000   0.000   0.000       0.500
   0.000  -1.000   0.000       0.500

  33 symmetry matrix (3-fold rotation) and translation vector:
   0.000   1.000   0.000       0.500
   0.000   0.000   1.000       0.500
   1.000   0.000   0.000       0.500

  34 symmetry matrix (3-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.500
   0.000   0.000   1.000       0.500
  -1.000   0.000   0.000       0.500

  35 symmetry matrix (3-fold rotation) and translation vector:
   0.000   1.000   0.000       0.500
   0.000   0.000  -1.000       0.500
  -1.000   0.000   0.000       0.500

  36 symmetry matrix (3-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.500
   0.000   0.000  -1.000       0.500
   1.000   0.000   0.000       0.500

  37 symmetry matrix (2-fold rotation) and translation vector:
   0.000   1.000   0.000       0.500
   1.000   0.000   0.000       0.500
   0.000   0.000  -1.000       0.500

  38 symmetry matrix (2-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.500
  -1.000   0.000   0.000       0.500
   0.000   0.000  -1.000       0.500

  39 symmetry matrix (4-fold rotation) and translation vector:
   0.000   1.000   0.000       0.500
  -1.000   0.000   0.000       0.500
   0.000   0.000   1.000       0.500

  40 symmetry matrix (4-fold rotation) and translation vector:
   0.000  -1.000   0.000       0.500
   1.000   0.000   0.000       0.500
   0.000   0.000   1.000       0.500

  41 symmetry matrix (4-fold rotation) and translation vector:
   1.000   0.000   0.000       0.500
   0.000   0.000   1.000       0.500
   0.000  -1.000   0.000       0.500

  42 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.500
   0.000   0.000   1.000       0.500
   0.000   1.000   0.000       0.500

  43 symmetry matrix (2-fold rotation) and translation vector:
  -1.000   0.000   0.000       0.500
   0.000   0.000  -1.000       0.500
   0.000  -1.000   0.000       0.500

  44 symmetry matrix (4-fold rotation) and translation vector:
   1.000   0.000   0.000       0.500
   0.000   0.000  -1.000       0.500
   0.000   1.000   0.000       0.500

  45 symmetry matrix (4-fold rotation) and translation vector:
   0.000   0.000   1.000       0.500
   0.000   1.000   0.000       0.500
  -1.000   0.000   0.000       0.500

  46 symmetry matrix (2-fold rotation) and translation vector:
   0.000   0.000   1.000       0.500
   0.000  -1.000   0.000       0.500
   1.000   0.000   0.000       0.500

  47 symmetry matrix (4-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.500
   0.000   1.000   0.000       0.500
   1.000   0.000   0.000       0.500

  48 symmetry matrix (2-fold rotation) and translation vector:
   0.000   0.000  -1.000       0.500
   0.000  -1.000   0.000       0.500
  -1.000   0.000   0.000       0.500

 Asymmetric unit limits       1  /  4       3  /  4       2  /  3

 Extra conditions:
 X+Y<1, Z<X, Z<Y

 Data line --  CELL 76.7480 76.7480 76.7480 90.0000 90.0000 90.0000
 Data line --  RESOLUTION   20.0 2.3
 Data line --  MIRBUILD ATOMS 320 MODELS 1 RESN DUM
 Data line --  END


 Comments:  Space group  211  I432      
 Comments:  Cell parameters  76.748  76.748  76.748  90.000  90.000  90.000

 Comments:  Input MAPFIND will be filled by   320 atoms up to   48 per pass
            within distances  1.35  1.80 from each other
 Comments:  1 such model(s) will be output with the following parameters:
            Density threshold (in r.m.s. units) will be lowered down
            from  2.00 in steps of 0.05 until the number of atoms reaches   960
            Density threshold will only be lowered down
            if less than    5 atoms per pass are found
 Comments:  Additional parameters:
            For Model #1    960 atoms will be placed first
               352 atoms in the highest density will then be accepted,
              model will be output to /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_mir_model_1.pdb
 Comments:  atoms will have chain name Y and residue name DUM


