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 UNIVERSITY OF HOUSTON BROWNIAN DYNAMICS  (Release experimental)

   AUTHORS                 : Jeffry Madura
                           : Malcolm Davis
                           : Rebecca Wade
                           : Brock Luty
                           : Michael Gilson
                           : Jan Antosiewicz

   date/time               : 29-Sep- 100  10:26:20 CST


 CURRENT MAXIMUM PROGRAM DIMENSIONS     
   Maximum Number of Atoms                           :     30000
   Maximum Grid Size                                 :       200^3 
   Maximum Number of Subunits                        :        40
   Maximum Entries in Atomic Database                :      1500
   Maximum Equivalences in Atomic Database           :      1000
   Maximum Number of Runs                            :      1000
   Maximum Number of Reaction Sites                  :        40
   Maximum Number of Criteria per Reaction Site      :        10
   Maximum Number of Columns in an Atomic Database   :        16
   Maximum Number of Diffusing Units                 :         5
   Maximum Number of Diffusing Subunits              :        15
   Maximum Number of Distance Constraints            :        30
   Maximum Number of Molecules                       :        50
   Maximum Number of Time Step Regions               :         5
   Maximum Number of Time Steps for Correlation Func.:        11
   Maximum Number of Bins for Dihedral Distributions :       360
   Maximum Number of Trajectories for Analysis       :         1
   Maximum Number of Traj. Files to be Concatenated  :        10
   Maximum Number of User Variables                  :      1500
   Maximum Number of Atom Neighbors                  :       300
   Maximum Number of Surface Points per Atom         :      5000
   Maximum Number of S+R Surface Points              :    200000
   Maximum Number of Elements in the C{eval} Stack  :        20
   Maximum Number of Blocks for Gaussian Random #s   :      1000
   Maximum Vector length for Vector Processor        :      1024
   Maximum Number of 1-2 and 1-3 Atom Exclusions     :        20
   Maximum Number of 1-4 Interactions per Atom       :        40
   Maximum Number of Bond+Nonbond Interact. per Atom :        20
   Maximum Number of Bonds                           :      6000
   Maximum Number of Angles                          :      6000
   Maximum Number of Dihedrals                       :      6000
   Maximum Size of the Nonbonded List                :    100000


Main >  !
Main >  ! Compute the binding energy of p-aminobenzensulfonamide to
Main >  ! the active site of human carbonic anhydrase. This example
Main >  ! illustrates the use of focusing and the ability of UHBD to
Main >  ! handle mathematical operations specified by the user in
Main >  ! the input stream (see the assign statements below).
Main >  !
Main >  ! Files: bindf.inp - this file
Main >  !        bindf1.qcd - coords for HCA with charges and radii
Main >  !        bindf2.qcd - coords for substrate with charges and radii
Main >  !        bindf.out.orig - original output file for comparison with
Main >  !                         the one created on your machine.
Main >  !
Main >  
Main >  !
Main >  ! read in the coords., charges, and radii in CHARMM qcard
Main >  ! format
Main >  !
Main >  read mol 1 file "bindf1.qcd" qcard end ! HCA

 READ MODULE
 READ COORDINATES
   Molecule number                                   :         1
   Coordinate file                                   :bindf1.qcd          
   File format                                       :qcard format        
Total Net Charge for molecule  1 =    0.99998
   Atoms read                                        :      2482


Main >  read mol 2 file "bindf2.qcd" qcard end ! p-aminobenzensulfonamide

 READ MODULE
 READ COORDINATES
   Molecule number                                   :         2
   Coordinate file                                   :bindf2.qcd          
   File format                                       :qcard format        
Total Net Charge for molecule  2 =   -1.00000
   Atoms read                                        :        18


Main >  
Main >  !
Main >  ! Regular Runs:
Main >  !               compute the potential on a coarse grid for
Main >  !               molecule 1
Main >  !
Main >  
Main >  elec calc mol 1
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie  78.00                          ! solvent  dielectric=78
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   2                             ! boundary condition - each atom
Elec >                                        ! is a Debye-Huckel sphere
Elec >   efld    .00                          ! external electric field
Elec >   grid   1.50                          ! grid spacing
Elec >   dime   60  60  60                    ! grid dimension
Elec >   center                               ! center the grid on the molecule
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid located by   (gcen,gcor,cent,same orig,gori) :  centering on atoms
   Grid origin (range (min,max))                     :   -55.470  A        34.530  A
                                                         -47.420  A        42.580  A
                                                         -29.765  A        60.235  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     1.500  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         2
     - sum of atoms as independent DH spheres
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :    78.000
   Solvent permittivity                              :0.4468E-04 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2482
   X-coordinate of the center of geometry            :    -9.720    A
   Y-coordinate of the center of geometry            :    -1.670    A
   Z-coordinate of the center of geometry            :    15.985    A
   Net charge of the selected atoms                  :     1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        78
   Norm of the constant vector                       :0.2654E+03
   Norm of the residual vector                       :0.2402E-03
   Convergence achieved                              :0.9049E-06
Main >  
Main >  print elec phizero mol1 end           ! zero out the phisite accumulator

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phisave mol1 end           ! compute and store phi at atoms on grid

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  
Main >  !
Main >  !               compute the potential on a fine grid
Main >  !               molecule 1 using the coarse grid to set the
Main >  !               boundary potentials for this grid.
Main >  !
Main >  
Main >  elec calc mol 1
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie  78.00                          ! solvent  dielectric=78
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   4                             ! focusing - use the coarse grid to
Elec >                                        ! set the boundary potential of this
Elec >                                        ! focused grid.
Elec >   efld    .00                          ! external electric field
Elec >   grid   0.225                         ! spacing for focused grid
Elec >   dime   60  60  60                    ! grid dimension
Elec >   mcenter 2
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid origin (range (min,max))                     :   -12.531  A         0.968  A
                                                          -2.685  A        10.815  A
                                                           8.126  A        21.626  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     0.225  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         4
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :    78.000
   Solvent permittivity                              :0.4468E-04 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2482
   X-coordinate of the center of geometry            :    -9.720    A
   Y-coordinate of the center of geometry            :    -1.670    A
   Z-coordinate of the center of geometry            :    15.985    A
   Net charge of the selected atoms                  :     1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :       105
   Norm of the constant vector                       :0.4189E+03
   Norm of the residual vector                       :0.3733E-03
   Convergence achieved                              :0.8913E-06
Main >  
Main >  print elec phisave mol1 end

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phiwrite mol1 end          ! write the phisite potentials to the outp

 PRINT MODULE     
 PRINTING ELECTROSTATICS
   Electrostatic Potential
          Atom    Residue         X       Y       Z       Q      Potential
PHI       1 n    his     1      10.610  -0.430   7.576  -0.300  0.31836184E+02
PHI       2 ht1  his     1      11.196   0.268   7.074   0.350  0.14524834E+02
PHI       3 ht2  his     1       9.869  -0.784   6.938   0.350  0.19326719E+02
PHI       4 ht3  his     1      11.206  -1.223   7.888   0.350  0.22742147E+02
PHI       5 ca   his     1       9.977   0.215   8.765   0.200  0.33411320E+02
PHI       6 cb   his     1       9.078   1.406   8.330   0.000  0.17895552E+02
PHI       7 cg   his     1       9.830   2.698   8.556   0.100  0.38407154E+01
PHI       8 nd1  his     1       9.886   3.326   9.810  -0.400  -.32572865E+01
PHI       9 hd1  his     1       9.466   3.000  10.633   0.300  0.70683751E+01
PHI      10 cd2  his     1      10.517   3.489   7.722   0.100  0.97003613E+01
PHI      11 ne2  his     1      11.009   4.553   8.454  -0.400  -.56503272E+01
PHI      12 ce1  his     1      10.607   4.441   9.694   0.300  -.10327153E+01
PHI      13 c    his     1       9.219  -0.808   9.576   0.600  0.48903027E+02
PHI      14 o    his     1       9.347  -2.027   9.302  -0.550  -.22406700E+02
PHI      15 n    trp     2       8.487  -0.326  10.585  -0.400  0.17753065E+02
PHI      16 h    trp     2       8.517   0.629  10.856   0.250  0.18435585E+02
PHI      17 ca   trp     2       7.741  -1.301  11.379   0.100  0.16681391E+02
PHI      18 cb   trp     2       7.152  -0.640  12.639   0.000  0.80636845E+01
PHI      19 cg   trp     2       6.120   0.423  12.319  -0.030  0.73476976E+00
PHI      20 cd2  trp     2       4.687   0.265  12.276   0.100  0.80585270E+01
PHI      21 ce2  trp     2       4.130   1.546  11.940  -0.040  -.10106876E+02
PHI      22 ce3  trp     2       3.838  -0.844  12.485  -0.030  0.18326982E+01
PHI      23 cd1  trp     2       6.350   1.775  12.008   0.060  -.77541504E+01
PHI      24 ne1  trp     2       5.185   2.444  11.783  -0.360  -.12534567E+02
PHI      25 he1  trp     2       5.087   3.378  11.482   0.300  0.17007421E+01
PHI      26 cz2  trp     2       2.730   1.687  11.824   0.000  -.31684666E+01
PHI      27 cz3  trp     2       2.441  -0.687  12.366   0.000  -.28890770E-01
PHI      28 ch2  trp     2       1.891   0.572  12.038   0.000  -.40041968E+00
PHI      29 c    trp     2       6.704  -2.016  10.532   0.600  0.17176222E+02
PHI      30 o    trp     2       6.272  -1.478   9.525  -0.550  -.28419954E+02
PHI      31 n    gly     3       6.396  -3.237  10.965  -0.400  0.87074966E+01
PHI      32 h    gly     3       6.844  -3.517  11.812   0.250  0.27721431E+01
PHI      33 ca   gly     3       5.453  -4.173  10.373   0.100  0.51668682E+01
PHI      34 c    gly     3       5.133  -5.289  11.335   0.600  0.11315978E+02
PHI      35 o    gly     3       5.180  -5.111  12.550  -0.550  -.10632801E+02
PHI      36 n    tyr     4       4.839  -6.482  10.792  -0.400  -.47087717E+01
PHI      37 h    tyr     4       4.783  -6.632   9.805   0.250  -.48158124E+00
PHI      38 ca   tyr     4       4.563  -7.604  11.701   0.100  0.56593161E+01
PHI      39 cb   tyr     4       3.117  -8.082  11.561   0.000  0.28720312E+01
PHI      40 cg   tyr     4       2.175  -7.129  12.254   0.000  0.18793057E+01
PHI      41 cd1  tyr     4       1.629  -6.055  11.525   0.000  0.31606991E+01
PHI      42 ce1  tyr     4       0.704  -5.212  12.156   0.000  0.72368250E+01
PHI      43 cd2  tyr     4       1.861  -7.353  13.611   0.000  0.15564175E+01
PHI      44 ce2  tyr     4       0.933  -6.510  14.243   0.000  0.28404181E+01
PHI      45 cz   tyr     4       0.341  -5.476  13.491   0.250  0.80936985E+01
PHI      46 oh   tyr     4      -0.662  -4.708  14.046  -0.650  -.46472626E+01
PHI      47 hh   tyr     4      -1.370  -5.298  14.339   0.400  0.10300970E+02
PHI      48 c    tyr     4       5.493  -8.808  11.610   0.600  0.15004821E+01
PHI      49 o    tyr     4       5.362  -9.795  12.315  -0.550  -.43214539E+02
PHI      50 n    gly     5       6.478  -8.709  10.703  -0.400  -.41006789E+01
PHI      51 h    gly     5       6.782  -7.787  10.463   0.250  -.93025312E+01
PHI      52 ca   gly     5       7.326  -9.889  10.392   0.100  0.27992409E+02
PHI      53 c    gly     5       8.277 -10.159  11.525   0.600  0.96207075E+01
PHI      54 o    gly     5       8.301  -9.430  12.563  -0.550  -.10995763E+02
PHI      55 n    lys     6       9.128 -11.197  11.327  -0.400  0.54256696E+00
PHI      56 h    lys     6       9.107 -11.710  10.469   0.250  0.19472407E+01
PHI      57 ca   lys     6      10.081 -11.543  12.414   0.100  0.19916403E+02
PHI      58 cb   lys     6      10.880 -12.845  12.195   0.000  0.88681288E+01
PHI      59 cg   lys     6      11.098 -13.428  13.623   0.000  0.11540673E+01
PHI      60 cd   lys     6      11.930 -14.633  13.774   0.000  0.82194376E+01
PHI      61 ce   lys     6      11.843 -15.247  15.204   0.250  0.28190275E+02
PHI      62 nz   lys     6      12.715 -16.480  15.228  -0.300  0.32356171E+02
PHI      63 hz1  lys     6      13.654 -16.248  14.845   0.350  0.23808857E+02
PHI      64 hz2  lys     6      12.278 -17.225  14.648   0.350  0.19860134E+02
PHI      65 hz3  lys     6      12.813 -16.816  16.207   0.350  0.12765732E+02
PHI      66 c    lys     6      11.132 -10.475  12.602   0.600  0.89174681E+01
PHI      67 o    lys     6      11.685 -10.339  13.697  -0.550  -.49180111E+02
PHI      68 n    his     7      11.399  -9.718  11.586  -0.400  0.15983537E+02
PHI      69 h    his     7      10.898  -9.856  10.732   0.250  0.25820889E+02
PHI      70 ca   his     7      12.418  -8.674  11.680   0.100  0.21688784E+02
PHI      71 cb   his     7      13.391  -8.699  10.443   0.000  0.79768496E+01
PHI      72 cg   his     7      14.184  -9.976  10.410   0.100  0.77759719E+01
PHI      73 nd1  his     7      14.017 -11.020   9.517  -0.400  -.21343758E+01
PHI      74 hd1  his     7      13.360 -11.031   8.791   0.300  -.15769595E+00
PHI      75 cd2  his     7      15.184 -10.395  11.243   0.100  -.27743690E+01
PHI      76 ne2  his     7      15.586 -11.627  10.807  -0.400  -.30291645E+02
PHI      77 ce1  his     7      14.863 -11.999   9.776   0.300  -.49772878E+01
PHI      78 c    his     7      11.869  -7.321  11.985   0.600  0.18845076E+02
PHI      79 o    his     7      12.663  -6.520  12.372  -0.550  -.33637903E+01
PHI      80 n    asn     8      10.560  -6.995  11.893  -0.400  -.29783113E+02
PHI      81 h    asn     8       9.911  -7.699  11.604   0.250  -.75667562E+01
PHI      82 ca   asn     8      10.069  -5.622  12.210   0.100  0.26631161E+02
PHI      83 cb   asn     8       9.898  -4.873  10.860   0.000  0.21099070E+02
PHI      84 cg   asn     8       8.925  -5.664   9.960   0.550  0.22904142E+02
PHI      85 od1  asn     8       8.493  -6.738  10.324  -0.550  -.18692850E+02
PHI      86 nd2  asn     8       8.628  -5.090   8.806  -0.600  0.80901909E+01
PHI      87 hd21 asn     8       9.030  -4.204   8.575   0.300  0.93667870E+01
PHI      88 hd22 asn     8       8.006  -5.526   8.156   0.300  0.61669569E+01