 Opening file: AR430580.PD1
 Orthogonalisation code 1

 Transformation matrix    Fract. to orthogonal
    76.748001    0.000000    0.000000
     0.000000   76.748001    0.000000
     0.000000    0.000000   76.748001

 Transformation matrix    Orthogonal to fract.
     0.013030    0.000000    0.000000
     0.000000    0.013030    0.000000
     0.000000    0.000000    0.013030
 Orthogonalisation code 1

 Transformation matrix    Fract. to orthogonal
    76.748001    0.000000    0.000000
     0.000000   76.748001    0.000000
     0.000000    0.000000   76.748001

 Transformation matrix    Orthogonal to fract.
     0.013030    0.000000    0.000000
     0.000000    0.013030    0.000000
     0.000000    0.000000    0.013030

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.UN1.10134

 ----- Conversion to asymmetric unit done -----

    0.01 CPU        0 Elapsed asym unit
 VF000 is 0.001

 ----- Check for completeness of the model done -----


 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.17  0.42
 -0.17  0.92
 -0.17  0.84

 Atoms with non-zero occupancy read:     1 Written to extend:    47

 ----- Extension of coordinates done -----

    0.00 CPU        0 Elapsed extension

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134
  (Q)QOPEN: file opened on unit  1      Status: READONLY
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 Logical Name: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_arp_in.map      Filename: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_arp_warp/13_arp_in.map
<!--SUMMARY_END--></FONT></B>


 Map characteristics:

 MAP Title:  Map from fft                                                         
 MAP Space group number                       211
 MAP Cell parameters       76.748  76.748  76.748  90.000  90.000  90.000
 MAP Grid sampling on X, Y, Z                 192     192     192
 MAP Axes order (fast, medium, slow)            Y       X       Z
 MAP Columns  (Y)                             145               0     144
 MAP Rows     (X)                              49               0      48
 MAP Sections (Z)                             129               0     128
 MAP Density min, max, mean, rms           -0.124   0.703   0.000   0.028


 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.056 ( 2.00 sigmas )
   Distance limits:          1.350  13.269
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

     47 Atoms taken from input file



 Total number of points found:  24292
    0.10 CPU        0 Elapsed addition


 Total:   48 New atoms found



 ----- Addition new atoms done -----

    0.06 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    49 Written to extend:   425

 ----- Extension of coordinates done -----

    0.00 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.056 ( 2.00 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    425 Atoms taken from input file



 Total number of points found:    882
    0.02 CPU        0 Elapsed addition


 Total:   25 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    74 Written to extend:   634

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.056 ( 2.00 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    634 Atoms taken from input file



 Total number of points found:    169
    0.03 CPU        0 Elapsed addition


 Total:    5 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    79 Written to extend:   671

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.055 ( 1.95 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    671 Atoms taken from input file



 Total number of points found:     66
    0.02 CPU        0 Elapsed addition


 Total:    4 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    83 Written to extend:   695

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.054 ( 1.90 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    695 Atoms taken from input file



 Total number of points found:      0
    0.02 CPU        0 Elapsed addition


 Total:    0 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    83 Written to extend:   695

 ----- Extension of coordinates done -----

    0.00 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.052 ( 1.85 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    695 Atoms taken from input file



 Total number of points found:     32
    0.03 CPU        0 Elapsed addition


 Total:    5 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    88 Written to extend:   749

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.051 ( 1.80 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    749 Atoms taken from input file



 Total number of points found:    154
    0.03 CPU        0 Elapsed addition


 Total:    4 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    92 Written to extend:   792

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.049 ( 1.75 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    792 Atoms taken from input file



 Total number of points found:     33
    0.03 CPU        0 Elapsed addition


 Total:    4 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:    96 Written to extend:   833

 ----- Extension of coordinates done -----

    0.00 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.048 ( 1.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    833 Atoms taken from input file



 Total number of points found:    244
    0.03 CPU        0 Elapsed addition


 Total:   10 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   106 Written to extend:   931

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.048 ( 1.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    931 Atoms taken from input file



 Total number of points found:     14
    0.02 CPU        0 Elapsed addition


 Total:    1 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   107 Written to extend:   938

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.046 ( 1.65 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

    938 Atoms taken from input file



 Total number of points found:     81
    0.03 CPU        0 Elapsed addition


 Total:    9 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   116 Written to extend:  1012

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.046 ( 1.65 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1012 Atoms taken from input file



 Total number of points found:    120
    0.03 CPU        0 Elapsed addition


 Total:    1 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   117 Written to extend:  1019

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.045 ( 1.60 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1019 Atoms taken from input file



 Total number of points found:     32
    0.03 CPU        0 Elapsed addition


 Total:    4 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   121 Written to extend:  1051

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.044 ( 1.55 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1051 Atoms taken from input file



 Total number of points found:     87
    0.03 CPU        0 Elapsed addition


 Total:   10 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   131 Written to extend:  1137

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.044 ( 1.55 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1137 Atoms taken from input file



 Total number of points found:     23
    0.04 CPU        0 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   134 Written to extend:  1163

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.042 ( 1.50 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1163 Atoms taken from input file



 Total number of points found:    174
    0.03 CPU        0 Elapsed addition


 Total:   11 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   145 Written to extend:  1257

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.042 ( 1.50 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1257 Atoms taken from input file



 Total number of points found:    184
    0.04 CPU        0 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   148 Written to extend:  1279

 ----- Extension of coordinates done -----

    0.00 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.041 ( 1.45 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1279 Atoms taken from input file



 Total number of points found:    316
    0.05 CPU        0 Elapsed addition


 Total:   14 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   162 Written to extend:  1390

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.041 ( 1.45 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1390 Atoms taken from input file



 Total number of points found:    295
    0.04 CPU        0 Elapsed addition


 Total:    5 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   167 Written to extend:  1424

 ----- Extension of coordinates done -----

    0.01 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.039 ( 1.40 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1424 Atoms taken from input file



 Total number of points found:    104
    0.04 CPU        0 Elapsed addition


 Total:    9 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   176 Written to extend:  1505

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.039 ( 1.40 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1505 Atoms taken from input file



 Total number of points found:    197
    0.04 CPU        1 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   179 Written to extend:  1541

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.038 ( 1.35 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1541 Atoms taken from input file



 Total number of points found:    171
    0.04 CPU        0 Elapsed addition


 Total:   12 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   191 Written to extend:  1627

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.038 ( 1.35 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1627 Atoms taken from input file



 Total number of points found:      0
    0.04 CPU        0 Elapsed addition


 Total:    0 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   191 Written to extend:  1627

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.037 ( 1.30 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1627 Atoms taken from input file



 Total number of points found:    118
    0.03 CPU        0 Elapsed addition


 Total:   15 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   206 Written to extend:  1748

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.037 ( 1.30 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1748 Atoms taken from input file



 Total number of points found:     37
    0.05 CPU        0 Elapsed addition


 Total:    2 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   208 Written to extend:  1766

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.035 ( 1.25 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1766 Atoms taken from input file



 Total number of points found:    418
    0.05 CPU        0 Elapsed addition


 Total:   12 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   220 Written to extend:  1867

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.035 ( 1.25 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1867 Atoms taken from input file



 Total number of points found:    150
    0.04 CPU        0 Elapsed addition


 Total:    4 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   224 Written to extend:  1888

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.034 ( 1.20 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1888 Atoms taken from input file



 Total number of points found:    136
    0.04 CPU        0 Elapsed addition


 Total:   12 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   236 Written to extend:  1988

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.034 ( 1.20 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1988 Atoms taken from input file



 Total number of points found:      0
    0.05 CPU        0 Elapsed addition


 Total:    0 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   236 Written to extend:  1988