PHI      89 c    asn     8       8.769  -5.606  13.003   0.600  0.36718582E+02
PHI      90 o    asn     8       8.112  -4.529  13.122  -0.550  -.25578673E+01
PHI      91 n    gly     9       8.433  -6.698  13.584  -0.400  -.22702434E+01
PHI      92 h    gly     9       9.112  -7.397  13.426   0.250  -.17765096E+01
PHI      93 ca   gly     9       7.380  -7.170  14.373   0.100  0.10921397E+02
PHI      94 c    gly     9       7.229  -6.476  15.732   0.600  0.22555769E+02
PHI      95 o    gly     9       8.136  -5.695  16.045  -0.550  -.71828947E+01
PHI      96 n    pro    10       6.120  -6.727  16.397  -0.250  -.47037835E+01
PHI      97 cd   pro    10       5.030  -7.658  16.022   0.100  0.33981218E+01
PHI      98 ca   pro    10       5.857  -6.073  17.679   0.100  0.14541721E+02
PHI      99 cb   pro    10       4.506  -6.692  18.121   0.000  0.85835867E+01
PHI     100 cg   pro    10       3.871  -7.257  16.910   0.000  0.39927719E+01
PHI     101 c    pro    10       6.986  -6.126  18.656   0.600  0.11178611E+02
PHI     102 o    pro    10       7.107  -5.111  19.414  -0.550  -.17744846E+02
PHI     103 n    glu    11       7.795  -7.172  18.656  -0.400  0.12972329E+02
PHI     104 h    glu    11       7.630  -7.882  17.973   0.250  0.11776675E+02
PHI     105 ca   glu    11       8.890  -7.343  19.577   0.100  0.28155779E+02
PHI     106 cb   glu    11       9.365  -8.819  19.582   0.000  0.66390185E+01
PHI     107 cg   glu    11      10.024  -9.346  18.363   0.000  -.64852843E+01
PHI     108 cd   glu    11       9.366  -9.919  17.144   0.140  -.49694809E+02
PHI     109 oe1  glu    11      10.082 -10.698  16.369  -0.570  -.42271538E+02
PHI     110 oe2  glu    11       8.153  -9.607  16.954  -0.570  -.48158936E+02
PHI     111 c    glu    11      10.042  -6.401  19.370   0.600  0.12936711E+02
PHI     112 o    glu    11      10.933  -6.221  20.177  -0.550  0.40294290E+00
PHI     113 n    his    12      10.016  -5.707  18.216  -0.400  -.53809614E+01
PHI     114 h    his    12       9.245  -5.874  17.603   0.250  0.15502469E+00
PHI     115 ca   his    12      11.011  -4.751  17.808   0.100  0.18369160E+02
PHI     116 cb   his    12      11.350  -5.022  16.272   0.000  0.11451580E+02
PHI     117 cg   his    12      12.105  -6.274  16.037   0.100  0.64511056E+01
PHI     118 nd1  his    12      13.487  -6.407  16.051  -0.400  -.50949731E+01
PHI     119 hd1  his    12      14.106  -5.672  16.237   0.300  0.16714796E+02
PHI     120 cd2  his    12      11.646  -7.568  15.770   0.100  -.10943032E+02
PHI     121 ne2  his    12      12.744  -8.327  15.619  -0.400  -.26510717E+02
PHI     122 ce1  his    12      13.857  -7.611  15.790   0.300  -.11862083E+02
PHI     123 c    his    12      10.584  -3.331  17.877   0.600  0.39120018E+02
PHI     124 o    his    12      11.436  -2.405  17.750  -0.550  -.20099318E+02
PHI     125 n    trp    13       9.273  -3.116  18.067  -0.400  0.10670515E+02
PHI     126 h    trp    13       8.656  -3.893  18.186   0.250  0.20748207E+02
PHI     127 ca   trp    13       8.760  -1.742  17.950   0.100  0.15588331E+02
PHI     128 cb   trp    13       7.243  -1.701  18.177   0.000  0.90264721E+01
PHI     129 cg   trp    13       6.435  -2.397  17.097  -0.030  0.32506924E+01
PHI     130 cd2  trp    13       5.030  -2.729  17.159   0.100  0.53908606E+01
PHI     131 ce2  trp    13       4.677  -3.342  15.911  -0.040  -.49300156E+01
PHI     132 ce3  trp    13       4.048  -2.555  18.157  -0.030  0.44299669E+01
PHI     133 cd1  trp    13       6.851  -2.830  15.824   0.060  -.63778620E+01
PHI     134 ne1  trp    13       5.822  -3.388  15.129  -0.360  -.21172245E+02
PHI     135 he1  trp    13       5.865  -3.797  14.225   0.300  0.40641794E+01
PHI     136 cz2  trp    13       3.352  -3.766  15.680   0.000  -.17516639E+01
PHI     137 cz3  trp    13       2.727  -2.983  17.911   0.000  0.30116193E+01
PHI     138 ch2  trp    13       2.378  -3.584  16.682   0.000  0.24023607E+01
PHI     139 c    trp    13       9.416  -0.713  18.872   0.600  0.29523899E+02
PHI     140 o    trp    13       9.665   0.430  18.513  -0.550  -.16888901E+02
PHI     141 n    his    14       9.668  -1.205  20.101  -0.400  0.17981976E+02
PHI     142 h    his    14       9.560  -2.191  20.226   0.250  0.14773686E+02
PHI     143 ca   his    14      10.205  -0.383  21.206   0.100  0.25935455E+02
PHI     144 cb   his    14      10.442  -1.182  22.492   0.000  0.11968533E+02
PHI     145 cg   his    14      11.595  -2.154  22.330   0.100  0.18880669E+01
PHI     146 nd1  his    14      12.836  -1.900  22.812  -0.400  0.25975957E+01
PHI     147 hd1  his    14      13.097  -1.095  23.306   0.300  0.60368629E+01
PHI     148 cd2  his    14      11.666  -3.345  21.726   0.100  -.23730247E+01
PHI     149 ne2  his    14      13.006  -3.788  21.858  -0.400  -.14948847E+02
PHI     150 ce1  his    14      13.637  -2.902  22.514   0.300  0.15142379E+01
PHI     151 c    his    14      11.423   0.431  20.821   0.600  0.20874796E+02
PHI     152 o    his    14      11.609   1.508  21.363  -0.550  -.14410223E+02
PHI     153 n    lys    15      12.237  -0.013  19.909  -0.400  0.10798726E+02
PHI     154 h    lys    15      12.000  -0.884  19.481   0.250  0.23834578E+02
PHI     155 ca   lys    15      13.453   0.652  19.467   0.100  0.20116301E+02
PHI     156 cb   lys    15      14.086  -0.372  18.468   0.000  0.10214187E+02
PHI     157 cg   lys    15      14.852  -1.385  19.364   0.000  0.62905397E+01
PHI     158 cd   lys    15      15.543  -2.458  18.601   0.000  0.14010530E+02
PHI     159 ce   lys    15      14.590  -3.266  17.787   0.250  0.21596355E+02
PHI     160 nz   lys    15      15.382  -4.149  16.843  -0.300  0.35882027E+02
PHI     161 hz1  lys    15      15.583  -5.058  17.306   0.350  0.24648441E+02
PHI     162 hz2  lys    15      16.277  -3.679  16.598   0.350  0.31184565E+02
PHI     163 hz3  lys    15      14.829  -4.315  15.978   0.350  0.22656895E+02
PHI     164 c    lys    15      13.168   1.998  18.847   0.600  0.20226833E+02
PHI     165 o    lys    15      13.870   2.972  19.170  -0.550  -.49304781E+01
PHI     166 n    asp    16      12.126   2.043  18.040  -0.400  -.19231190E+02
PHI     167 h    asp    16      11.609   1.201  17.886   0.250  -.14754245E+01
PHI     168 ca   asp    16      11.708   3.273  17.371   0.100  0.12235965E+02
PHI     169 cb   asp    16      11.375   3.145  15.908   0.000  -.43189616E+01
PHI     170 cg   asp    16      12.531   2.914  14.985   0.140  -.39913891E+02
PHI     171 od1  asp    16      13.452   3.729  14.841  -0.570  -.72169250E+02
PHI     172 od2  asp    16      12.495   1.841  14.341  -0.570  -.37810509E+02
PHI     173 c    asp    16      10.575   3.969  18.141   0.600  0.42327557E+02
PHI     174 o    asp    16      10.539   5.219  17.924  -0.550  -.42230659E+02
PHI     175 n    phe    17       9.875   3.229  18.967  -0.400  0.26886074E+02
PHI     176 h    phe    17      10.086   2.255  19.044   0.250  0.20169180E+02
PHI     177 ca   phe    17       8.768   3.830  19.791   0.100  0.21117113E+02
PHI     178 cb   phe    17       7.412   3.515  19.097   0.000  0.79800406E+01
PHI     179 cg   phe    17       7.308   3.817  17.655   0.000  0.32061677E+01
PHI     180 cd1  phe    17       6.948   5.146  17.254   0.000  0.13915781E+01
PHI     181 cd2  phe    17       7.601   2.842  16.677   0.000  0.24725475E+01
PHI     182 ce1  phe    17       6.855   5.414  15.864   0.000  0.12393003E+01
PHI     183 ce2  phe    17       7.556   3.178  15.299   0.000  0.14494984E+01
PHI     184 cz   phe    17       7.200   4.485  14.917   0.000  0.12122896E+01
PHI     185 c    phe    17       8.828   3.316  21.215   0.600  0.65108940E+02
PHI     186 o    phe    17       8.168   2.346  21.554  -0.550  -.78089271E+01
PHI     187 n    pro    18       9.654   3.913  22.060  -0.250  0.29982389E+02
PHI     188 cd   pro    18      10.591   5.019  21.742   0.100  0.14610849E+02
PHI     189 ca   pro    18       9.892   3.493  23.424   0.100  0.29750885E+02
PHI     190 cb   pro    18      10.961   4.429  24.015   0.000  0.10573138E+02
PHI     191 cg   pro    18      10.930   5.640  23.100   0.000  0.60000172E+01
PHI     192 c    pro    18       8.656   3.399  24.273   0.600  0.62525501E+02
PHI     193 o    pro    18       8.689   2.658  25.270  -0.550  -.55794792E+01
PHI     194 n    ile    19       7.621   4.131  23.883  -0.400  0.13124793E+02
PHI     195 h    ile    19       7.721   4.714  23.077   0.250  0.12213758E+02
PHI     196 ca   ile    19       6.349   4.099  24.605   0.100  0.30417295E+02
PHI     197 cb   ile    19       5.329   5.186  24.046   0.000  0.92432566E+01
PHI     198 cg2  ile    19       4.718   4.761  22.705   0.000  0.30298338E+01
PHI     199 cg1  ile    19       4.283   5.446  25.133   0.000  -.10972321E+01
PHI     200 cd1  ile    19       3.311   6.631  24.799   0.000  -.46407652E+00
PHI     201 c    ile    19       5.781   2.700  24.573   0.600  0.27354057E+02
PHI     202 o    ile    19       4.854   2.420  25.311  -0.550  -.25372429E+02
PHI     203 n    ala    20       6.338   1.852  23.672  -0.400  0.20637451E+02
PHI     204 h    ala    20       7.079   2.202  23.100   0.250  0.91839628E+01
PHI     205 ca   ala    20       5.919   0.492  23.504   0.100  0.33837337E+02
PHI     206 cb   ala    20       6.840  -0.324  22.593   0.000  0.94495153E+01
PHI     207 c    ala    20       5.925  -0.278  24.854   0.600  0.26153101E+02
PHI     208 o    ala    20       5.186  -1.246  24.974  -0.550  -.29181855E+01
PHI     209 n    lys    21       6.833   0.196  25.718  -0.400  0.77331023E+01
PHI     210 h    lys    21       7.416   0.961  25.444   0.250  0.52638559E+01
PHI     211 ca   lys    21       6.971  -0.401  27.053   0.100  0.20597467E+02
PHI     212 cb   lys    21       8.494  -0.594  27.312   0.000  0.95585966E+01
PHI     213 cg   lys    21       9.150  -1.270  26.121   0.000  0.62830696E+01
PHI     214 cd   lys    21      10.319  -2.190  26.517   0.000  0.12260183E+02
PHI     215 ce   lys    21      10.067  -3.485  25.660   0.250  0.26041574E+02
PHI     216 nz   lys    21      11.146  -4.472  25.796  -0.300  0.35340294E+02
PHI     217 hz1  lys    21      11.229  -4.760  26.792   0.350  0.13911651E+02
PHI     218 hz2  lys    21      12.043  -4.051  25.481   0.350  0.41029217E+02
PHI     219 hz3  lys    21      10.930  -5.305  25.211   0.350  0.20813978E+02
PHI     220 c    lys    21       6.361   0.436  28.115   0.600  0.22280748E+02
PHI     221 o    lys    21       6.770   0.392  29.325  -0.550  -.38861971E+01
PHI     222 n    gly    22       5.400   1.273  27.780  -0.400  0.13295247E+02
PHI     223 h    gly    22       5.132   1.271  26.819   0.250  0.49464178E+01
PHI     224 ca   gly    22       4.696   2.194  28.666   0.100  0.23899105E+02
PHI     225 c    gly    22       3.787   1.426  29.665   0.600  -.27406132E+00
PHI     226 o    gly    22       3.654   0.250  29.610  -0.550  -.51416078E+01
PHI     227 n    glu    23       3.126   2.165  30.484  -0.400  -.16274906E+02
PHI     228 h    glu    23       3.273   3.138  30.344   0.250  0.24427042E+01
PHI     229 ca   glu    23       2.231   1.851  31.544   0.100  0.16179443E+02
PHI     230 cb   glu    23       2.192   3.016  32.587   0.000  0.24537613E+01
PHI     231 cg   glu    23       3.502   3.353  33.309   0.000  -.11111368E+02
PHI     232 cd   glu    23       4.076   2.226  34.132   0.140  -.51132359E+02
PHI     233 oe1  glu    23       3.618   1.604  35.127  -0.570  -.36502357E+02
PHI     234 oe2  glu    23       5.161   1.949  33.602  -0.570  -.50626709E+02
PHI     235 c    glu    23       0.780   1.670  31.154   0.600  0.26173506E+01
PHI     236 o    glu    23      -0.002   1.153  31.973  -0.550  -.32991096E+02
PHI     237 n    arg    24       0.431   2.093  29.928  -0.400  -.68307600E+01
PHI     238 h    arg    24       1.101   2.515  29.318   0.250  -.36041382E+00
PHI     239 ca   arg    24      -1.003   1.900  29.527   0.100  0.16528759E+02
PHI     240 cb   arg    24      -1.799   3.124  29.813   0.000  0.85487738E+01
PHI     241 cg   arg    24      -1.595   4.471  29.208   0.000  0.22482846E+01
PHI     242 cd   arg    24      -2.714   5.407  29.483   0.100  0.24257250E+01
PHI     243 ne   arg    24      -3.882   5.409  28.633  -0.400  0.67032394E+01
PHI     244 he   arg    24      -4.068   4.631  28.033   0.300  0.79742718E+01
PHI     245 cz   arg    24      -4.737   6.455  28.635   0.500  0.43916679E+02
PHI     246 nh1  arg    24      -4.610   7.555  29.467  -0.450  0.18081457E+02
PHI     247 hh11 arg    24      -3.850   7.606  30.115   0.350  0.10918127E+02
PHI     248 hh12 arg    24      -5.278   8.298  29.419   0.350  0.10549139E+02
PHI     249 nh2  arg    24      -5.727   6.464  27.826  -0.450  0.22741995E+02
PHI     250 hh21 arg    24      -5.865   5.700  27.196   0.350  0.36676983E+02
PHI     251 hh22 arg    24      -6.363   7.236  27.823   0.350  0.15270469E+02
PHI     252 c    arg    24      -1.089   1.427  28.064   0.600  0.45104928E+01
PHI     253 o    arg    24      -1.839   1.952  27.285  -0.550  -.47234837E+02
PHI     254 n    gln    25      -0.289   0.394  27.759  -0.400  -.73961842E+00
PHI     255 h    gln    25       0.289   0.010  28.479   0.250  0.11145741E+02
PHI     256 ca   gln    25      -0.243  -0.177  26.417   0.100  0.93797646E+01
PHI     257 cb   gln    25       1.109  -0.812  26.133   0.000  0.13123991E+02
PHI     258 cg   gln    25       2.219   0.255  26.104   0.000  0.12301043E+02
PHI     259 cd   gln    25       2.015   1.068  24.838   0.550  -.39861717E+01
PHI     260 oe1  gln    25       2.174   0.489  23.741  -0.550  -.16196054E+02
PHI     261 ne2  gln    25       1.741   2.348  24.905  -0.600  -.66594238E+01
PHI     262 he21 gln    25       1.757   2.902  24.073   0.300  -.41738052E+01
PHI     263 he22 gln    25       1.515   2.784  25.776   0.300  -.44760609E+00
PHI     264 c    gln    25      -1.365  -1.159  26.228   0.600  0.33678757E+02
PHI     265 o    gln    25      -1.912  -1.790  27.187  -0.550  -.12812956E+02
PHI     266 n    ser    26      -1.806  -1.169  24.975  -0.400  0.29760841E+02
PHI     267 h    ser    26      -1.436  -0.504  24.332   0.250  0.94690123E+01
PHI     268 ca   ser    26      -2.910  -2.017  24.532   0.100  0.38408157E+02
PHI     269 cb   ser    26      -3.904  -1.148  23.736   0.250  0.67046494E+01
PHI     270 og   ser    26      -4.812  -0.486  24.634  -0.650  -.95866375E+01
PHI     271 hg   ser    26      -5.589  -1.059  24.628   0.400  0.61196146E+01
PHI     272 c    ser    26      -2.318  -3.096  23.647   0.600  0.14393909E+02
PHI     273 o    ser    26      -1.173  -2.928  23.216  -0.550  -.11703754E+02
PHI     274 n    pro    27      -3.094  -4.180  23.357  -0.250  0.83533325E+01
PHI     275 cd   pro    27      -2.713  -5.160  22.345   0.100  0.51525855E+01
PHI     276 ca   pro    27      -4.402  -4.501  23.968   0.100  0.34884190E+02
PHI     277 cb   pro    27      -5.029  -5.356  22.871   0.000  0.12292422E+02
PHI     278 cg   pro    27      -3.852  -6.168  22.342   0.000  0.37361145E+01
PHI     279 c    pro    27      -4.177  -5.285  25.254   0.600  0.18759531E+02
PHI     280 o    pro    27      -3.032  -5.468  25.659  -0.550  -.82384911E+02
PHI     281 n    val    28      -5.236  -5.760  25.904  -0.400  0.16886135E+02
PHI     282 h    val    28      -6.159  -5.741  25.526   0.250  0.68804960E+01
PHI     283 ca   val    28      -4.976  -6.579  27.092   0.100  0.28411568E+02
PHI     284 cb   val    28      -5.293  -5.822  28.395   0.000  0.91351070E+01
PHI     285 cg1  val    28      -4.302  -4.682  28.650   0.000  0.44519839E+01
PHI     286 cg2  val    28      -6.750  -5.356  28.438   0.000  0.41964116E+01
PHI     287 c    val    28      -5.733  -7.895  27.048   0.600  0.30847219E+02
PHI     288 o    val    28      -6.629  -8.065  26.231  -0.550  -.78131318E+01