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.032 ( 1.15 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   1988 Atoms taken from input file



 Total number of points found:     85
    0.05 CPU        0 Elapsed addition


 Total:    9 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   245 Written to extend:  2058

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.032 ( 1.15 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2058 Atoms taken from input file



 Total number of points found:     35
    0.05 CPU        0 Elapsed addition


 Total:    1 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   246 Written to extend:  2066

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.031 ( 1.10 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2066 Atoms taken from input file



 Total number of points found:    247
    0.05 CPU        0 Elapsed addition


 Total:   19 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   265 Written to extend:  2241

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.031 ( 1.10 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2241 Atoms taken from input file



 Total number of points found:     32
    0.06 CPU        0 Elapsed addition


 Total:    1 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   266 Written to extend:  2253

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.030 ( 1.05 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2253 Atoms taken from input file



 Total number of points found:    103
    0.05 CPU        0 Elapsed addition


 Total:   15 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   281 Written to extend:  2373

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.030 ( 1.05 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2373 Atoms taken from input file



 Total number of points found:    165
    0.06 CPU        1 Elapsed addition


 Total:    4 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   285 Written to extend:  2388

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.028 ( 1.00 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2388 Atoms taken from input file



 Total number of points found:    157
    0.07 CPU        0 Elapsed addition


 Total:   20 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   305 Written to extend:  2544

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.028 ( 1.00 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2544 Atoms taken from input file



 Total number of points found:    286
    0.07 CPU        0 Elapsed addition


 Total:    5 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   310 Written to extend:  2577

 ----- Extension of coordinates done -----

    0.02 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.027 ( 0.95 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2577 Atoms taken from input file



 Total number of points found:    390
    0.07 CPU        0 Elapsed addition


 Total:   24 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   334 Written to extend:  2762

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.027 ( 0.95 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2762 Atoms taken from input file



 Total number of points found:    697
    0.09 CPU        0 Elapsed addition


 Total:   10 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   344 Written to extend:  2839

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.027 ( 0.95 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2839 Atoms taken from input file



 Total number of points found:    476
    0.07 CPU        0 Elapsed addition


 Total:    5 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   349 Written to extend:  2887

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.025 ( 0.90 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   2887 Atoms taken from input file



 Total number of points found:    325
    0.08 CPU        0 Elapsed addition


 Total:   22 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   371 Written to extend:  3072

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.025 ( 0.90 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3072 Atoms taken from input file



 Total number of points found:    453
    0.09 CPU        0 Elapsed addition


 Total:    8 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   379 Written to extend:  3137

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.025 ( 0.90 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3137 Atoms taken from input file



 Total number of points found:    159
    0.09 CPU        0 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   382 Written to extend:  3163

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.024 ( 0.85 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3163 Atoms taken from input file



 Total number of points found:    697
    0.10 CPU        1 Elapsed addition


 Total:   28 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   410 Written to extend:  3383

 ----- Extension of coordinates done -----

    0.04 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.024 ( 0.85 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3383 Atoms taken from input file



 Total number of points found:    438
    0.09 CPU        0 Elapsed addition


 Total:    7 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   417 Written to extend:  3440

 ----- Extension of coordinates done -----

    0.04 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.024 ( 0.85 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3440 Atoms taken from input file



 Total number of points found:    546
    0.09 CPU        0 Elapsed addition


 Total:    9 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   426 Written to extend:  3508

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.024 ( 0.85 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3508 Atoms taken from input file



 Total number of points found:    264
    0.09 CPU        0 Elapsed addition


 Total:    6 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   432 Written to extend:  3557

 ----- Extension of coordinates done -----

    0.04 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.024 ( 0.85 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3557 Atoms taken from input file



 Total number of points found:    288
    0.10 CPU        0 Elapsed addition


 Total:    2 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   434 Written to extend:  3581

 ----- Extension of coordinates done -----

    0.03 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.023 ( 0.80 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3581 Atoms taken from input file



 Total number of points found:    221
    0.11 CPU        0 Elapsed addition


 Total:   27 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   461 Written to extend:  3820

 ----- Extension of coordinates done -----

    0.04 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.023 ( 0.80 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3820 Atoms taken from input file



 Total number of points found:    201
    0.11 CPU        0 Elapsed addition


 Total:    5 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   466 Written to extend:  3862

 ----- Extension of coordinates done -----

    0.04 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.021 ( 0.75 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   3862 Atoms taken from input file



 Total number of points found:    497
    0.11 CPU        1 Elapsed addition


 Total:   32 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   498 Written to extend:  4134

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.021 ( 0.75 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4134 Atoms taken from input file



 Total number of points found:    507
    0.11 CPU        0 Elapsed addition


 Total:    9 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   507 Written to extend:  4206

 ----- Extension of coordinates done -----

    0.04 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.021 ( 0.75 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4206 Atoms taken from input file



 Total number of points found:    290
    0.12 CPU        0 Elapsed addition


 Total:    7 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   514 Written to extend:  4244

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.021 ( 0.75 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4244 Atoms taken from input file



 Total number of points found:    263
    0.11 CPU        0 Elapsed addition


 Total:    8 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   522 Written to extend:  4301

 ----- Extension of coordinates done -----

    0.04 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.021 ( 0.75 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4301 Atoms taken from input file



 Total number of points found:    238
    0.11 CPU        0 Elapsed addition


 Total:    5 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   527 Written to extend:  4340

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.020 ( 0.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4340 Atoms taken from input file



 Total number of points found:    859
    0.12 CPU        0 Elapsed addition


 Total:   48 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   575 Written to extend:  4702

 ----- Extension of coordinates done -----

    0.06 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.020 ( 0.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4702 Atoms taken from input file



 Total number of points found:    883
    0.12 CPU        1 Elapsed addition


 Total:   20 New atoms found



 ----- Addition new atoms done -----

    0.02 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   595 Written to extend:  4834

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.020 ( 0.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4834 Atoms taken from input file



 Total number of points found:   1026
    0.12 CPU        0 Elapsed addition


 Total:   20 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   615 Written to extend:  4971

 ----- Extension of coordinates done -----

    0.06 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.020 ( 0.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   4971 Atoms taken from input file



 Total number of points found:    958
    0.12 CPU        0 Elapsed addition


 Total:   18 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   633 Written to extend:  5111

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.020 ( 0.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   5111 Atoms taken from input file



 Total number of points found:    194
    0.13 CPU        0 Elapsed addition


 Total:    9 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   642 Written to extend:  5192

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.020 ( 0.70 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   5192 Atoms taken from input file



 Total number of points found:     98
    0.14 CPU        0 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   645 Written to extend:  5221

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.018 ( 0.65 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   5221 Atoms taken from input file



 Total number of points found:    264
    0.14 CPU        1 Elapsed addition


 Total:   37 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   682 Written to extend:  5512

 ----- Extension of coordinates done -----

    0.05 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.018 ( 0.65 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   5512 Atoms taken from input file



 Total number of points found:    247
    0.14 CPU        0 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   685 Written to extend:  5532

 ----- Extension of coordinates done -----

    0.06 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.017 ( 0.60 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   5532 Atoms taken from input file



 Total number of points found:    440
    0.16 CPU        0 Elapsed addition


 Total:   35 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   720 Written to extend:  5806

 ----- Extension of coordinates done -----

    0.07 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.017 ( 0.60 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   5806 Atoms taken from input file



 Total number of points found:    308
    0.15 CPU        0 Elapsed addition


 Total:    2 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   722 Written to extend:  5821

 ----- Extension of coordinates done -----

    0.06 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.015 ( 0.55 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   5821 Atoms taken from input file



 Total number of points found:    333
    0.17 CPU        0 Elapsed addition


 Total:   42 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   764 Written to extend:  6125