PHI     289 n    asp    29      -5.324  -8.795  27.975  -0.400  0.16401834E+02
PHI     290 h    asp    29      -4.519  -8.647  28.548   0.250  0.20381748E+02
PHI     291 ca   asp    29      -6.155 -10.009  28.199   0.100  0.20127174E+02
PHI     292 cb   asp    29      -5.390 -11.200  28.742   0.000  0.11302289E+01
PHI     293 cg   asp    29      -6.284 -12.353  29.064   0.140  -.44010864E+02
PHI     294 od1  asp    29      -6.139 -12.858  30.189  -0.570  -.11195288E+03
PHI     295 od2  asp    29      -7.070 -12.763  28.193  -0.570  -.48238953E+02
PHI     296 c    asp    29      -7.186  -9.479  29.210   0.600  0.16740852E+02
PHI     297 o    asp    29      -6.786  -8.802  30.163  -0.550  -.30333214E+02
PHI     298 n    ile    30      -8.418  -9.760  28.992  -0.400  0.73771214E+01
PHI     299 h    ile    30      -8.612 -10.277  28.160   0.250  -.55650263E+01
PHI     300 ca   ile    30      -9.509  -9.413  29.804   0.100  0.10393247E+02
PHI     301 cb   ile    30     -10.766  -8.931  29.006   0.000  0.17819501E+01
PHI     302 cg2  ile    30     -11.965  -8.723  29.945   0.000  0.73908663E+00
PHI     303 cg1  ile    30     -10.270  -7.702  28.156   0.000  -.58330148E+00
PHI     304 cd1  ile    30     -11.560  -7.085  27.422   0.000  -.87285525E+00
PHI     305 c    ile    30      -9.783 -10.693  30.661   0.600  -.25507052E+01
PHI     306 o    ile    30     -10.205 -11.629  30.074  -0.550  -.39092686E+02
PHI     307 n    asp    31      -9.431 -10.564  31.914  -0.400  0.48110929E+01
PHI     308 h    asp    31      -8.995  -9.708  32.190   0.250  0.10707274E+02
PHI     309 ca   asp    31      -9.645 -11.612  32.926   0.100  0.26970558E+02
PHI     310 cb   asp    31      -8.564 -11.630  34.014   0.000  0.28608602E+00
PHI     311 cg   asp    31      -8.768 -12.680  35.076   0.140  -.39766476E+02
PHI     312 od1  asp    31      -7.835 -13.172  35.826  -0.570  -.53785412E+02
PHI     313 od2  asp    31      -9.876 -13.155  35.264  -0.570  -.42354080E+02
PHI     314 c    asp    31     -11.062 -11.310  33.420   0.600  0.37007137E+02
PHI     315 o    asp    31     -11.226 -10.311  34.109  -0.550  -.82615604E+01
PHI     316 n    thr    32     -12.004 -12.113  33.088  -0.400  0.18634046E+01
PHI     317 h    thr    32     -11.750 -12.926  32.565   0.250  -.29855437E+01
PHI     318 ca   thr    32     -13.422 -11.913  33.427   0.100  0.26179235E+02
PHI     319 cb   thr    32     -14.390 -12.752  32.498   0.250  0.96575823E+01
PHI     320 og1  thr    32     -14.252 -14.158  32.825  -0.650  -.16829498E+02
PHI     321 hg1  thr    32     -13.394 -14.425  32.523   0.400  -.88548059E+01
PHI     322 cg2  thr    32     -14.053 -12.470  30.980   0.000  0.42183762E+01
PHI     323 c    thr    32     -13.781 -12.020  34.867   0.600  0.27390930E+02
PHI     324 o    thr    32     -14.819 -11.377  35.279  -0.550  -.39915615E+02
PHI     325 n    his    33     -13.031 -12.760  35.619  -0.400  0.11073254E+02
PHI     326 h    his    33     -12.252 -13.221  35.196   0.250  0.91175957E+01
PHI     327 ca   his    33     -13.283 -12.949  37.079   0.100  0.15626421E+02
PHI     328 cb   his    33     -12.678 -14.283  37.574   0.000  0.88172503E+01
PHI     329 cg   his    33     -13.395 -15.359  36.809   0.100  0.22215471E+01
PHI     330 nd1  his    33     -14.726 -15.741  37.042  -0.400  -.24383154E+01
PHI     331 hd1  his    33     -15.327 -15.364  37.718   0.300  0.90086359E+00
PHI     332 cd2  his    33     -12.945 -16.130  35.792   0.100  -.33308830E+01
PHI     333 ne2  his    33     -13.970 -16.967  35.437  -0.400  -.10846233E+02
PHI     334 ce1  his    33     -15.028 -16.723  36.164   0.300  0.65706182E+01
PHI     335 c    his    33     -12.741 -11.748  37.817   0.600  0.19956059E+02
PHI     336 o    his    33     -13.262 -11.366  38.856  -0.550  -.43456821E+02
PHI     337 n    thr    34     -11.745 -11.100  37.283  -0.400  0.21332642E+02
PHI     338 h    thr    34     -11.370 -11.433  36.418   0.250  0.17238886E+02
PHI     339 ca   thr    34     -11.166  -9.909  37.909   0.100  0.31853506E+02
PHI     340 cb   thr    34      -9.584 -10.046  37.662   0.250  0.24853031E+02
PHI     341 og1  thr    34      -9.187 -10.782  38.840  -0.650  -.17614376E+02
PHI     342 hg1  thr    34      -9.535 -11.658  38.744   0.400  -.74179440E+01
PHI     343 cg2  thr    34      -8.850  -8.749  37.479   0.000  0.72215562E+01
PHI     344 c    thr    34     -11.733  -8.578  37.534   0.600  0.40588947E+02
PHI     345 o    thr    34     -11.512  -7.568  38.207  -0.550  0.37662320E+01
PHI     346 n    ala    35     -12.455  -8.478  36.425  -0.400  -.71204562E+01
PHI     347 h    ala    35     -12.600  -9.318  35.904   0.250  -.77377856E+00
PHI     348 ca   ala    35     -13.050  -7.241  35.913   0.100  0.27245195E+02
PHI     349 cb   ala    35     -13.817  -7.440  34.598   0.000  0.85287733E+01
PHI     350 c    ala    35     -14.042  -6.782  36.991   0.600  0.21880066E+02
PHI     351 o    ala    35     -14.612  -7.680  37.638  -0.550  -.24137663E+02
PHI     352 n    lys    36     -14.175  -5.525  37.186  -0.400  0.10757415E+00
PHI     353 h    lys    36     -13.643  -4.895  36.620   0.250  0.65565138E+01
PHI     354 ca   lys    36     -15.081  -4.992  38.210   0.100  0.59633646E+01
PHI     355 cb   lys    36     -14.245  -3.808  38.790   0.000  0.84714279E+01
PHI     356 cg   lys    36     -14.098  -3.914  40.318   0.000  0.68324895E+01
PHI     357 cd   lys    36     -15.149  -3.038  40.988   0.000  0.13595160E+02
PHI     358 ce   lys    36     -15.356  -3.485  42.458   0.250  0.29263042E+02
PHI     359 nz   lys    36     -15.852  -2.331  43.226  -0.300  0.33660255E+02
PHI     360 hz1  lys    36     -16.657  -1.902  42.726   0.350  0.23280167E+02
PHI     361 hz2  lys    36     -15.092  -1.628  43.326   0.350  0.18161694E+02
PHI     362 hz3  lys    36     -16.157  -2.647  44.169   0.350  0.24892757E+02
PHI     363 c    lys    36     -16.403  -4.463  37.683   0.600  0.42475479E+02
PHI     364 o    lys    36     -16.371  -3.527  36.819  -0.550  -.61213670E+01
PHI     365 n    tyr    37     -17.518  -4.984  38.112  -0.400  0.11190408E+02
PHI     366 h    tyr    37     -17.475  -5.749  38.755   0.250  0.61428471E+01
PHI     367 ca   tyr    37     -18.822  -4.473  37.673   0.100  0.21629892E+02
PHI     368 cb   tyr    37     -20.010  -5.310  38.220   0.000  0.75002165E+01
PHI     369 cg   tyr    37     -21.323  -4.585  38.067   0.000  0.63378487E+01
PHI     370 cd1  tyr    37     -21.845  -3.773  39.069   0.000  0.31354012E+01
PHI     371 ce1  tyr    37     -23.044  -3.070  38.885   0.000  0.17105726E+01
PHI     372 cd2  tyr    37     -22.017  -4.626  36.850   0.000  0.50038924E+01
PHI     373 ce2  tyr    37     -23.219  -3.965  36.663   0.000  0.79292502E+01
PHI     374 cz   tyr    37     -23.711  -3.189  37.669   0.250  0.15230398E+01
PHI     375 oh   tyr    37     -24.904  -2.509  37.446  -0.650  -.30715919E+02
PHI     376 hh   tyr    37     -25.060  -2.442  36.513   0.400  0.34721620E+01
PHI     377 c    tyr    37     -18.919  -3.016  38.146   0.600  0.95771294E+01
PHI     378 o    tyr    37     -18.744  -2.758  39.394  -0.550  -.26495466E+02
PHI     379 n    asp    38     -19.118  -2.042  37.305  -0.400  0.14604359E+02
PHI     380 h    asp    38     -19.179  -2.238  36.326   0.250  0.13726489E+02
PHI     381 ca   asp    38     -19.250  -0.674  37.804   0.100  0.18943657E+02
PHI     382 cb   asp    38     -18.137   0.283  37.347   0.000  -.17733589E+01
PHI     383 cg   asp    38     -18.378   1.698  37.838   0.140  -.51410488E+02
PHI     384 od1  asp    38     -17.580   2.642  37.671  -0.570  -.48512074E+02
PHI     385 od2  asp    38     -19.468   1.897  38.428  -0.570  -.62397423E+02
PHI     386 c    asp    38     -20.663  -0.220  37.478   0.600  0.22088085E+02
PHI     387 o    asp    38     -20.937  -0.047  36.308  -0.550  -.45836128E+02
PHI     388 n    pro    39     -21.523  -0.049  38.485  -0.250  0.19545416E+02
PHI     389 cd   pro    39     -21.196  -0.283  39.915   0.100  0.54436083E+01
PHI     390 ca   pro    39     -22.894   0.384  38.263   0.100  0.18530575E+02
PHI     391 cb   pro    39     -23.574   0.073  39.611   0.000  0.47158298E+01
PHI     392 cg   pro    39     -22.512   0.011  40.631   0.000  0.41078801E+01
PHI     393 c    pro    39     -23.020   1.852  37.900   0.600  0.15420806E+02
PHI     394 o    pro    39     -24.121   2.309  37.486  -0.550  -.31295816E+02
PHI     395 n    ser    40     -22.010   2.659  38.032  -0.400  0.26197380E+02
PHI     396 h    ser    40     -21.150   2.287  38.381   0.250  0.17410446E+02
PHI     397 ca   ser    40     -22.090   4.095  37.687   0.100  0.16243851E+02
PHI     398 cb   ser    40     -21.067   4.878  38.502   0.250  0.20152836E+02
PHI     399 og   ser    40     -19.800   4.227  38.248  -0.650  -.11343327E+02
PHI     400 hg   ser    40     -19.977   3.510  37.654   0.400  0.50894535E+00
PHI     401 c    ser    40     -21.847   4.348  36.187   0.600  0.21008570E+02
PHI     402 o    ser    40     -21.941   5.460  35.649  -0.550  -.80824989E+00
PHI     403 n    leu    41     -21.483   3.260  35.516  -0.400  0.14668683E+02
PHI     404 h    leu    41     -21.411   2.386  35.997   0.250  0.16862665E+02
PHI     405 ca   leu    41     -21.184   3.350  34.051   0.100  0.11268255E+02
PHI     406 cb   leu    41     -20.240   2.221  33.795   0.000  0.19699084E+01
PHI     407 cg   leu    41     -19.116   2.109  32.875   0.000  -.13116380E+01
PHI     408 cd1  leu    41     -18.200   3.309  32.860   0.000  0.78655219E+00
PHI     409 cd2  leu    41     -18.307   0.852  33.290   0.000  -.24645247E+00
PHI     410 c    leu    41     -22.534   3.341  33.334   0.600  0.62687061E+02
PHI     411 o    leu    41     -23.385   2.471  33.606  -0.550  -.11226806E+02
PHI     412 n    lys    42     -22.729   4.257  32.473  -0.400  0.24340652E+02
PHI     413 h    lys    42     -21.991   4.921  32.375   0.250  0.91556778E+01
PHI     414 ca   lys    42     -23.899   4.444  31.620   0.100  0.27577557E+02
PHI     415 cb   lys    42     -23.871   5.879  31.110   0.000  0.11916443E+02
PHI     416 cg   lys    42     -24.034   6.854  32.277   0.000  0.63170214E+01
PHI     417 cd   lys    42     -23.275   8.152  31.981   0.000  0.85979300E+01
PHI     418 ce   lys    42     -23.248   9.037  33.247   0.250  0.26315187E+02
PHI     419 nz   lys    42     -21.796   9.340  33.519  -0.300  0.29431261E+02
PHI     420 hz1  lys    42     -21.345   9.685  32.648   0.350  0.21967762E+02
PHI     421 hz2  lys    42     -21.315   8.475  33.839   0.350  0.16378126E+02
PHI     422 hz3  lys    42     -21.726  10.069  34.258   0.350  0.15534512E+02
PHI     423 c    lys    42     -23.827   3.578  30.391   0.600  0.81120056E+02
PHI     424 o    lys    42     -22.748   3.039  30.004  -0.550  -.90696430E+01
PHI     425 n    pro    43     -24.996   3.396  29.792  -0.250  0.26531517E+02
PHI     426 cd   pro    43     -26.302   3.937  30.179   0.100  0.80643015E+01
PHI     427 ca   pro    43     -25.102   2.596  28.554   0.100  0.15894582E+02
PHI     428 cb   pro    43     -26.594   2.429  28.348   0.000  0.67699032E+01
PHI     429 cg   pro    43     -27.224   2.788  29.715   0.000  0.52747164E+01
PHI     430 c    pro    43     -24.391   3.395  27.416   0.600  0.35629292E+02
PHI     431 o    pro    43     -24.312   4.608  27.448  -0.550  -.13538682E+02
PHI     432 n    leu    44     -23.815   2.641  26.462  -0.400  0.15908370E+02
PHI     433 h    leu    44     -23.871   1.645  26.526   0.250  0.62199602E+01
PHI     434 ca   leu    44     -23.121   3.266  25.355   0.100  0.17005959E+02
PHI     435 cb   leu    44     -22.392   2.293  24.389   0.000  0.60685272E+01
PHI     436 cg   leu    44     -21.166   1.597  24.846   0.000  0.15008823E+01
PHI     437 cd1  leu    44     -20.495   0.799  23.717   0.000  0.25824893E+00
PHI     438 cd2  leu    44     -20.223   2.786  25.270   0.000  0.21277125E+01
PHI     439 c    leu    44     -24.257   3.909  24.474   0.600  0.22425547E+02
PHI     440 o    leu    44     -25.282   3.247  24.422  -0.550  -.32481373E+02
PHI     441 n    ser    45     -23.913   4.987  23.874  -0.400  -.49257355E+01
PHI     442 h    ser    45     -22.997   5.345  24.052   0.250  -.43521061E+01
PHI     443 ca   ser    45     -24.780   5.709  22.955   0.100  0.57807984E+01
PHI     444 cb   ser    45     -24.972   7.140  23.385   0.250  0.48894206E+00
PHI     445 og   ser    45     -26.134   7.640  22.712  -0.650  -.22745262E+02
PHI     446 hg   ser    45     -25.835   8.012  21.893   0.400  -.46699519E+01
PHI     447 c    ser    45     -24.081   5.702  21.554   0.600  0.16814474E+02
PHI     448 o    ser    45     -23.118   6.461  21.472  -0.550  -.24619574E+02
PHI     449 n    val    46     -24.555   4.873  20.660  -0.400  0.16936733E+02
PHI     450 h    val    46     -25.326   4.294  20.924   0.250  0.86891909E+01
PHI     451 ca   val    46     -24.015   4.755  19.307   0.100  0.17010685E+02
PHI     452 cb   val    46     -23.750   3.263  18.951   0.000  0.56595149E+01
PHI     453 cg1  val    46     -23.063   3.127  17.611   0.000  0.29416075E+01
PHI     454 cg2  val    46     -22.967   2.472  20.009   0.000  0.11563762E+01
PHI     455 c    val    46     -25.020   5.397  18.321   0.600  0.19695459E+02
PHI     456 o    val    46     -26.168   4.815  18.186  -0.550  -.92459021E+01
PHI     457 n    ser    47     -24.735   6.517  17.756  -0.400  0.85161743E+01
PHI     458 h    ser    47     -23.849   6.914  17.987   0.250  0.98363066E+01
PHI     459 ca   ser    47     -25.572   7.251  16.823   0.100  0.22751886E+02
PHI     460 cb   ser    47     -25.829   8.701  17.228   0.250  0.12841835E+02
PHI     461 og   ser    47     -26.458   8.524  18.550  -0.650  -.38434000E+01
PHI     462 hg   ser    47     -27.150   7.886  18.439   0.400  0.32828531E+01
PHI     463 c    ser    47     -24.889   7.277  15.439   0.600  0.45582523E+01
PHI     464 o    ser    47     -24.197   8.243  15.181  -0.550  -.51739330E+02
PHI     465 n    tyr    48     -25.118   6.254  14.671  -0.400  0.16023466E+02
PHI     466 h    tyr    48     -25.728   5.539  15.011   0.250  0.16495951E+02
PHI     467 ca   tyr    48     -24.532   6.111  13.359   0.100  0.11070350E+02
PHI     468 cb   tyr    48     -23.836   4.705  13.241   0.000  0.35644088E+01
PHI     469 cg   tyr    48     -22.515   4.542  14.035   0.000  0.34204195E+01
PHI     470 cd1  tyr    48     -22.046   3.223  14.157   0.000  0.38422470E+01
PHI     471 ce1  tyr    48     -20.868   2.921  14.819   0.000  0.74707060E+01
PHI     472 cd2  tyr    48     -21.836   5.536  14.624   0.000  0.53769994E+01
PHI     473 ce2  tyr    48     -20.612   5.284  15.331   0.000  0.98054676E+01
PHI     474 cz   tyr    48     -20.157   3.978  15.437   0.250  -.23263590E+01
PHI     475 oh   tyr    48     -19.002   3.714  16.119  -0.650  -.23551729E+02
PHI     476 hh   tyr    48     -18.734   4.487  16.598   0.400  -.73107996E+01
PHI     477 c    tyr    48     -25.502   6.214  12.198   0.600  0.60957024E+02
PHI     478 o    tyr    48     -25.029   5.849  11.061  -0.550  -.93479357E+01
PHI     479 n    asp    49     -26.701   6.640  12.422  -0.400  -.47748876E+01
PHI     480 h    asp    49     -26.939   6.894  13.359   0.250  0.28415837E+01
PHI     481 ca   asp    49     -27.709   6.765  11.381   0.100  0.49699345E+01
PHI     482 cb   asp    49     -29.063   7.133  11.979   0.000  -.54649377E+01
PHI     483 cg   asp    49     -29.018   8.429  12.704   0.140  -.39372631E+02
PHI     484 od1  asp    49     -28.367   8.442  13.783  -0.570  -.79149071E+02
PHI     485 od2  asp    49     -29.662   9.413  12.276  -0.570  -.82174370E+02
PHI     486 c    asp    49     -27.276   7.738  10.262   0.600  0.15746298E+02
PHI     487 o    asp    49     -27.669   7.503   9.123  -0.550  -.17011398E+02
PHI     488 n    gln    50     -26.498   8.746  10.581  -0.400  0.13774661E+02
PHI     489 h    gln    50     -26.191   8.834  11.528   0.250  0.57719803E+01
PHI     490 ca   gln    50     -26.081   9.723   9.596   0.100  0.32702122E+02
PHI     491 cb   gln    50     -26.205  11.167  10.050   0.000  0.33981514E+01
PHI     492 cg   gln    50     -26.968  11.912   8.868   0.000  0.94192772E+01
PHI     493 cd   gln    50     -28.408  11.800   9.366   0.550  0.27065361E+02
PHI     494 oe1  gln    50     -29.361  11.523   8.631  -0.550  -.60015197E+01
PHI     495 ne2  gln    50     -28.446  12.003  10.682  -0.600  -.29407724E+02
PHI     496 he21 gln    50     -27.771  12.604  11.110   0.300  -.93146601E+01
PHI     497 he22 gln    50     -29.139  11.565  11.254   0.300  -.11588061E+02
PHI     498 c    gln    50     -24.641   9.542   9.097   0.600  0.40171753E+02
PHI     499 o    gln    50     -24.109  10.487   8.535  -0.550  -.14048594E+02
PHI     500 n    ala    51     -24.092   8.390   9.329  -0.400  -.18345549E+02
PHI     501 h    ala    51     -24.614   7.679   9.800   0.250  -.10009215E+02
PHI     502 ca   ala    51     -22.685   8.140   8.889   0.100  0.30326918E+02
PHI     503 cb   ala    51     -22.284   6.741   9.303   0.000  0.73486266E+01
PHI     504 c    ala    51     -22.494   8.301   7.384   0.600  0.56542645E+02
PHI     505 o    ala    51     -23.315   7.916   6.497  -0.550  -.21592791E+02
PHI     506 n    thr    52     -21.360   8.940   7.061  -0.400  0.16713001E+02
PHI     507 h    thr    52     -20.767   9.300   7.781   0.250  0.17318468E+02
PHI     508 ca   thr    52     -21.012   9.097   5.643   0.100  0.14995675E+02
PHI     509 cb   thr    52     -20.944  10.627   5.185   0.250  0.16659081E+02
PHI     510 og1  thr    52     -22.285  11.100   5.376  -0.650  -.27674362E+02
PHI     511 hg1  thr    52     -22.378  11.288   6.300   0.400  0.11684276E+02
PHI     512 cg2  thr    52     -20.495  10.692   3.705   0.000  0.56762748E+01
PHI     513 c    thr    52     -19.691   8.414   5.360   0.600  0.17128786E+02
PHI     514 o    thr    52     -18.665   9.065   5.704  -0.550  -.33569367E+01
PHI     515 n    ser    53     -19.715   7.195   4.805  -0.400  0.31899922E+01
PHI     516 h    ser    53     -20.584   6.736   4.620   0.250  0.93047924E+01
PHI     517 ca   ser    53     -18.419   6.566   4.482   0.100  0.22564720E+02
PHI     518 cb   ser    53     -18.537   5.035   4.397   0.250  0.13788964E+02
PHI     519 og   ser    53     -19.323   4.636   3.194  -0.650  -.56562489E+02
PHI     520 hg   ser    53     -18.784   4.832   2.439   0.400  -.17058771E+02
PHI     521 c    ser    53     -17.935   7.256   3.174   0.600  0.54749973E+02
PHI     522 o    ser    53     -18.771   7.743   2.395  -0.550  -.57914162E+01
PHI     523 n    leu    54     -16.605   7.330   2.981  -0.400  -.13017693E+01
PHI     524 h    leu    54     -15.997   6.932   3.668   0.250  -.47602577E+01
PHI     525 ca   leu    54     -16.052   7.964   1.818   0.100  0.12784908E+02
PHI     526 cb   leu    54     -15.168   9.182   2.229   0.000  0.66230221E+01
PHI     527 cg   leu    54     -15.976  10.337   2.870   0.000  -.86824757E+00
PHI     528 cd1  leu    54     -15.032  11.224   3.673   0.000  -.78396034E+00
PHI     529 cd2  leu    54     -16.736  11.039   1.768   0.000  -.43597028E+00
PHI     530 c    leu    54     -15.210   7.039   0.925   0.600  0.69682627E+01
PHI     531 o    leu    54     -15.341   7.016  -0.287  -0.550  -.50391903E+01
PHI     532 n    arg    55     -14.299   6.316   1.615  -0.400  0.63505936E+01
PHI     533 h    arg    55     -14.267   6.392   2.612   0.250  0.46949573E+01
PHI     534 ca   arg    55     -13.390   5.450   0.924   0.100  0.19343683E+02
PHI     535 cb   arg    55     -12.208   6.259   0.326   0.000  0.40256004E+01
PHI     536 cg   arg    55     -11.415   7.032   1.203   0.000  0.14498833E+01
PHI     537 cd   arg    55      -9.966   6.783   1.300   0.100  -.21350031E+01
PHI     538 ne   arg    55      -9.038   7.322   0.455  -0.400  -.10614047E+02
PHI     539 he   arg    55      -9.348   7.351  -0.485   0.300  -.32730312E+01
PHI     540 cz   arg    55      -7.807   7.824   0.581   0.500  0.12536581E+02
PHI     541 nh1  arg    55      -7.153   8.007   1.699  -0.450  -.25970798E+01
PHI     542 hh11 arg    55      -7.576   7.762   2.571   0.350  0.19232382E+00
PHI     543 hh12 arg    55      -6.230   8.392   1.681   0.350  0.15095142E+02
PHI     544 nh2  arg    55      -7.202   8.113  -0.593  -0.450  0.22316977E+02
PHI     545 hh21 arg    55      -6.345   8.628  -0.600   0.350  0.10506275E+02
PHI     546 hh22 arg    55      -7.611   7.811  -1.454   0.350  0.14415288E+02
PHI     547 c    arg    55     -12.794   4.328   1.773   0.600  0.23422398E+02
PHI     548 o    arg    55     -12.942   4.254   2.984  -0.550  -.17645247E+02
PHI     549 n    ile    56     -12.167   3.479   0.962  -0.400  0.13910592E+01
PHI     550 h    ile    56     -12.152   3.619  -0.028   0.250  -.81941805E+01
PHI     551 ca   ile    56     -11.487   2.302   1.626   0.100  0.24549414E+02
PHI     552 cb   ile    56     -12.232   1.032   1.384   0.000  0.64296041E+01
PHI     553 cg2  ile    56     -12.194   0.519  -0.144   0.000  0.36341178E+00
PHI     554 cg1  ile    56     -11.639  -0.134   2.260   0.000  0.23403437E+01
PHI     555 cd1  ile    56     -12.495  -1.407   2.125   0.000  0.49971285E+00
PHI     556 c    ile    56     -10.046   2.352   1.108   0.600  0.13487738E+02
PHI     557 o    ile    56      -9.888   2.614  -0.109  -0.550  -.57055855E+01
PHI     558 n    leu    57      -9.102   2.156   1.972  -0.400  -.10935320E+02
PHI     559 h    leu    57      -9.344   1.989   2.928   0.250  0.66247597E+01
PHI     560 ca   leu    57      -7.672   2.178   1.553   0.100  0.27505442E+02
PHI     561 cb   leu    57      -7.163   3.615   1.723   0.000  0.91843596E+01
PHI     562 cg   leu    57      -5.672   3.739   2.087   0.000  0.41460614E+01
PHI     563 cd1  leu    57      -4.762   3.836   0.864   0.000  0.19291700E+01
PHI     564 cd2  leu    57      -5.483   4.886   3.043   0.000  0.89935887E+00
PHI     565 c    leu    57      -6.854   1.128   2.326   0.600  -.10445504E+01
PHI     566 o    leu    57      -7.062   0.866   3.493  -0.550  -.23759415E+02
PHI     567 n    asn    58      -5.928   0.599   1.577  -0.400  -.27537676E+02
PHI     568 h    asn    58      -5.880   0.892   0.623   0.250  0.30156047E+01
PHI     569 ca   asn    58      -4.935  -0.424   2.073   0.100  0.11880543E+02
PHI     570 cb   asn    58      -4.572  -1.440   1.045   0.000  0.19205822E+02
PHI     571 cg   asn    58      -3.508  -2.416   1.532   0.550  0.25257631E+02
PHI     572 od1  asn    58      -2.703  -2.104   2.516  -0.550  -.80996666E+01
PHI     573 nd2  asn    58      -3.496  -3.539   0.864  -0.600  0.66485085E+01
PHI     574 hd21 asn    58      -2.746  -4.187   0.998   0.300  -.30314574E+01
PHI     575 hd22 asn    58      -4.225  -3.765   0.218   0.300  0.21539358E+02
PHI     576 c    asn    58      -3.725   0.422   2.445   0.600  0.25403005E+00
PHI     577 o    asn    58      -3.087   1.006   1.576  -0.550  -.31482283E+02
PHI     578 n    asn    59      -3.497   0.477   3.764  -0.400  0.69403124E+01
PHI     579 h    asn    59      -3.967  -0.183   4.359   0.250  0.29982969E+00
PHI     580 ca   asn    59      -2.455   1.344   4.311   0.100  0.18940237E+02
PHI     581 cb   asn    59      -2.990   2.011   5.602   0.000  0.19617170E+02
PHI     582 cg   asn    59      -3.176   1.021   6.749   0.550  0.55408311E+01
PHI     583 od1  asn    59      -2.894  -0.158   6.618  -0.550  -.91047554E+01
PHI     584 nd2  asn    59      -3.525   1.583   7.911  -0.600  -.79437141E+01
PHI     585 hd21 asn    59      -4.041   2.450   7.938   0.300  -.43238297E+01
PHI     586 hd22 asn    59      -3.295   1.096   8.758   0.300  0.41048380E+03
PHI     587 c    asn    59      -1.075   0.697   4.496   0.600  0.47623619E+02
PHI     588 o    asn    59      -0.123   1.301   5.004  -0.550  -.12842726E+02
PHI     589 n    gly    60      -1.014  -0.571   4.076  -0.400  0.18070036E+02
PHI     590 h    gly    60      -1.816  -0.934   3.602   0.250  0.98770504E+01
PHI     591 ca   gly    60       0.156  -1.441   4.254   0.100  0.21519989E+02
PHI     592 c    gly    60       0.224  -2.233   5.499   0.600  0.26934599E+02
PHI     593 o    gly    60       1.075  -3.028   5.679  -0.550  -.83478594E+01
PHI     594 n    his    61      -0.834  -2.095   6.283  -0.400  0.75595284E+01
PHI     595 h    his    61      -1.486  -1.343   6.264   0.250  0.17416090E+02
PHI     596 ca   his    61      -1.120  -3.206   7.187   0.100  0.14770588E+02
PHI     597 cb   his    61      -0.643  -2.933   8.629   0.000  0.94525089E+01
PHI     598 cg   his    61      -0.597  -1.458   8.973   0.100  0.10615302E+03
PHI     599 nd1  his    61       0.325  -0.626   8.454  -0.400  -.32403564E+03
PHI     600 hd1  his    61       1.008  -0.871   7.799   0.300  0.12326389E+02
PHI     601 cd2  his    61      -1.416  -0.737   9.851   0.100  0.70479401E+02
PHI     602 ne2  his    61      -0.972   0.552   9.861  -0.400  -.31534653E+03
PHI     603 ce1  his    61       0.095   0.607   8.998   0.300  0.32001526E+03
PHI     604 c    his    61      -2.566  -3.663   7.192   0.600  0.68100662E+01
PHI     605 o    his    61      -2.913  -4.612   7.893  -0.550  -.21215513E+02
PHI     606 n    ala    62      -3.407  -2.915   6.461  -0.400  0.89632206E+01
PHI     607 h    ala    62      -3.101  -2.144   5.913   0.250  -.34302118E+00
PHI     608 ca   ala    62      -4.838  -3.134   6.587   0.100  0.15866981E+02
PHI     609 cb   ala    62      -5.353  -2.599   7.934   0.000  0.86494923E+01
PHI     610 c    ala    62      -5.590  -2.434   5.476   0.600  0.24363829E+02
PHI     611 o    ala    62      -5.062  -1.765   4.588  -0.550  -.10339548E+02
PHI     612 n    phe    63      -6.900  -2.599   5.561  -0.400  0.14680411E+02
PHI     613 h    phe    63      -7.316  -3.191   6.243   0.250  0.16444365E+02
PHI     614 ca   phe    63      -7.723  -1.581   4.941   0.100  0.11182755E+02
PHI     615 cb   phe    63      -8.805  -2.211   4.052   0.000  0.23162590E-01
PHI     616 cg   phe    63      -9.710  -3.203   4.756   0.000  -.56530958E+00
PHI     617 cd1  phe    63     -10.939  -2.758   5.292   0.000  -.56311285E+00
PHI     618 cd2  phe    63      -9.322  -4.557   4.854   0.000  -.31831732E+00
PHI     619 ce1  phe    63     -11.785  -3.676   5.942   0.000  0.26465753E+00
PHI     620 ce2  phe    63     -10.172  -5.478   5.496   0.000  0.26427010E+00
PHI     621 cz   phe    63     -11.393  -5.028   6.036   0.000  0.45714882E+00
PHI     622 c    phe    63      -8.320  -0.782   6.068   0.600  0.28000645E+02
PHI     623 o    phe    63      -8.888  -1.401   6.942  -0.550  -.84741287E+01
PHI     624 n    asn    64      -8.178   0.544   6.069  -0.400  -.10899370E+02
PHI     625 h    asn    64      -7.742   0.983   5.288   0.250  -.42453599E+01
PHI     626 ca   asn    64      -8.997   1.303   7.033   0.100  0.10466089E+02
PHI     627 cb   asn    64      -8.343   2.631   7.425   0.000  0.21476339E+02
PHI     628 cg   asn    64      -7.042   2.396   8.153   0.550  0.58950181E+01
PHI     629 od1  asn    64      -5.958   2.772   7.724  -0.550  -.49607315E+02
PHI     630 nd2  asn    64      -7.153   1.687   9.274  -0.600  -.66111407E+03
PHI     631 hd21 asn    64      -8.063   1.591   9.695   0.300  0.49271341E+03
PHI     632 hd22 asn    64      -6.386   1.297   9.786   0.300  0.20815414E+03
PHI     633 c    asn    64     -10.273   1.643   6.319   0.600  0.35653706E+02
PHI     634 o    asn    64     -10.247   1.677   5.094  -0.550  -.22867416E+02
PHI     635 n    val    65     -11.385   1.902   7.010  -0.400  0.96641235E+01
PHI     636 h    val    65     -11.394   1.800   8.008   0.250  0.41481557E+00
PHI     637 ca   val    65     -12.475   2.544   6.258   0.100  0.15458479E+02
PHI     638 cb   val    65     -13.787   1.756   6.428   0.000  0.75466948E+01
PHI     639 cg1  val    65     -14.956   2.353   5.635   0.000  0.21320927E+01
PHI     640 cg2  val    65     -13.579   0.288   6.041   0.000  0.98196274E+00
PHI     641 c    val    65     -12.607   3.993   6.698   0.600  0.13457868E+02
PHI     642 o    val    65     -12.403   4.273   7.878  -0.550  -.22776194E+02
PHI     643 n    glu    66     -12.884   4.889   5.723  -0.400  0.39645545E+01
PHI     644 h    glu    66     -12.850   4.744   4.736   0.250  0.50834355E+01
PHI     645 ca   glu    66     -12.842   6.239   6.181   0.100  0.32176487E+02
PHI     646 cb   glu    66     -11.804   7.024   5.375   0.000  0.35327950E+01
PHI     647 cg   glu    66     -10.358   6.613   5.511   0.000  -.90327387E+01
PHI     648 cd   glu    66      -9.472   7.192   4.407   0.140  -.36500687E+02
PHI     649 oe1  glu    66      -9.969   7.723   3.415  -0.570  -.52406418E+02
PHI     650 oe2  glu    66      -8.250   7.024   4.529  -0.570  -.38388195E+02
PHI     651 c    glu    66     -14.190   6.880   6.053   0.600  0.22139841E+02
PHI     652 o    glu    66     -14.885   6.555   5.086  -0.550  -.53987106E+02
PHI     653 n    phe    67     -14.535   7.705   6.998  -0.400  0.26294069E+01
PHI     654 h    phe    67     -13.861   7.830   7.722   0.250  0.69016294E+01
PHI     655 ca   phe    67     -15.757   8.452   7.127   0.100  0.43959460E+01
PHI     656 cb   phe    67     -16.459   8.069   8.472   0.000  0.44643298E+00
PHI     657 cg   phe    67     -16.993   6.635   8.436   0.000  -.60937476E+00
PHI     658 cd1  phe    67     -16.200   5.574   8.657   0.000  -.17762395E+01
PHI     659 cd2  phe    67     -18.309   6.413   8.081   0.000  0.43528175E+00
PHI     660 ce1  phe    67     -16.644   4.254   8.595   0.000  -.86353838E-01
PHI     661 ce2  phe    67     -18.839   5.111   8.007   0.000  0.34972319E+00
PHI     662 cz   phe    67     -18.015   4.046   8.252   0.000  0.41336361E+00
PHI     663 c    phe    67     -15.458   9.954   7.194   0.600  0.75703182E+01
PHI     664 o    phe    67     -14.374  10.386   7.636  -0.550  -.13975821E+02
PHI     665 n    asp    68     -16.453  10.717   6.860  -0.400  -.88606625E+01
PHI     666 h    asp    68     -17.295  10.267   6.565   0.250  -.37968726E+01
PHI     667 ca   asp    68     -16.419  12.204   6.888   0.100  0.24185053E+02
PHI     668 cb   asp    68     -17.617  12.640   6.004   0.000  -.30356860E+01
PHI     669 cg   asp    68     -17.742  14.167   6.061   0.140  -.31631508E+02
PHI     670 od1  asp    68     -17.033  14.862   6.696  -0.570  -.24034761E+02
PHI     671 od2  asp    68     -18.702  14.616   5.375  -0.570  -.20992434E+02
PHI     672 c    asp    68     -16.611  12.630   8.330   0.600  0.40870975E+02
PHI     673 o    asp    68     -17.706  12.391   8.852  -0.550  -.34229668E+02
PHI     674 n    asp    69     -15.599  13.162   9.021  -0.400  0.65975404E+00
PHI     675 h    asp    69     -14.721  13.296   8.561   0.250  -.76288605E+01
PHI     676 ca   asp    69     -15.749  13.541  10.401   0.100  0.12109528E+02
PHI     677 cb   asp    69     -14.659  12.836  11.255   0.000  -.37853050E+01
PHI     678 cg   asp    69     -13.275  13.335  10.931   0.140  -.35243385E+02
PHI     679 od1  asp    69     -12.311  13.147  11.598  -0.570  -.35403522E+02
PHI     680 od2  asp    69     -13.102  14.025   9.891  -0.570  -.54327152E+02
PHI     681 c    asp    69     -15.700  15.054  10.530   0.600  0.70831647E+01
PHI     682 o    asp    69     -15.160  15.510  11.520  -0.550  -.29445206E+02
PHI     683 n    ser    70     -16.183  15.767   9.533  -0.400  -.11826887E+01
PHI     684 h    ser    70     -16.587  15.298   8.748   0.250  -.43309774E+01
PHI     685 ca   ser    70     -16.127  17.274   9.576   0.100  0.20595238E+02
PHI     686 cb   ser    70     -15.949  17.782   8.160   0.250  0.22459562E+01
PHI     687 og   ser    70     -17.143  17.542   7.362  -0.650  -.96015196E+01
PHI     688 hg   ser    70     -17.195  16.605   7.224   0.400  -.11151690E+02