 ----- Extension of coordinates done -----

    0.07 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.015 ( 0.55 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   6125 Atoms taken from input file



 Total number of points found:     72
    0.17 CPU        1 Elapsed addition


 Total:    1 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   765 Written to extend:  6133

 ----- Extension of coordinates done -----

    0.06 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.014 ( 0.50 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   6133 Atoms taken from input file



 Total number of points found:    331
    0.18 CPU        0 Elapsed addition


 Total:   42 New atoms found



 ----- Addition new atoms done -----

    0.02 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   807 Written to extend:  6442

 ----- Extension of coordinates done -----

    0.06 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.014 ( 0.50 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   6442 Atoms taken from input file



 Total number of points found:     60
    0.19 CPU        0 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   810 Written to extend:  6457

 ----- Extension of coordinates done -----

    0.07 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.013 ( 0.45 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   6457 Atoms taken from input file



 Total number of points found:    404
    0.20 CPU        0 Elapsed addition


 Total:   48 New atoms found



 ----- Addition new atoms done -----

    0.00 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   858 Written to extend:  6848

 ----- Extension of coordinates done -----

    0.08 CPU        1 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.013 ( 0.45 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   6848 Atoms taken from input file



 Total number of points found:     94
    0.20 CPU        0 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   861 Written to extend:  6874

 ----- Extension of coordinates done -----

    0.07 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.011 ( 0.40 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   6874 Atoms taken from input file



 Total number of points found:    445
    0.22 CPU        0 Elapsed addition


 Total:   48 New atoms found



 ----- Addition new atoms done -----

    0.02 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   909 Written to extend:  7308

 ----- Extension of coordinates done -----

    0.07 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.011 ( 0.40 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   7308 Atoms taken from input file



 Total number of points found:    168
    0.24 CPU        0 Elapsed addition


 Total:    8 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   917 Written to extend:  7383

 ----- Extension of coordinates done -----

    0.07 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.011 ( 0.40 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   7383 Atoms taken from input file



 Total number of points found:     84
    0.23 CPU        1 Elapsed addition


 Total:    3 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 WARNING: Unit    46 was already in use. Closing unit   46

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

   Extend box limits (fract):
 -0.02  0.27
 -0.02  0.77
 -0.02  0.69

 Atoms with non-zero occupancy read:   920 Written to extend:  7413

 ----- Extension of coordinates done -----

    0.08 CPU        0 Elapsed extension

 WARNING: Unit    47 was already in use. Closing unit   47

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134

 Input map limits:
 Grid Fast   Y     0   144
 Grid Medium X     0    48
 Grid Slow   Z     0   128



 Input to a new atom search routine:
   Density threshold:        0.010 ( 0.35 sigmas )
   Distance limits:          1.350   1.800
   Close contact distance:   1.350
   Number of new atoms:         48
   New atom residue name:      DUM
   New atom name:             DUM

 Density map will be multiplied by    1.00

   7413 Atoms taken from input file



 Total number of points found:    684
    0.25 CPU        0 Elapsed addition


 Total:   48 New atoms found



 ----- Addition new atoms done -----

    0.01 CPU        0 Elapsed addition and sorting

 Opening file: /tmp/phzwart/phzwart_arp_warp_AR983419.MD1.10134

 For Model #1   968 atoms are selected first

 Opening file: /net/cci-filer1/vol1/home/phzwart/Banu/Betty/latest_data/acorn/13_mir_model_1.pdb

 As no non-WAT atoms are there in the model,
 the output will be placed into the asymmetric unit

    364 atoms written to output
      0 of these are with zero occupancy

    0.02 CPU        0 Elapsed end

 Removing scratch file /tmp/phzwart/phzwart_arp_warp_AR983419.UN1.10134

 Removing scratch file /tmp/phzwart/phzwart_arp_warp_AR983419.EX1.10134

 Removing scratch file /tmp/phzwart/phzwart_arp_warp_AR983419.WS1.10134