PHI     689 c    ser    70     -17.307  17.846  10.301   0.600  -.15983125E+01
PHI     690 o    ser    70     -17.447  19.088  10.539  -0.550  -.15287969E+02
PHI     691 n    gln    71     -18.231  17.004  10.691  -0.400  -.15364273E+02
PHI     692 h    gln    71     -18.065  16.049  10.457   0.250  0.49595590E+01
PHI     693 ca   gln    71     -19.435  17.285  11.404   0.100  0.20875008E+02
PHI     694 cb   gln    71     -20.605  17.605  10.472   0.000  0.68265376E+01
PHI     695 cg   gln    71     -20.472  18.918   9.686   0.000  0.15505089E+02
PHI     696 cd   gln    71     -21.732  19.049   8.855   0.550  -.11461253E+01
PHI     697 oe1  gln    71     -22.737  19.668   9.259  -0.550  -.40013798E+02
PHI     698 ne2  gln    71     -21.746  18.366   7.693  -0.600  -.11144045E+02
PHI     699 he21 gln    71     -22.597  18.289   7.174   0.300  -.61954575E+01
PHI     700 he22 gln    71     -20.919  17.932   7.337   0.300  -.10154421E+01
PHI     701 c    gln    71     -19.787  16.103  12.294   0.600  0.21940895E+02
PHI     702 o    gln    71     -19.283  14.999  12.091  -0.550  -.41136689E+01
PHI     703 n    asp    72     -20.673  16.385  13.294  -0.400  0.11612880E+02
PHI     704 h    asp    72     -21.016  17.320  13.387   0.250  0.11076793E+02
PHI     705 ca   asp    72     -21.121  15.346  14.221   0.100  0.82799139E+01
PHI     706 cb   asp    72     -21.710  16.018  15.458   0.000  -.33967752E+01
PHI     707 cg   asp    72     -20.735  16.433  16.486   0.140  -.36621685E+02
PHI     708 od1  asp    72     -19.515  16.345  16.303  -0.570  -.41706039E+02
PHI     709 od2  asp    72     -21.272  16.881  17.497  -0.570  -.43856552E+02
PHI     710 c    asp    72     -22.127  14.390  13.603   0.600  0.25913954E+02
PHI     711 o    asp    72     -23.270  14.308  14.102  -0.550  -.49046707E+01
PHI     712 n    lys    73     -21.774  13.666  12.602  -0.400  0.16871447E+02
PHI     713 h    lys    73     -20.829  13.776  12.300   0.250  0.18087650E+02
PHI     714 ca   lys    73     -22.593  12.711  11.865   0.100  0.26644005E+02
PHI     715 cb   lys    73     -22.084  12.574  10.423   0.000  0.10781562E+02
PHI     716 cg   lys    73     -22.466  13.682   9.474   0.000  0.72550392E+01
PHI     717 cd   lys    73     -21.553  13.634   8.226   0.000  0.14542277E+02
PHI     718 ce   lys    73     -22.103  14.642   7.228   0.250  0.24506189E+02
PHI     719 nz   lys    73     -21.540  14.362   5.894  -0.300  0.27500797E+02
PHI     720 hz1  lys    73     -21.806  13.400   5.601   0.350  0.17993082E+02
PHI     721 hz2  lys    73     -20.504  14.439   5.932   0.350  0.17842213E+02
PHI     722 hz3  lys    73     -21.914  15.049   5.209   0.350  0.11847233E+02
PHI     723 c    lys    73     -22.651  11.324  12.445   0.600  0.40391102E+02
PHI     724 o    lys    73     -23.741  10.699  12.447  -0.550  -.29472218E+02
PHI     725 n    ala    74     -21.559  10.789  12.888  -0.400  0.22207678E+02
PHI     726 h    ala    74     -20.708  11.313  12.862   0.250  0.90042944E+01
PHI     727 ca   ala    74     -21.580   9.387  13.437   0.100  0.28583744E+02
PHI     728 cb   ala    74     -21.072   8.460  12.417   0.000  0.73850636E+01
PHI     729 c    ala    74     -20.794   9.576  14.742   0.600  0.43850956E+02
PHI     730 o    ala    74     -19.651   9.874  14.598  -0.550  -.18199808E+02
PHI     731 n    val    75     -21.513   9.456  15.846  -0.400  0.28323792E+02
PHI     732 h    val    75     -22.481   9.212  15.796   0.250  0.10331702E+02
PHI     733 ca   val    75     -20.848   9.691  17.129   0.100  0.23605179E+02
PHI     734 cb   val    75     -21.211  11.072  17.734   0.000  0.96396198E+01
PHI     735 cg1  val    75     -20.853  12.296  16.921   0.000  0.27195637E+01
PHI     736 cg2  val    75     -22.718  11.029  18.031   0.000  0.33591588E+01
PHI     737 c    val    75     -21.169   8.605  18.156   0.600  0.33267029E+02
PHI     738 o    val    75     -22.190   7.896  18.119  -0.550  -.39991554E+02
PHI     739 n    leu    76     -20.210   8.650  19.093  -0.400  0.12558750E+02
PHI     740 h    leu    76     -19.473   9.313  18.967   0.250  0.90619411E+01
PHI     741 ca   leu    76     -20.184   7.784  20.286   0.100  0.11536690E+02
PHI     742 cb   leu    76     -18.934   6.962  20.144   0.000  0.35311720E+01
PHI     743 cg   leu    76     -18.838   5.550  20.658   0.000  0.17685244E+01
PHI     744 cd1  leu    76     -17.445   5.310  21.245   0.000  0.10917526E+01
PHI     745 cd2  leu    76     -19.911   5.191  21.617   0.000  0.10838505E+01
PHI     746 c    leu    76     -20.193   8.624  21.547   0.600  0.67528229E+01
PHI     747 o    leu    76     -19.402   9.597  21.671  -0.550  -.53303062E+02
PHI     748 n    lys    77     -21.116   8.291  22.432  -0.400  -.77085271E+01
PHI     749 h    lys    77     -21.745   7.539  22.235   0.250  -.55272260E+01
PHI     750 ca   lys    77     -21.204   9.047  23.715   0.100  0.13728860E+02
PHI     751 cb   lys    77     -21.996  10.306  23.618   0.000  0.52868309E+01
PHI     752 cg   lys    77     -23.418  10.248  23.118   0.000  0.63025422E+01
PHI     753 cd   lys    77     -23.955  11.697  22.836   0.000  0.10931601E+02
PHI     754 ce   lys    77     -25.037  11.482  21.713   0.250  0.21501228E+02
PHI     755 nz   lys    77     -26.280  12.194  22.181  -0.300  0.28836998E+02
PHI     756 hz1  lys    77     -26.072  13.205  22.311   0.350  0.18372980E+02
PHI     757 hz2  lys    77     -26.594  11.786  23.085   0.350  0.22153595E+02
PHI     758 hz3  lys    77     -27.031  12.083  21.471   0.350  0.27818512E+02
PHI     759 c    lys    77     -21.677   8.078  24.784   0.600  0.25350063E+02
PHI     760 o    lys    77     -22.007   6.936  24.391  -0.550  -.25143030E+02
PHI     761 n    gly    78     -21.675   8.545  26.026  -0.400  0.91069107E+01
PHI     762 h    gly    78     -21.383   9.484  26.210   0.250  0.87125187E+01
PHI     763 ca   gly    78     -22.119   7.634  27.137   0.100  0.17132908E+02
PHI     764 c    gly    78     -21.036   6.664  27.508   0.600  0.53869808E+02
PHI     765 o    gly    78     -19.902   6.910  27.272  -0.550  -.18886635E+02
PHI     766 n    gly    79     -21.350   5.522  28.107  -0.400  0.10969723E+02
PHI     767 h    gly    79     -22.323   5.345  28.245   0.250  0.11719937E+02
PHI     768 ca   gly    79     -20.411   4.516  28.575   0.100  0.16074736E+02
PHI     769 c    gly    79     -19.542   5.312  29.598   0.600  0.36927437E+02
PHI     770 o    gly    79     -20.096   6.084  30.354  -0.550  -.10541615E+02
PHI     771 n    pro    80     -18.260   5.042  29.518  -0.250  0.83696928E+01
PHI     772 cd   pro    80     -17.569   4.108  28.617   0.100  0.84872580E+01
PHI     773 ca   pro    80     -17.306   5.749  30.418   0.100  0.17034996E+02
PHI     774 cb   pro    80     -16.130   4.722  30.426   0.000  0.89445381E+01
PHI     775 cg   pro    80     -16.102   4.396  28.900   0.000  0.67216740E+01
PHI     776 c    pro    80     -16.807   7.070  29.849   0.600  0.18620966E+02
PHI     777 o    pro    80     -15.926   7.763  30.436  -0.550  -.15737994E+02
PHI     778 n    leu    81     -17.366   7.475  28.661  -0.400  0.24802673E+01
PHI     779 h    leu    81     -18.081   6.910  28.249   0.250  0.91715088E+01
PHI     780 ca   leu    81     -16.950   8.670  28.016   0.100  0.77354274E+01
PHI     781 cb   leu    81     -17.265   8.612  26.504   0.000  0.46834893E+01
PHI     782 cg   leu    81     -16.781   7.404  25.718   0.000  0.12281344E+01
PHI     783 cd1  leu    81     -17.183   7.539  24.274   0.000  0.22977464E+00
PHI     784 cd2  leu    81     -15.227   7.249  25.811   0.000  0.88045806E+00
PHI     785 c    leu    81     -17.612   9.941  28.570   0.600  0.20082603E+02
PHI     786 o    leu    81     -18.676   9.810  29.150  -0.550  -.22532914E+01
PHI     787 n    asp    82     -16.955  11.009  28.271  -0.400  -.31189032E+01
PHI     788 h    asp    82     -16.104  10.872  27.768   0.250  0.12217056E+01
PHI     789 ca   asp    82     -17.320  12.373  28.586   0.100  0.98425055E+01
PHI     790 cb   asp    82     -16.331  12.985  29.566   0.000  -.21845322E+01
PHI     791 cg   asp    82     -16.749  12.722  30.996   0.140  -.45836842E+02
PHI     792 od1  asp    82     -15.929  12.273  31.851  -0.570  -.54334831E+02
PHI     793 od2  asp    82     -17.933  12.971  31.288  -0.570  -.60251678E+02
PHI     794 c    asp    82     -17.352  13.131  27.251   0.600  0.19032749E+02
PHI     795 o    asp    82     -16.354  13.269  26.589  -0.550  -.10973905E+02
PHI     796 n    gly    83     -18.512  13.581  26.842  -0.400  0.14280210E+02
PHI     797 h    gly    83     -19.330  13.422  27.395   0.250  0.11542601E+02
PHI     798 ca   gly    83     -18.589  14.317  25.567   0.100  0.75523758E+01
PHI     799 c    gly    83     -18.787  13.364  24.378   0.600  0.55465231E+01
PHI     800 o    gly    83     -19.088  12.187  24.577  -0.550  -.15235779E+02
PHI     801 n    thr    84     -18.638  13.994  23.247  -0.400  -.25805573E+01
PHI     802 h    thr    84     -18.360  14.951  23.307   0.250  0.80283314E+00
PHI     803 ca   thr    84     -18.837  13.438  21.923   0.100  0.13181289E+02
PHI     804 cb   thr    84     -19.636  14.520  21.055   0.250  0.19916313E+02
PHI     805 og1  thr    84     -20.876  14.773  21.764  -0.650  -.18132689E+02
PHI     806 hg1  thr    84     -20.815  15.652  22.114   0.400  0.41224079E+01
PHI     807 cg2  thr    84     -19.898  13.923  19.669   0.000  0.54763122E+01
PHI     808 c    thr    84     -17.573  13.082  21.181   0.600  0.28055716E+02
PHI     809 o    thr    84     -16.681  13.925  21.110  -0.550  -.48109932E+02
PHI     810 n    tyr    85     -17.561  11.876  20.665  -0.400  0.21588665E+02
PHI     811 h    tyr    85     -18.376  11.313  20.795   0.250  0.13123630E+02
PHI     812 ca   tyr    85     -16.416  11.301  19.905   0.100  0.35067062E+02
PHI     813 cb   tyr    85     -15.921  10.017  20.604   0.000  0.86624374E+01
PHI     814 cg   tyr    85     -15.127  10.219  21.896   0.000  0.44759512E+01
PHI     815 cd1  tyr    85     -13.749   9.997  21.949   0.000  0.58476872E+01
PHI     816 ce1  tyr    85     -13.012  10.183  23.171   0.000  0.73216600E+01
PHI     817 cd2  tyr    85     -15.704  10.722  23.031   0.000  0.30393114E+01
PHI     818 ce2  tyr    85     -14.997  10.969  24.202   0.000  0.93519659E+01
PHI     819 cz   tyr    85     -13.680  10.707  24.260   0.250  0.16293447E+02
PHI     820 oh   tyr    85     -13.028  10.915  25.507  -0.650  -.38277878E+02
PHI     821 hh   tyr    85     -12.526  11.719  25.471   0.400  -.14673212E+02
PHI     822 c    tyr    85     -16.966  11.030  18.528   0.600  0.30136396E+02
PHI     823 o    tyr    85     -17.976  10.321  18.430  -0.550  -.32877052E+02
PHI     824 n    arg    86     -16.354  11.497  17.484  -0.400  0.19905518E+02
PHI     825 h    arg    86     -15.534  12.037  17.664   0.250  0.31451266E+01
PHI     826 ca   arg    86     -16.735  11.317  16.091   0.100  0.14127549E+02
PHI     827 cb   arg    86     -16.389  12.472  15.090   0.000  0.97230129E+01
PHI     828 cg   arg    86     -17.006  13.742  15.247   0.000  0.48409104E+01
PHI     829 cd   arg    86     -16.735  14.856  14.264   0.100  0.33893802E+01
PHI     830 ne   arg    86     -17.546  15.993  14.752  -0.400  0.61815987E+01
PHI     831 he   arg    86     -18.395  15.877  15.267   0.300  0.30856564E+01
PHI     832 cz   arg    86     -17.046  17.232  14.445   0.500  0.18710890E+02
PHI     833 nh1  arg    86     -15.993  17.466  13.678  -0.450  0.14369272E+02
PHI     834 hh11 arg    86     -15.493  16.703  13.269   0.350  0.52040215E+01
PHI     835 hh12 arg    86     -15.698  18.406  13.507   0.350  0.14620995E+02
PHI     836 nh2  arg    86     -17.676  18.247  15.016  -0.450  0.75132389E+01
PHI     837 hh21 arg    86     -18.455  18.076  15.620   0.350  0.14183340E+01
PHI     838 hh22 arg    86     -17.373  19.184  14.843   0.350  0.41443901E+01
PHI     839 c    arg    86     -15.924  10.165  15.435   0.600  0.87927017E+01
PHI     840 o    arg    86     -14.678  10.121  15.550  -0.550  -.12915370E+02
PHI     841 n    leu    87     -16.672   9.312  14.711  -0.400  0.82695589E+01
PHI     842 h    leu    87     -17.656   9.476  14.607   0.250  0.94454737E+01
PHI     843 ca   leu    87     -16.100   8.155  13.995   0.100  0.19238159E+02
PHI     844 cb   leu    87     -17.218   7.124  13.748   0.000  0.60704341E+01
PHI     845 cg   leu    87     -16.804   5.821  13.043   0.000  0.75525254E+00
PHI     846 cd1  leu    87     -15.825   4.991  13.867   0.000  0.40364748E+00
PHI     847 cd2  leu    87     -18.013   5.004  12.587   0.000  0.32802197E+00
PHI     848 c    leu    87     -15.358   8.424  12.684   0.600  0.14235219E+02
PHI     849 o    leu    87     -15.903   8.359  11.584  -0.550  -.97718010E+01
PHI     850 n    ile    88     -14.058   8.685  12.809  -0.400  0.11220144E+02
PHI     851 h    ile    88     -13.679   8.846  13.719   0.250  0.16138639E+02
PHI     852 ca   ile    88     -13.266   8.762  11.580   0.100  0.12481981E+02
PHI     853 cb   ile    88     -11.942   9.514  11.845   0.000  0.22062540E+01
PHI     854 cg2  ile    88     -11.074   8.816  12.904   0.000  0.29544830E+01
PHI     855 cg1  ile    88     -11.145   9.759  10.559   0.000  -.35322100E-01
PHI     856 cd1  ile    88      -9.895  10.613  10.783   0.000  -.94566315E+00
PHI     857 c    ile    88     -13.083   7.434  10.828   0.600  0.27403215E+02
PHI     858 o    ile    88     -13.234   7.352   9.603  -0.550  -.20877028E+02
PHI     859 n    gln    89     -12.749   6.378  11.597  -0.400  0.58304186E+01
PHI     860 h    gln    89     -12.743   6.428  12.595   0.250  -.17241528E+01
PHI     861 ca   gln    89     -12.412   5.142  10.886   0.100  0.19529852E+02
PHI     862 cb   gln    89     -10.898   5.036  10.619   0.000  0.79675927E+01
PHI     863 cg   gln    89     -10.042   4.919  11.885   0.000  0.17434757E+02
PHI     864 cd   gln    89      -8.827   4.041  11.638   0.550  0.47083127E+03
PHI     865 oe1  gln    89      -8.755   3.271  10.688  -0.550  -.43668958E+03
PHI     866 ne2  gln    89      -7.861   4.187  12.551  -0.600  -.44488416E+03
PHI     867 he21 gln    89      -7.956   4.870  13.282   0.300  0.25648349E+03
PHI     868 he22 gln    89      -7.022   3.650  12.518   0.300  0.21999565E+03
PHI     869 c    gln    89     -12.875   3.853  11.540   0.600  0.54536915E+01
PHI     870 o    gln    89     -13.128   3.790  12.742  -0.550  -.10235518E+02
PHI     871 n    phe    90     -12.860   2.788  10.697  -0.400  0.47224798E+01
PHI     872 h    phe    90     -12.868   2.947   9.706   0.250  0.49768038E+01
PHI     873 ca   phe    90     -12.829   1.420  11.253   0.100  0.15031046E+02
PHI     874 cb   phe    90     -14.240   0.900  11.612   0.000  0.59339471E+01
PHI     875 cg   phe    90     -15.071   0.448  10.426   0.000  0.21520925E+01
PHI     876 cd1  phe    90     -14.872  -0.839   9.876   0.000  -.33771541E-01
PHI     877 cd2  phe    90     -16.049   1.314   9.897   0.000  0.44441956E+00
PHI     878 ce1  phe    90     -15.640  -1.257   8.774   0.000  -.44973310E-01
PHI     879 ce2  phe    90     -16.826   0.895   8.798   0.000  0.29067096E+00
PHI     880 cz   phe    90     -16.607  -0.381   8.242   0.000  0.27219430E+00
PHI     881 c    phe    90     -12.057   0.385  10.425   0.600  0.58816553E+03
PHI     882 o    phe    90     -12.185   0.374   9.200  -0.550  -.36841284E+03
PHI     883 n    his    91     -11.297  -0.454  11.140  -0.400  -.33442816E+03
PHI     884 h    his    91     -11.342  -0.349  12.132   0.250  0.20513348E+03
PHI     885 ca   his    91     -10.475  -1.472  10.478   0.100  0.84751656E+02
PHI     886 cb   his    91      -9.027  -0.986  10.319   0.000  0.81290417E+01
PHI     887 cg   his    91      -8.431  -0.493  11.623   0.100  0.84313171E+02
PHI     888 nd1  his    91      -8.532   0.775  12.060  -0.400  -.29711743E+03
PHI     889 hd1  his    91      -9.001   1.509  11.606   0.300  0.21014925E+03
PHI     890 cd2  his    91      -7.679  -1.212  12.557   0.100  0.72153969E+02
PHI     891 ne2  his    91      -7.328  -0.358  13.556  -0.400  -.43515033E+03
PHI     892 ce1  his    91      -7.860   0.867  13.246   0.300  0.28664197E+03
PHI     893 c    his    91     -10.517  -2.801  11.212   0.600  0.27618193E+02
PHI     894 o    his    91     -10.764  -2.822  12.414  -0.550  -.18188322E+02
PHI     895 n    phe    92     -10.300  -3.884  10.432  -0.400  -.80325985E+01
PHI     896 h    phe    92      -9.921  -3.724   9.520   0.250  0.56573267E+01
PHI     897 ca   phe    92     -10.330  -5.229  11.020   0.100  0.16823442E+02
PHI     898 cb   phe    92     -11.104  -6.212  10.133   0.000  0.74590611E+01
PHI     899 cg   phe    92     -12.579  -5.898  10.033   0.000  0.26709917E+01
PHI     900 cd1  phe    92     -13.030  -4.910   9.130   0.000  0.15892059E+01
PHI     901 cd2  phe    92     -13.487  -6.626  10.830   0.000  0.16650054E+01
PHI     902 ce1  phe    92     -14.409  -4.652   9.015   0.000  0.10157129E+01
PHI     903 ce2  phe    92     -14.868  -6.372  10.716   0.000  0.12975627E+01
PHI     904 cz   phe    92     -15.313  -5.387   9.810   0.000  0.11234468E+01
PHI     905 c    phe    92      -8.924  -5.772  11.161   0.600  0.28316416E+02
PHI     906 o    phe    92      -8.069  -5.474  10.338  -0.550  -.10591676E+02
PHI     907 n    his    93      -8.724  -6.578  12.204  -0.400  -.59451308E+01
PHI     908 h    his    93      -9.465  -6.700  12.867   0.250  -.75263896E+01
PHI     909 ca   his    93      -7.446  -7.286  12.346   0.100  0.30812119E+02
PHI     910 cb   his    93      -6.739  -6.837  13.630   0.000  0.68894167E+01
PHI     911 cg   his    93      -5.908  -5.601  13.375   0.100  0.59939809E+01
PHI     912 nd1  his    93      -4.569  -5.627  13.306  -0.400  -.22864855E+02
PHI     913 hd1  his    93      -3.973  -6.394  13.452   0.300  -.11670932E+02
PHI     914 cd2  his    93      -6.328  -4.285  13.157   0.100  -.45901725E+00
PHI     915 ne2  his    93      -5.221  -3.518  12.950  -0.400  -.14399123E+01
PHI     916 ce1  his    93      -4.135  -4.355  13.045   0.300  -.62770014E+01
PHI     917 c    his    93      -7.655  -8.788  12.369   0.600  0.50050705E+02
PHI     918 o    his    93      -8.556  -9.260  13.065  -0.550  -.10131087E+02
PHI     919 n    trp    94      -6.808  -9.513  11.611  -0.400  0.11109745E+02
PHI     920 h    trp    94      -6.064  -9.081  11.100   0.250  0.88899937E+01
PHI     921 ca   trp    94      -7.038 -10.946  11.450   0.100  0.16377645E+02
PHI     922 cb   trp    94      -7.944 -11.199  10.234   0.000  0.81781158E+01
PHI     923 cg   trp    94      -7.281 -10.662   8.991  -0.030  0.34273634E+01
PHI     924 cd2  trp    94      -7.463  -9.374   8.364   0.100  0.32644839E+01
PHI     925 ce2  trp    94      -6.572  -9.331   7.239  -0.040  -.12221011E+02
PHI     926 ce3  trp    94      -8.289  -8.267   8.645  -0.030  0.17005285E+01
PHI     927 cd1  trp    94      -6.310 -11.319   8.223   0.060  -.60255294E+01
PHI     928 ne1  trp    94      -5.891 -10.540   7.198  -0.360  -.20415730E+02
PHI     929 he1  trp    94      -5.146 -10.785   6.598   0.300  -.63743634E+01
PHI     930 cz2  trp    94      -6.519  -8.181   6.425   0.000  -.43757420E+01
PHI     931 cz3  trp    94      -8.229  -7.124   7.820   0.000  0.69721884E+00
PHI     932 ch2  trp    94      -7.347  -7.079   6.719   0.000  -.16997606E+00
PHI     933 c    trp    94      -5.792 -11.836  11.423   0.600  0.20570019E+02
PHI     934 o    trp    94      -4.634 -11.436  11.313  -0.550  -.41480228E+02
PHI     935 n    gly    95      -6.083 -13.145  11.594  -0.400  -.32711277E+01
PHI     936 h    gly    95      -7.026 -13.474  11.565   0.250  0.39587328E+01
PHI     937 ca   gly    95      -4.889 -14.070  11.630   0.100  0.21594801E+02
PHI     938 c    gly    95      -4.743 -14.849  10.317   0.600  0.28010321E+02
PHI     939 o    gly    95      -5.482 -14.676   9.364  -0.550  -.29599216E+02
PHI     940 n    ser    96      -3.732 -15.733  10.367  -0.400  0.12415344E+02
PHI     941 h    ser    96      -3.151 -15.762  11.180   0.250  0.61164379E+01
PHI     942 ca   ser    96      -3.482 -16.636   9.259   0.100  0.31413879E+02
PHI     943 cb   ser    96      -2.000 -16.992   9.135   0.250  0.73268557E+01
PHI     944 og   ser    96      -1.566 -17.410  10.438  -0.650  -.65400261E+02
PHI     945 hg   ser    96      -1.261 -16.632  10.886   0.400  -.37641319E+02
PHI     946 c    ser    96      -4.371 -17.841   9.395   0.600  0.50089771E+02
PHI     947 o    ser    96      -4.597 -18.491   8.376  -0.550  -.10795616E+02
PHI     948 n    leu    97      -4.862 -18.142  10.593  -0.400  0.75509033E+01
PHI     949 h    leu    97      -4.631 -17.531  11.349   0.250  0.77333941E+01
PHI     950 ca   leu    97      -5.719 -19.311  10.872   0.100  0.17023577E+02
PHI     951 cb   leu    97      -4.994 -20.419  11.611   0.000  0.46513257E+01
PHI     952 cg   leu    97      -3.923 -21.397  11.191   0.000  0.73820263E+00
PHI     953 cd1  leu    97      -4.197 -22.046   9.839   0.000  0.35306230E+00
PHI     954 cd2  leu    97      -2.516 -20.791  11.159   0.000  -.16800585E+00
PHI     955 c    leu    97      -6.882 -18.768  11.743   0.600  0.16999823E+02
PHI     956 o    leu    97      -6.717 -17.717  12.362  -0.550  -.29302727E+02
PHI     957 n    asp    98      -7.980 -19.449  11.824  -0.400  0.14494462E+02
PHI     958 h    asp    98      -8.017 -20.321  11.338   0.250  0.85133219E+01
PHI     959 ca   asp    98      -9.150 -19.024  12.573   0.100  0.28269993E+02
PHI     960 cb   asp    98     -10.409 -19.801  12.238   0.000  -.68498917E+01
PHI     961 cg   asp    98     -10.825 -19.872  10.756   0.140  -.50130146E+02
PHI     962 od1  asp    98     -11.570 -20.788  10.468  -0.570  -.45805767E+02
PHI     963 od2  asp    98     -10.456 -19.023   9.949  -0.570  -.66612053E+02
PHI     964 c    asp    98      -8.962 -19.033  14.111   0.600  0.66888359E+02
PHI     965 o    asp    98      -9.864 -18.445  14.757  -0.550  -.36468360E+01
PHI     966 n    gly    99      -7.973 -19.668  14.582  -0.400  0.18286919E+02
PHI     967 h    gly    99      -7.385 -20.123  13.916   0.250  0.21864239E+02
PHI     968 ca   gly    99      -7.608 -19.800  16.007   0.100  0.17878098E+02
PHI     969 c    gly    99      -6.855 -18.621  16.590   0.600  0.31994499E+02
PHI     970 o    gly    99      -6.563 -18.573  17.761  -0.550  -.82706356E+01
PHI     971 n    gln   100      -6.562 -17.590  15.734  -0.400  -.61122209E+00
PHI     972 h    gln   100      -6.799 -17.676  14.766   0.250  -.32460685E+01
PHI     973 ca   gln   100      -5.905 -16.368  16.236   0.100  0.22350119E+02
PHI     974 cb   gln   100      -4.395 -16.654  16.254   0.000  0.75405793E+01
PHI     975 cg   gln   100      -3.821 -16.775  14.859   0.000  0.15408275E+02
PHI     976 cd   gln   100      -2.377 -17.277  14.861   0.550  0.14797152E+02
PHI     977 oe1  gln   100      -1.919 -18.152  15.586  -0.550  -.91054735E+01
PHI     978 ne2  gln   100      -1.628 -16.694  13.943  -0.600  -.67072787E+01
PHI     979 he21 gln   100      -1.621 -15.697  13.869   0.300  -.40715022E+01
PHI     980 he22 gln   100      -1.064 -17.232  13.316   0.300  -.81916189E+01
PHI     981 c    gln   100      -6.273 -15.190  15.365   0.600  0.25597027E+02
PHI     982 o    gln   100      -6.798 -15.365  14.216  -0.550  -.12585106E+02
PHI     983 n    gly   101      -6.031 -13.972  15.866  -0.400  0.12423189E+02
PHI     984 h    gly   101      -5.574 -13.770  16.729   0.250  0.77140756E+01
PHI     985 ca   gly   101      -6.459 -12.927  14.939   0.100  0.12598907E+02
PHI     986 c    gly   101      -7.001 -11.668  15.560   0.600  0.15195023E+02
PHI     987 o    gly   101      -6.781 -10.561  15.081  -0.550  -.10617271E+02
PHI     988 n    ser   102      -7.699 -11.882  16.681  -0.400  -.95687504E+01
PHI     989 h    ser   102      -7.816 -12.779  17.101   0.250  -.25334653E+00
PHI     990 ca   ser   102      -7.954 -10.671  17.433   0.100  0.10995791E+02
PHI     991 cb   ser   102      -9.209 -10.822  18.308   0.250  0.95207138E+01
PHI     992 og   ser   102      -9.130 -11.894  19.255  -0.650  -.58336568E+01
PHI     993 hg   ser   102      -8.730 -11.433  20.006   0.400  -.43215413E+01
PHI     994 c    ser   102      -6.698 -10.222  18.151   0.600  0.19365320E+02
PHI     995 o    ser   102      -5.703 -10.949  18.220  -0.550  -.32781002E+02
PHI     996 n    glu   103      -6.773  -8.985  18.627  -0.400  0.16433149E+02
PHI     997 h    glu   103      -7.633  -8.476  18.673   0.250  0.96143188E+01
PHI     998 ca   glu   103      -5.634  -8.471  19.368   0.100  0.21767654E+02
PHI     999 cb   glu   103      -5.463  -6.967  19.056   0.000  -.96825367E+00
PHI    1000 cg   glu   103      -5.544  -6.569  17.558   0.000  -.92770452E+01
PHI    1001 cd   glu   103      -4.926  -5.191  17.295   0.140  -.35533466E+02
PHI    1002 oe1  glu   103      -5.299  -4.491  16.345  -0.570  -.21005707E+02
PHI    1003 oe2  glu   103      -4.044  -4.803  18.046  -0.570  -.43041397E+02
PHI    1004 c    glu   103      -5.827  -8.799  20.853   0.600  0.19348446E+02
PHI    1005 o    glu   103      -5.076  -9.544  21.489  -0.550  -.20756628E+02
PHI    1006 n    his   104      -6.935  -8.234  21.376  -0.400  -.21022270E+01
PHI    1007 h    his   104      -7.481  -7.686  20.732   0.250  -.89427586E+01
PHI    1008 ca   his   104      -7.465  -8.601  22.699   0.100  0.31809071E+02
PHI    1009 cb   his   104      -8.794  -7.913  23.028   0.000  0.18931230E+01
PHI    1010 cg   his   104      -8.648  -6.527  23.582   0.100  -.28759780E+01
PHI    1011 nd1  his   104      -8.693  -5.429  22.823  -0.400  -.34009556E+02
PHI    1012 hd1  his   104      -8.866  -5.417  21.848   0.300  -.12544839E+02
PHI    1013 cd2  his   104      -8.471  -6.155  24.915   0.100  -.41272855E+01
PHI    1014 ne2  his   104      -8.399  -4.802  24.962  -0.400  -.49962854E+01
PHI    1015 ce1  his   104      -8.544  -4.360  23.661   0.300  0.55969596E+00
PHI    1016 c    his   104      -7.801 -10.067  22.871   0.600  0.57257755E+02
PHI    1017 o    his   104      -8.042 -10.830  21.932  -0.550  0.11956816E+01
PHI    1018 n    thr   105      -7.909 -10.406  24.169  -0.400  0.73172917E+01
PHI    1019 h    thr   105      -7.524  -9.855  24.909   0.250  0.10646854E+02
PHI    1020 ca   thr   105      -8.299 -11.799  24.447   0.100  0.14459360E+02
PHI    1021 cb   thr   105      -7.096 -12.783  24.646   0.250  0.14365268E+02
PHI    1022 og1  thr   105      -6.237 -12.321  25.733  -0.650  -.45539707E+02
PHI    1023 hg1  thr   105      -6.804 -12.144  26.472   0.400  -.15980508E+02
PHI    1024 cg2  thr   105      -6.224 -12.845  23.358   0.000  0.47506313E+01
PHI    1025 c    thr   105      -9.238 -11.757  25.614   0.600  0.31017801E+02
PHI    1026 o    thr   105      -9.211 -10.846  26.469  -0.550  0.18877692E+01
PHI    1027 n    val   106     -10.052 -12.816  25.787  -0.400  -.15388426E+02
PHI    1028 h    val   106     -10.007 -13.562  25.123   0.250  -.61291957E+01
PHI    1029 ca   val   106     -10.992 -12.906  26.908   0.100  0.96481628E+01
PHI    1030 cb   val   106     -12.420 -12.860  26.428   0.000  0.30967596E+01
PHI    1031 cg1  val   106     -13.482 -13.183  27.558   0.000  0.74377668E+00
PHI    1032 cg2  val   106     -12.799 -11.591  25.760   0.000  -.29593623E+00
PHI    1033 c    val   106     -10.585 -14.213  27.664   0.600  0.19124891E+02
PHI    1034 o    val   106     -10.656 -15.209  27.048  -0.550  -.27846749E+01
PHI    1035 n    asp   107     -10.153 -14.043  28.879  -0.400  -.35199642E+01
PHI    1036 h    asp   107     -10.119 -13.131  29.287   0.250  -.44393072E+01
PHI    1037 ca   asp   107      -9.706 -15.284  29.644   0.100  0.11139439E+02
PHI    1038 cb   asp   107     -10.969 -16.112  30.007   0.000  -.63685298E+01
PHI    1039 cg   asp   107     -11.740 -15.454  31.102   0.140  -.38607323E+02
PHI    1040 od1  asp   107     -12.942 -15.653  31.222  -0.570  -.41411945E+02
PHI    1041 od2  asp   107     -11.162 -14.696  31.859  -0.570  -.59846306E+02
PHI    1042 c    asp   107      -8.756 -16.034  28.765   0.600  0.62381092E+02
PHI    1043 o    asp   107      -8.888 -17.291  28.722  -0.550  -.74797142E+02
PHI    1044 n    lys   108      -7.870 -15.345  28.059  -0.400  0.17414513E+02
PHI    1045 h    lys   108      -7.898 -14.354  28.173   0.250  0.42272365E+00
PHI    1046 ca   lys   108      -6.884 -15.870  27.157   0.100  0.19760075E+02
PHI    1047 cb   lys   108      -6.083 -17.013  27.851   0.000  0.18048843E+01
PHI    1048 cg   lys   108      -5.455 -16.426  29.155   0.000  0.46644449E+01
PHI    1049 cd   lys   108      -4.270 -15.597  28.628   0.000  0.13463516E+02
PHI    1050 ce   lys   108      -3.035 -16.036  29.355   0.250  0.34877644E+02
PHI    1051 nz   lys   108      -3.065 -15.347  30.717  -0.300  0.30847050E+02
PHI    1052 hz1  lys   108      -3.408 -16.015  31.436   0.350  0.25477732E+02
PHI    1053 hz2  lys   108      -3.701 -14.525  30.676   0.350  0.20987301E+02
PHI    1054 hz3  lys   108      -2.106 -15.031  30.967   0.350  0.13727076E+02
PHI    1055 c    lys   108      -7.449 -16.412  25.868   0.600  0.51256428E+02
PHI    1056 o    lys   108      -6.613 -16.954  25.040  -0.550  -.19257632E+01
PHI    1057 n    lys   109      -8.754 -16.345  25.649  -0.400  0.24096022E+01
PHI    1058 h    lys   109      -9.357 -15.936  26.334   0.250  -.12421869E+01
PHI    1059 ca   lys   109      -9.294 -16.889  24.371   0.100  0.20458984E+02
PHI    1060 cb   lys   109     -10.777 -17.144  24.416   0.000  0.85365934E+01
PHI    1061 cg   lys   109     -11.480 -17.619  23.182   0.000  0.12087492E+02
PHI    1062 cd   lys   109     -12.974 -17.891  23.484   0.000  0.15734426E+02
PHI    1063 ce   lys   109     -13.828 -17.838  22.294   0.250  0.26792154E+02
PHI    1064 nz   lys   109     -13.080 -18.182  21.012  -0.300  0.32163322E+02
PHI    1065 hz1  lys   109     -12.555 -19.070  21.145   0.350  0.29901255E+02
PHI    1066 hz2  lys   109     -12.414 -17.416  20.783   0.350  0.27174877E+02
PHI    1067 hz3  lys   109     -13.760 -18.295  20.233   0.350  0.20614239E+02
PHI    1068 c    lys   109      -9.066 -15.812  23.241   0.600  0.43953854E+02
PHI    1069 o    lys   109      -9.330 -14.693  23.493  -0.550  -.10805827E+02
PHI    1070 n    lys   110      -8.591 -16.333  22.132  -0.400  0.27013367E+02
PHI    1071 h    lys   110      -8.431 -17.319  22.098   0.250  0.11663647E+02
PHI    1072 ca   lys   110      -8.288 -15.493  20.934   0.100  0.16309332E+02
PHI    1073 cb   lys   110      -7.006 -15.769  20.245   0.000  0.95220785E+01
PHI    1074 cg   lys   110      -5.695 -15.592  20.974   0.000  0.64184780E+01
PHI    1075 cd   lys   110      -4.643 -16.335  20.117   0.000  0.11459650E+02
PHI    1076 ce   lys   110      -3.266 -15.707  20.394   0.250  0.26301502E+02
PHI    1077 nz   lys   110      -2.562 -16.473  21.453  -0.300  0.32047306E+02
PHI    1078 hz1  lys   110      -2.283 -17.403  21.081   0.350  0.29573259E+02
PHI    1079 hz2  lys   110      -3.196 -16.602  22.267   0.350  0.20318764E+02
PHI    1080 hz3  lys   110      -1.714 -15.951  21.753   0.350  0.24288216E+02
PHI    1081 c    lys   110      -9.370 -15.762  19.896   0.600  0.41238949E+02
PHI    1082 o    lys   110      -9.694 -16.941  19.695  -0.550  -.12232228E+02
PHI    1083 n    tyr   111      -9.862 -14.718  19.290  -0.400  0.69189739E+01
PHI    1084 h    tyr   111      -9.506 -13.827  19.568   0.250  -.60274088E+00
PHI    1085 ca   tyr   111     -10.902 -14.749  18.227   0.100  0.17510014E+02
PHI    1086 cb   tyr   111     -11.903 -13.574  18.494   0.000  0.67133636E+01
PHI    1087 cg   tyr   111     -12.786 -13.868  19.672   0.000  0.45891862E+01
PHI    1088 cd1  tyr   111     -12.493 -13.505  20.979   0.000  0.50534039E+01
PHI    1089 ce1  tyr   111     -13.390 -13.718  22.030   0.000  0.65788884E+01
PHI    1090 cd2  tyr   111     -14.020 -14.491  19.432   0.000  0.63198738E+01
PHI    1091 ce2  tyr   111     -14.905 -14.747  20.514   0.000  0.13925817E+02
PHI    1092 cz   tyr   111     -14.539 -14.403  21.764   0.250  0.39846699E+01
PHI    1093 oh   tyr   111     -15.464 -14.729  22.762  -0.650  -.32918819E+02
PHI    1094 hh   tyr   111     -15.668 -13.954  23.269   0.400  -.15111246E+02
PHI    1095 c    tyr   111     -10.282 -14.677  16.870   0.600  0.38153870E+02
PHI    1096 o    tyr   111      -9.036 -14.355  16.715  -0.550  -.90565170E+02
PHI    1097 n    ala   112     -10.939 -14.994  15.779  -0.400  0.14734578E+02
PHI    1098 h    ala   112     -11.887 -15.281  15.904   0.250  0.93434725E+01
PHI    1099 ca   ala   112     -10.427 -14.968  14.427   0.100  0.18068220E+02
PHI    1100 cb   ala   112     -11.487 -15.521  13.454   0.000  0.91866570E+01
PHI    1101 c    ala   112     -10.058 -13.560  13.913   0.600  0.19374086E+02
PHI    1102 o    ala   112      -9.180 -13.481  13.003  -0.550  -.17411798E+02
PHI    1103 n    ala   113     -10.724 -12.561  14.500  -0.400  0.16722719E+02
PHI    1104 h    ala   113     -11.321 -12.759  15.271   0.250  0.12843902E+02
PHI    1105 ca   ala   113     -10.479 -11.174  14.122   0.100  0.18295507E+02
PHI    1106 cb   ala   113     -11.183 -10.854  12.797   0.000  0.36647034E+01
PHI    1107 c    ala   113     -11.042 -10.265  15.194   0.600  0.24889091E+02
PHI    1108 o    ala   113     -11.899 -10.729  15.958  -0.550  -.14019465E+02
PHI    1109 n    glu   114     -10.591  -8.984  15.188  -0.400  0.32844908E+01
PHI    1110 h    glu   114      -9.845  -8.792  14.547   0.250  -.35639524E+01
PHI    1111 ca   glu   114     -11.110  -7.898  16.036   0.100  0.54095726E+01
PHI    1112 cb   glu   114     -10.063  -7.573  17.108   0.000  0.20337901E+01
PHI    1113 cg   glu   114     -10.495  -6.772  18.345   0.000  -.38810046E+01
PHI    1114 cd   glu   114      -9.443  -6.968  19.429   0.140  -.53582516E+02
PHI    1115 oe1  glu   114      -9.245  -8.100  19.838  -0.570  -.84511826E+02
PHI    1116 oe2  glu   114      -8.803  -6.021  19.880  -0.570  -.65881195E+02
PHI    1117 c    glu   114     -11.427  -6.662  15.198   0.600  0.37335461E+02
PHI    1118 o    glu   114     -10.677  -6.308  14.308  -0.550  -.10013591E+02
PHI    1119 n    leu   115     -12.577  -6.039  15.449  -0.400  0.15802805E+02
PHI    1120 h    leu   115     -13.124  -6.297  16.248   0.250  -.21431297E+00
PHI    1121 ca   leu   115     -12.881  -4.801  14.734   0.100  0.16391733E+02
PHI    1122 cb   leu   115     -14.333  -4.863  14.249   0.000  0.67684846E+01
PHI    1123 cg   leu   115     -14.878  -3.616  13.544   0.000  0.42255950E+01
PHI    1124 cd1  leu   115     -14.005  -3.139  12.388   0.000  0.14438983E+01
PHI    1125 cd2  leu   115     -16.327  -3.819  13.112   0.000  0.13621413E+01
PHI    1126 c    leu   115     -12.621  -3.597  15.619   0.600  0.18259329E+02
PHI    1127 o    leu   115     -13.079  -3.541  16.752  -0.550  -.38123894E+02
PHI    1128 n    hsd   116     -11.852  -2.660  15.059  -0.400  -.50934958E+01
PHI    1129 h    hsd   116     -11.508  -2.794  14.130   0.250  0.34744668E+01
PHI    1130 ca   hsd   116     -11.451  -1.460  15.781   0.100  0.13123329E+03
PHI    1131 cb   hsd   116      -9.928  -1.282  15.680   0.000  0.13510452E+02
PHI    1132 cg   hsd   116      -9.130  -2.303  16.473   0.100  0.11022941E+03
PHI    1133 nd1  hsd   116      -7.936  -2.018  17.033  -0.400  -.36181824E+03
PHI    1134 ce1  hsd   116      -7.522  -3.151  17.689   0.300  0.12108104E+02
PHI    1135 cd2  hsd   116      -9.446  -3.633  16.781   0.100  -.17950820E+01
PHI    1136 ne2  hsd   116      -8.443  -4.145  17.538  -0.400  -.25587935E+01
PHI    1137 he2  hsd   116      -8.429  -5.006  18.016   0.300  0.36420660E+01
PHI    1138 c    hsd   116     -12.159  -0.280  15.139   0.600  0.49918155E+03
PHI    1139 o    hsd   116     -12.108  -0.098  13.931  -0.550  -.50459634E+03
PHI    1140 n    leu   117     -12.866   0.488  15.991  -0.400  0.12235520E+02
PHI    1141 h    leu   117     -12.798   0.213  16.952   0.250  0.55296197E+01
PHI    1142 ca   leu   117     -13.675   1.631  15.539   0.100  0.27364935E+02
PHI    1143 cb   leu   117     -15.184   1.418  15.720   0.000  0.65814037E+01
PHI    1144 cg   leu   117     -15.825   0.249  14.969   0.000  0.27865512E+01
PHI    1145 cd1  leu   117     -15.877  -1.026  15.810   0.000  0.26259077E+01
PHI    1146 cd2  leu   117     -17.215   0.622  14.450   0.000  0.79233140E+00
PHI    1147 c    leu   117     -13.304   2.951  16.201   0.600  0.16064249E+02
PHI    1148 o    leu   117     -13.751   3.292  17.302  -0.550  -.39462402E+01
PHI    1149 n    val   118     -12.464   3.667  15.451  -0.400  -.25246136E+01
PHI    1150 h    val   118     -12.348   3.438  14.483   0.250  -.13417510E+01
PHI    1151 ca   val   118     -11.744   4.800  16.009   0.100  0.11997309E+03
PHI    1152 cb   val   118     -10.317   4.854  15.469   0.000  0.12230536E+02
PHI    1153 cg1  val   118      -9.458   5.859  16.245   0.000  0.73331056E+01
PHI    1154 cg2  val   118      -9.711   3.451  15.445   0.000  0.79588556E+01
PHI    1155 c    val   118     -12.431   6.134  15.837   0.600  0.53162022E+01
PHI    1156 o    val   118     -12.691   6.660  14.755  -0.550  -.10558102E+02
PHI    1157 n    his   119     -12.720   6.647  17.037  -0.400  -.29491034E+00
PHI    1158 h    his   119     -12.369   6.139  17.827   0.250  0.10150394E+02
PHI    1159 ca   his   119     -13.360   7.945  17.212   0.100  0.21937704E+02
PHI    1160 cb   his   119     -14.525   7.844  18.179   0.000  0.12474854E+02
PHI    1161 cg   his   119     -15.542   6.835  17.741   0.100  -.98106158E+00
PHI    1162 nd1  his   119     -15.321   5.510  17.686  -0.400  0.39081450E+01
PHI    1163 hd1  his   119     -14.498   5.028  17.934   0.300  0.71206803E+01
PHI    1164 cd2  his   119     -16.859   7.109  17.375   0.100  -.35352809E+01
PHI    1165 ne2  his   119     -17.459   5.933  17.098  -0.400  -.56946225E+01
PHI    1166 ce1  his   119     -16.509   4.954  17.293   0.300  0.18609818E+02
PHI    1167 c    his   119     -12.399   8.885  17.876   0.600  0.11176619E+02
PHI    1168 o    his   119     -11.488   8.408  18.549  -0.550  -.44140817E+03
PHI    1169 n    trp   120     -12.686  10.180  17.711  -0.400  0.15216447E+02
PHI    1170 h    trp   120     -13.356  10.408  17.004   0.250  0.16159363E+02
PHI    1171 ca   trp   120     -11.878  11.240  18.409   0.100  0.22986712E+02
PHI    1172 cb   trp   120     -10.841  11.842  17.435   0.000  0.62352123E+01
PHI    1173 cg   trp   120     -11.423  12.538  16.237  -0.030  -.20768611E+01
PHI    1174 cd2  trp   120     -11.802  13.893  16.131   0.100  0.71693122E+00
PHI    1175 ce2  trp   120     -12.293  14.083  14.802  -0.040  -.10965713E+02
PHI    1176 ce3  trp   120     -11.782  14.973  17.002  -0.030  -.20463553E+00
PHI    1177 cd1  trp   120     -11.664  11.965  14.982   0.060  -.81181335E+01
PHI    1178 ne1  trp   120     -12.193  12.906  14.134  -0.360  -.20273783E+02
PHI    1179 he1  trp   120     -12.455  12.753  13.202   0.300  -.23432016E+02
PHI    1180 cz2  trp   120     -12.775  15.321  14.377   0.000  -.45397749E+01
PHI    1181 cz3  trp   120     -12.279  16.186  16.637   0.000  -.14347390E+01
PHI    1182 ch2  trp   120     -12.772  16.337  15.303   0.000  -.16208267E+01
PHI    1183 c    trp   120     -12.743  12.246  19.100   0.600  0.30705607E+01
PHI    1184 o    trp   120     -13.862  12.618  18.566  -0.550  -.28203562E+02
PHI    1185 n    asn   121     -12.294  12.738  20.235  -0.400  0.75595574E+01
PHI    1186 h    asn   121     -11.391  12.420  20.515   0.250  0.66143143E+00
PHI    1187 ca   asn   121     -12.962  13.691  21.128   0.100  0.25187731E+02
PHI    1188 cb   asn   121     -12.213  13.769  22.467   0.000  0.19424076E+02
PHI    1189 cg   asn   121     -13.031  14.437  23.523   0.550  0.51265616E+01
PHI    1190 od1  asn   121     -13.857  15.321  23.178  -0.550  -.20643560E+02
PHI    1191 nd2  asn   121     -12.784  14.027  24.785  -0.600  0.42930460E+01
PHI    1192 hd21 asn   121     -11.997  13.439  24.970   0.300  0.58282719E+01
PHI    1193 hd22 asn   121     -13.375  14.301  25.543   0.300  0.11812322E+02
PHI    1194 c    asn   121     -13.075  15.058  20.424   0.600  0.88356161E+01
PHI    1195 o    asn   121     -12.039  15.634  20.180  -0.550  -.50988110E+02
PHI    1196 n    thr   122     -14.343  15.435  20.193  -0.400  0.81906462E+01
PHI    1197 h    thr   122     -15.114  14.890  20.520   0.250  0.34694092E+01
PHI    1198 ca   thr   122     -14.528  16.702  19.427   0.100  0.28916906E+02
PHI    1199 cb   thr   122     -16.015  16.842  18.972   0.250  0.13764540E+01
PHI    1200 og1  thr   122     -16.763  16.931  20.231  -0.650  -.22233755E+02
PHI    1201 hg1  thr   122     -16.364  16.313  20.829   0.400  -.47909519E+00
PHI    1202 cg2  thr   122     -16.522  15.732  18.059   0.000  0.62127490E+01
PHI    1203 c    thr   122     -14.082  17.957  20.117   0.600  0.17265806E+02
PHI    1204 o    thr   122     -13.906  19.036  19.394  -0.550  -.39658511E+01
PHI    1205 n    lys   123     -13.839  17.854  21.931  -0.400  0.91923628E+01
PHI    1206 h    lys   123     -13.989  17.099  22.545   0.250  0.12453608E+02
PHI    1207 ca   lys   123     -13.372  19.186  22.177   0.100  0.54229274E+01
PHI    1208 cb   lys   123     -13.230  19.518  23.676   0.000  0.38432226E+01
PHI    1209 cg   lys   123     -12.168  18.465  24.197   0.000  0.93002367E+01
PHI    1210 cd   lys   123     -11.975  18.552  25.715   0.000  0.14682112E+02
PHI    1211 ce   lys   123     -12.450  17.402  26.469   0.250  0.18125565E+02
PHI    1212 nz   lys   123     -11.838  17.175  27.830  -0.300  0.24414585E+02
PHI    1213 hz1  lys   123     -12.483  17.532  28.564   0.350  0.16984146E+02
PHI    1214 hz2  lys   123     -10.931  17.680  27.891   0.350  0.12041908E+02
PHI    1215 hz3  lys   123     -11.679  16.157  27.973   0.350  0.11712646E+02
PHI    1216 c    lys   123     -11.932  19.415  21.663   0.600  0.21241241E+02
PHI    1217 o    lys   123     -11.607  20.604  21.888  -0.550  0.23677738E+01
PHI    1218 n    tyr   124     -11.242  18.469  21.083  -0.400  0.11926147E+02
PHI    1219 h    tyr   124     -11.636  17.559  20.953   0.250  0.19889462E+02
PHI    1220 ca   tyr   124      -9.890  18.789  20.638   0.100  0.74495625E+01
PHI    1221 cb   tyr   124      -8.912  17.635  20.941   0.000  0.63320594E+01
PHI    1222 cg   tyr   124      -8.868  17.298  22.409   0.000  0.58413563E+01
PHI    1223 cd1  tyr   124      -9.335  16.073  22.898   0.000  0.56178193E+01
PHI    1224 ce1  tyr   124      -9.324  15.732  24.236   0.000  0.90134802E+01
PHI    1225 cd2  tyr   124      -8.311  18.224  23.329   0.000  0.43136201E+01
PHI    1226 ce2  tyr   124      -8.285  17.850  24.698   0.000  0.44732308E+01
PHI    1227 cz   tyr   124      -8.801  16.632  25.127   0.250  -.68208593E+00
PHI    1228 oh   tyr   124      -8.721  16.392  26.489  -0.650  -.16339605E+02
PHI    1229 hh   tyr   124      -8.188  15.623  26.644   0.400  -.45671544E+01
PHI    1230 c    tyr   124      -9.796  19.301  19.194   0.600  0.89620695E+01
PHI    1231 o    tyr   124      -8.666  19.602  18.744  -0.550  -.14910441E+02
PHI    1232 n    gly   125     -10.936  19.353  18.463  -0.400  0.51642318E+01
PHI    1233 h    gly   125     -11.784  19.009  18.866   0.250  0.13039827E+02
PHI    1234 ca   gly   125     -10.941  19.889  17.135   0.100  0.21370642E+02
PHI    1235 c    gly   125     -10.500  19.134  15.935   0.600  0.22329315E+02
PHI    1236 o    gly   125     -11.101  19.374  14.851  -0.550  -.47648211E+01
PHI    1237 n    asp   126      -9.529  18.269  16.007  -0.400  0.11224521E+02
PHI    1238 h    asp   126      -9.087  18.163  16.896   0.250  0.82875910E+01
PHI    1239 ca   asp   126      -9.041  17.450  14.901   0.100  0.24374577E+02
PHI    1240 cb   asp   126      -8.159  18.188  13.922   0.000  -.15379740E+01
PHI    1241 cg   asp   126      -6.859  18.644  14.471   0.140  -.30881529E+02
PHI    1242 od1  asp   126      -5.976  17.900  14.881  -0.570  -.58955021E+02
PHI    1243 od2  asp   126      -6.645  19.888  14.620  -0.570  -.42545143E+02
PHI    1244 c    asp   126      -8.422  16.188  15.521   0.600  0.17559004E+02
PHI    1245 o    asp   126      -8.091  16.157  16.737  -0.550  -.28000927E+02
PHI    1246 n    phe   127      -8.355  15.165  14.659  -0.400  0.21409222E+02
PHI    1247 h    phe   127      -8.717  15.253  13.728   0.250  0.19028032E+02
PHI    1248 ca   phe   127      -7.772  13.901  15.083   0.100  0.37488571E+02
PHI    1249 cb   phe   127      -7.825  12.908  13.915   0.000  0.78267665E+01
PHI    1250 cg   phe   127      -7.404  11.532  14.370   0.000  0.45788546E+01
PHI    1251 cd1  phe   127      -6.052  11.145  14.245   0.000  0.20500546E+01
PHI    1252 cd2  phe   127      -8.367  10.665  14.926   0.000  0.23682442E+01
PHI    1253 ce1  phe   127      -5.648   9.890  14.733   0.000  0.19892015E+01
PHI    1254 ce2  phe   127      -7.966   9.408  15.411   0.000  0.26791484E+01
PHI    1255 cz   phe   127      -6.605   9.050  15.338   0.000  0.26263471E+01
PHI    1256 c    phe   127      -6.359  14.096  15.606   0.600  0.30158144E+02
PHI    1257 o    phe   127      -5.966  13.626  16.668  -0.550  -.45785706E+02
PHI    1258 n    gly   128      -5.601  14.860  14.814  -0.400  0.19079964E+02
PHI    1259 h    gly   128      -6.038  15.251  14.004   0.250  0.15357071E+02
PHI    1260 ca   gly   128      -4.179  15.143  15.126   0.100  0.16423697E+02
PHI    1261 c    gly   128      -4.003  15.727  16.544   0.600  0.20319210E+02
PHI    1262 o    gly   128      -3.026  15.413  17.207  -0.550  -.32453220E+02
PHI    1263 n    lys   129      -4.940  16.546  16.948  -0.400  0.90209179E+01
PHI    1264 h    lys   129      -5.717  16.746  16.351   0.250  -.10602188E+02
PHI    1265 ca   lys   129      -4.832  17.168  18.294   0.100  0.19192236E+02
PHI    1266 cb   lys   129      -5.599  18.414  18.427   0.000  0.42211809E+01
PHI    1267 cg   lys   129      -5.160  19.757  17.928   0.000  0.29643169E+00
PHI    1268 cd   lys   129      -3.622  19.829  18.045   0.000  0.10396292E+02
PHI    1269 ce   lys   129      -3.036  21.116  17.568   0.250  0.23188740E+02
PHI    1270 nz   lys   129      -2.582  21.887  18.840  -0.300  0.28569885E+02
PHI    1271 hz1  lys   129      -1.760  21.408  19.261   0.350  0.23436859E+02
PHI    1272 hz2  lys   129      -3.361  21.908  19.529   0.350  0.25155128E+02
PHI    1273 hz3  lys   129      -2.321  22.860  18.581   0.350  0.15419270E+02
PHI    1274 c    lys   129      -5.263  16.171  19.370   0.600  0.95785913E+01
PHI    1275 o    lys   129      -4.692  16.177  20.484  -0.550  -.10850654E+02
PHI    1276 n    ala   130      -6.266  15.405  19.074  -0.400  0.13072186E+02
PHI    1277 h    ala   130      -6.684  15.540  18.177   0.250  0.16189325E+02
PHI    1278 ca   ala   130      -6.826  14.374  19.935   0.100  0.22990963E+02
PHI    1279 cb   ala   130      -7.962  13.652  19.192   0.000  0.98347998E+01
PHI    1280 c    ala   130      -5.820  13.305  20.384   0.600  0.98562708E+01
PHI    1281 o    ala   130      -5.866  12.928  21.573  -0.550  -.25338745E+02
PHI    1282 n    val   131      -4.968  12.847  19.493  -0.400  0.50951381E+01
PHI    1283 h    val   131      -5.014  13.186  18.553   0.250  0.10450431E+02
PHI    1284 ca   val   131      -3.959  11.848  19.874   0.100  0.98433647E+01
PHI    1285 cb   val   131      -3.237  11.233  18.659   0.000  0.91892672E+01
PHI    1286 cg1  val   131      -4.153  10.343  17.871   0.000  0.37362382E+01
PHI    1287 cg2  val   131      -2.539  12.278  17.833   0.000  0.56279445E+01
PHI    1288 c    val   131      -2.963  12.404  20.866   0.600  0.42922646E+02
PHI    1289 o    val   131      -2.146  11.617  21.417  -0.550  -.16994856E+02
PHI    1290 n    gln   132      -2.847  13.662  21.215  -0.400  0.26241450E+01
PHI    1291 h    gln   132      -3.455  14.329  20.786   0.250  -.25522771E+01
PHI    1292 ca   gln   132      -1.872  14.115  22.197   0.100  0.21079285E+02
PHI    1293 cb   gln   132      -1.329  15.505  21.731   0.000  0.46641078E+01
PHI    1294 cg   gln   132      -0.837  15.260  20.282   0.000  0.12149446E+02
PHI    1295 cd   gln   132      -0.262  16.410  19.536   0.550  0.17864130E+01
PHI    1296 oe1  gln   132       0.027  16.277  18.316  -0.550  -.55091427E+02
PHI    1297 ne2  gln   132      -0.065  17.586  20.137  -0.600  0.41371827E+01
PHI    1298 he21 gln   132      -0.163  17.658  21.130   0.300  0.89599285E+01
PHI    1299 he22 gln   132       0.180  18.401  19.613   0.300  0.11626723E+02
PHI    1300 c    gln   132      -2.513  14.256  23.563   0.600  0.16008562E+02
PHI    1301 o    gln   132      -1.941  14.890  24.425  -0.550  -.18484713E+02
PHI    1302 n    gln   133      -3.757  13.779  23.710  -0.400  0.10103665E+02
PHI    1303 h    gln   133      -4.214  13.338  22.937   0.250  0.13892616E+02
PHI    1304 ca   gln   133      -4.430  13.911  25.004   0.100  0.17521370E+02
PHI    1305 cb   gln   133      -5.724  14.701  24.798   0.000  0.68494368E+01
PHI    1306 cg   gln   133      -5.647  15.965  24.055   0.000  0.56434851E+01
PHI    1307 cd   gln   133      -4.859  17.045  24.825   0.550  -.24457004E+01
PHI    1308 oe1  gln   133      -4.136  17.739  24.137  -0.550  -.17788902E+02
PHI    1309 ne2  gln   133      -5.006  17.106  26.107  -0.600  -.43548827E+01
PHI    1310 he21 gln   133      -4.401  17.690  26.648   0.300  -.12681347E+00
PHI    1311 he22 gln   133      -5.716  16.579  26.572   0.300  0.30028741E+01
PHI    1312 c    gln   133      -4.764  12.558  25.620   0.600  0.73834763E+02
PHI    1313 o    gln   133      -4.946  11.626  24.834  -0.550  -.11275842E+01
PHI    1314 n    pro   134      -4.843  12.559  26.944  -0.250  0.15676718E+02
PHI    1315 cd   pro   134      -4.658  13.701  27.855   0.100  0.94916639E+01
PHI    1316 ca   pro   134      -5.175  11.358  27.682   0.100  0.31992695E+02
PHI    1317 cb   pro   134      -4.952  11.750  29.161   0.000  0.93638687E+01
PHI    1318 cg   pro   134      -5.345  13.230  29.163   0.000  0.58768644E+01
PHI    1319 c    pro   134      -6.550  10.834  27.376   0.600  0.33654610E+02
PHI    1320 o    pro   134      -6.793   9.618  27.445  -0.550  -.34567970E+02
PHI    1321 n    asp   135      -7.523  11.701  27.079  -0.400  0.65392003E+01
PHI    1322 h    asp   135      -7.335  12.683  27.077   0.250  0.51083255E+01
PHI    1323 ca   asp   135      -8.886  11.173  26.753   0.100  0.30700405E+02
PHI    1324 cb   asp   135      -9.852  11.852  27.657   0.000  -.58869400E+01
PHI    1325 cg   asp   135      -9.689  13.352  27.656   0.140  -.51135460E+02
PHI    1326 od1  asp   135     -10.513  14.045  28.239  -0.570  -.85981590E+02
PHI    1327 od2  asp   135      -8.681  13.907  27.190  -0.570  -.87119812E+02
PHI    1328 c    asp   135      -9.249  11.548  25.280   0.600  0.27956156E+02
PHI    1329 o    asp   135     -10.447  11.736  24.963  -0.550  -.26059856E+02
PHI    1330 n    gly   136      -8.261  11.562  24.453  -0.400  0.12989281E+02
PHI    1331 h    gly   136      -7.362  11.299  24.801   0.250  0.10979955E+02
PHI    1332 ca   gly   136      -8.385  11.936  23.057   0.100  0.25802290E+02
PHI    1333 c    gly   136      -9.144  11.046  22.165   0.600  0.48463551E+02
PHI    1334 o    gly   136      -9.871  11.631  21.326  -0.550  -.11174455E+02
PHI    1335 n    leu   137      -9.022   9.725  22.272  -0.400  -.72834616E+01
PHI    1336 h    leu   137      -8.424   9.415  23.010   0.250  -.75922923E+01
PHI    1337 ca   leu   137      -9.716   8.942  21.236   0.100  0.84551651E+02
PHI    1338 cb   leu   137      -8.728   8.187  20.348   0.000  0.59862947E+01
PHI    1339 cg   leu   137      -7.543   8.956  19.784   0.000  0.39588997E+01
PHI    1340 cd1  leu   137      -6.594   7.996  19.084   0.000  0.39760704E+01
PHI    1341 cd2  leu   137      -7.962  10.079  18.848   0.000  0.31957839E+01
PHI    1342 c    leu   137     -10.563   7.854  21.841   0.600  0.33137074E+02
PHI    1343 o    leu   137     -10.135   7.276  22.837  -0.550  -.14417010E+02
PHI    1344 n    ala   138     -11.681   7.466  21.210  -0.400  -.45870248E+03
PHI    1345 h    ala   138     -11.937   7.958  20.369   0.250  0.16672566E+03
PHI    1346 ca   ala   138     -12.282   6.223  21.730   0.100  0.58768649E+01
PHI    1347 cb   ala   138     -13.675   6.475  22.304   0.000  0.44818053E+01
PHI    1348 c    ala   138     -12.399   5.143  20.673   0.600  0.23359596E+02
PHI    1349 o    ala   138     -12.700   5.481  19.537  -0.550  -.63002634E+01
PHI    1350 n    val   139     -12.199   3.871  21.051  -0.400  -.27955649E+03
PHI    1351 h    val   139     -12.060   3.604  22.009   0.250  -.40672264E+01
PHI    1352 ca   val   139     -12.181   2.839  20.005   0.100  0.78362091E+02
PHI    1353 cb   val   139     -10.748   2.329  19.756   0.000  0.83626680E+01
PHI    1354 cg1  val   139     -10.707   1.187  18.739   0.000  0.72455320E+01
PHI    1355 cg2  val   139      -9.815   3.457  19.313   0.000  0.64141035E+01
PHI    1356 c    val   139     -13.102   1.686  20.357   0.600  0.15053603E+02
PHI    1357 o    val   139     -12.960   1.081  21.410  -0.550  -.17492752E+02
PHI    1358 n    leu   140     -14.075   1.428  19.462  -0.400  0.15696558E+02
PHI    1359 h    leu   140     -14.059   1.771  18.522   0.250  0.15979807E+02
PHI    1360 ca   leu   140     -15.004   0.341  19.773   0.100  0.22303091E+02
PHI    1361 cb   leu   140     -16.384   0.569  19.156   0.000  0.52391477E+01
PHI    1362 cg   leu   140     -17.199   1.696  19.782   0.000  0.17022530E+01
PHI    1363 cd1  leu   140     -18.481   1.957  18.991   0.000  0.20145270E+00
PHI    1364 cd2  leu   140     -17.499   1.423  21.255   0.000  0.75869107E+00
PHI    1365 c    leu   140     -14.436  -0.957  19.261   0.600  0.18695082E+02
PHI    1366 o    leu   140     -13.643  -0.933  18.325  -0.550  -.71383400E+02
PHI    1367 n    gly   141     -14.830  -2.026  19.957  -0.400  0.12502929E+01
PHI    1368 h    gly   141     -15.494  -1.947  20.699   0.250  0.10302327E+01
PHI    1369 ca   gly   141     -14.152  -3.307  19.835   0.100  0.21730696E+02
PHI    1370 c    gly   141     -15.098  -4.477  19.743   0.600  0.55314777E+02
PHI    1371 o    gly   141     -15.769  -4.935  20.671  -0.550  -.59429336E+01
PHI    1372 n    ile   142     -15.145  -4.964  18.506  -0.400  0.31873307E+01
PHI    1373 h    ile   142     -14.550  -4.575  17.796   0.250  -.34554069E+01
PHI    1374 ca   ile   142     -15.925  -6.181  18.361   0.100  0.20013071E+02
PHI    1375 cb   ile   142     -16.919  -6.010  17.203   0.000  0.33921676E+01
PHI    1376 cg2  ile   142     -17.930  -7.156  17.194   0.000  0.13552778E+01
PHI    1377 cg1  ile   142     -17.645  -4.670  17.376   0.000  -.21450083E+00
PHI    1378 cd1  ile   142     -18.546  -4.288  16.207   0.000  -.13404459E+01
PHI    1379 c    ile   142     -15.003  -7.379  18.202   0.600  0.60849518E+02
PHI    1380 o    ile   142     -13.976  -7.311  17.547  -0.550  0.48017111E+00
PHI    1381 n    phe   143     -15.399  -8.491  18.841  -0.400  0.84449139E+01
PHI    1382 h    phe   143     -16.259  -8.492  19.348   0.250  0.87929039E+01
PHI    1383 ca   phe   143     -14.670  -9.711  18.490   0.100  0.33342255E+02
PHI    1384 cb   phe   143     -14.624 -10.677  19.670   0.000  0.70236268E+01
PHI    1385 cg   phe   143     -13.804 -10.126  20.809   0.000  0.83468479E+00
PHI    1386 cd1  phe   143     -12.401 -10.035  20.676   0.000  -.22768624E+01
PHI    1387 cd2  phe   143     -14.457  -9.736  21.997   0.000  -.10793748E+01
PHI    1388 ce1  phe   143     -11.637  -9.567  21.759   0.000  -.33409114E+01
PHI    1389 ce2  phe   143     -13.692  -9.266  23.081   0.000  -.22456901E+01
PHI    1390 cz   phe   143     -12.289  -9.196  22.954   0.000  -.21096492E+01
PHI    1391 c    phe   143     -15.359 -10.394  17.333   0.600  0.13133730E+02
PHI    1392 o    phe   143     -16.569 -10.231  17.149  -0.550  -.33204288E+02
PHI    1393 n    leu   144     -14.606 -11.173  16.562  -0.400  0.19856067E+01
PHI    1394 h    leu   144     -13.629 -11.135  16.768   0.250  0.12379479E+02
PHI    1395 ca   leu   144     -15.254 -11.899  15.467   0.100  0.24493732E+02
PHI    1396 cb   leu   144     -14.773 -11.418  14.090   0.000  0.73379507E+01
PHI    1397 cg   leu   144     -15.244 -10.047  13.579   0.000  0.30981047E+01
PHI    1398 cd1  leu   144     -14.633  -8.848  14.307   0.000  0.25113678E+01
PHI    1399 cd2  leu   144     -14.991  -9.925  12.078   0.000  0.18878533E+01
PHI    1400 c    leu   144     -14.989 -13.390  15.571   0.600  0.45537933E+02
PHI    1401 o    leu   144     -13.876 -13.807  15.863  -0.550  -.81087275E+01
PHI    1402 n    lys   145     -16.015 -14.213  15.330  -0.400  -.28122170E+01
PHI    1403 h    lys   145     -16.948 -13.871  15.216   0.250  -.10552130E+02
PHI    1404 ca   lys   145     -15.775 -15.655  15.466   0.100  0.22901115E+02
PHI    1405 cb   lys   145     -16.527 -16.305  16.603   0.000  0.11906124E+02
PHI    1406 cg   lys   145     -18.041 -16.349  16.363   0.000  0.63685861E+01
PHI    1407 cd   lys   145     -18.733 -17.087  17.521   0.000  0.12968943E+02
PHI    1408 ce   lys   145     -20.211 -16.828  17.436   0.250  0.18060907E+02
PHI    1409 nz   lys   145     -20.974 -17.217  18.653  -0.300  0.26506920E+02
PHI    1410 hz1  lys   145     -20.874 -16.477  19.376   0.350  0.18621811E+02
PHI    1411 hz2  lys   145     -20.603 -18.115  19.023   0.350  0.14598064E+02
PHI    1412 hz3  lys   145     -21.979 -17.331  18.410   0.350  0.23283213E+02
PHI    1413 c    lys   145     -16.206 -16.228  14.105   0.600  0.13770537E+02
PHI    1414 o    lys   145     -17.061 -15.647  13.431  -0.550  -.21755779E+01
PHI    1415 n    val   146     -15.712 -17.363  13.720  -0.400  -.14031470E+02
PHI    1416 h    val   146     -15.049 -17.844  14.294   0.250  -.32516935E+01
PHI    1417 ca   val   146     -16.166 -17.939  12.380   0.100  0.22097178E+02
PHI    1418 cb   val   146     -14.978 -18.675  11.774   0.000  0.89887867E+01
PHI    1419 cg1  val   146     -15.261 -19.432  10.451   0.000  0.38602786E+01
PHI    1420 cg2  val   146     -13.833 -17.713  11.598   0.000  0.18308672E+01
PHI    1421 c    val   146     -17.404 -18.806  12.623   0.600  0.24238150E+02
PHI    1422 o    val   146     -17.355 -19.634  13.493  -0.550  -.11034854E+02
PHI    1423 n    gly   147     -18.465 -18.556  11.875  -0.400  0.18502932E+02
PHI    1424 h    gly   147     -18.381 -17.807  11.220   0.250  0.45583467E+01
PHI    1425 ca   gly   147     -19.702 -19.253  11.921   0.100  0.14905334E+02
PHI    1426 c    gly   147     -20.505 -18.846  10.684   0.600  0.49344837E+02
PHI    1427 o    gly   147     -20.027 -19.033   9.541  -0.550  -.24166805E+02
PHI    1428 n    ser   148     -21.671 -18.301  10.976  -0.400  0.24335052E+02
PHI    1429 h    ser   148     -21.939 -18.205  11.935   0.250  0.11402603E+02
PHI    1430 ca   ser   148     -22.568 -17.839   9.903   0.100  0.29455194E+02
PHI    1431 cb   ser   148     -23.978 -17.677  10.462   0.250  0.19427893E+02
PHI    1432 og   ser   148     -24.106 -18.972  11.116  -0.650  -.45426533E+02
PHI    1433 hg   ser   148     -23.365 -19.493  10.836   0.400  -.16213552E+02
PHI    1434 c    ser   148     -22.035 -16.537   9.333   0.600  0.24944872E+02
PHI    1435 o    ser   148     -21.335 -15.784  10.052  -0.550  -.24752407E+02
PHI    1436 n    ala   149     -22.439 -16.291   8.095  -0.400  -.33067343E+00
PHI    1437 h    ala   149     -23.045 -16.954   7.657   0.250  0.14973475E+01
PHI    1438 ca   ala   149     -22.029 -15.084   7.348   0.100  0.19110451E+02
PHI    1439 cb   ala   149     -22.453 -15.225   5.858   0.000  0.65288663E+01
PHI    1440 c    ala   149     -22.684 -13.885   7.982   0.600  0.32099186E+02
PHI    1441 o    ala   149     -23.738 -14.038   8.586  -0.550  -.18904156E+02
PHI    1442 n    lys   150     -22.068 -12.757   7.922  -0.400  0.14029831E+02
PHI    1443 h    lys   150     -21.177 -12.774   7.474   0.250  0.17157648E+02
PHI    1444 ca   lys   150     -22.526 -11.456   8.436   0.100  0.36930058E+02
PHI    1445 cb   lys   150     -21.436 -10.677   9.161   0.000  0.96684828E+01
PHI    1446 cg   lys   150     -21.953  -9.414   9.845   0.000  0.99778776E+01
PHI    1447 cd   lys   150     -22.756  -9.775  11.123   0.000  0.10986300E+02
PHI    1448 ce   lys   150     -23.206  -8.469  11.779   0.250  0.26421154E+02
PHI    1449 nz   lys   150     -24.051  -8.774  12.977  -0.300  0.32180687E+02
PHI    1450 hz1  lys   150     -23.562  -9.467  13.579   0.350  0.24568771E+02
PHI    1451 hz2  lys   150     -24.963  -9.166  12.667   0.350  0.13448784E+02
PHI    1452 hz3  lys   150     -24.215  -7.900  13.517   0.350  0.25096331E+02
PHI    1453 c    lys   150     -22.863 -10.680   7.147   0.600  0.20819136E+02
PHI    1454 o    lys   150     -21.945 -10.279   6.384  -0.550  -.12960716E+02
PHI    1455 n    pro   151     -24.105 -10.517   6.935  -0.250  0.11625267E+02
PHI    1456 cd   pro   151     -25.236 -10.972   7.835   0.100  0.15652226E+02
PHI    1457 ca   pro   151     -24.658  -9.804   5.802   0.100  0.11507135E+02
PHI    1458 cb   pro   151     -26.152  -9.778   6.020   0.000  0.86065350E+01
PHI    1459 cg   pro   151     -26.334 -11.177   6.704   0.000  0.56033359E+01
PHI    1460 c    pro   151     -24.036  -8.448   5.609   0.600  0.27320641E+02
PHI    1461 o    pro   151     -23.648  -8.314   4.458  -0.550  -.12151505E+02
PHI    1462 n    gly   152     -23.998  -7.663   6.657  -0.400  0.23228916E+02
PHI    1463 h    gly   152     -24.341  -8.026   7.522   0.250  0.18538786E+02
PHI    1464 ca   gly   152     -23.487  -6.307   6.622   0.100  0.10247846E+02
PHI    1465 c    gly   152     -21.990  -6.148   6.260   0.600  0.16996422E+02
PHI    1466 o    gly   152     -21.589  -5.052   5.933  -0.550  -.56292892E+01
PHI    1467 n    leu   153     -21.240  -7.213   6.290  -0.400  -.70700532E+00
PHI    1468 h    leu   153     -21.653  -8.084   6.556   0.250  0.17155203E+02
PHI    1469 ca   leu   153     -19.798  -7.156   5.940   0.100  0.22627510E+02
PHI    1470 cb   leu   153     -19.122  -8.187   6.891   0.000  0.10609634E+02
PHI    1471 cg   leu   153     -17.616  -8.345   6.789   0.000  0.25287912E+01
PHI    1472 cd1  leu   153     -16.935  -7.003   7.163   0.000  0.86137635E+00
PHI    1473 cd2  leu   153     -17.109  -9.411   7.732   0.000  0.17123629E+01
PHI    1474 c    leu   153     -19.496  -7.437   4.523   0.600  0.50476116E+02
PHI    1475 o    leu   153     -18.427  -7.054   3.998  -0.550  -.10844442E+02
PHI    1476 n    gln   154     -20.390  -8.101   3.741  -0.400  0.12431518E+02
PHI    1477 h    gln   154     -21.270  -8.356   4.141   0.250  0.93625164E+01
PHI    1478 ca   gln   154     -20.110  -8.449   2.354   0.100  0.18093668E+02
PHI    1479 cb   gln   154     -21.336  -9.296   1.811   0.000  0.10923581E+02
PHI    1480 cg   gln   154     -20.907 -10.141   0.609   0.000  0.77803440E+01
PHI    1481 cd   gln   154     -19.882 -11.144   0.869   0.550  -.19110462E+02
PHI    1482 oe1  gln   154     -19.591 -11.760   1.936  -0.550  -.38146141E+02
PHI    1483 ne2  gln   154     -19.081 -11.403  -0.233  -0.600  -.14837800E+02
PHI    1484 he21 gln   154     -19.143 -10.815  -1.040   0.300  -.55309758E+01
PHI    1485 he22 gln   154     -18.439 -12.170  -0.238   0.300  -.46586881E+01
PHI    1486 c    gln   154     -19.732  -7.314   1.434   0.600  0.31782112E+02
PHI    1487 o    gln   154     -18.829  -7.602   0.568  -0.550  -.83655643E+01
PHI    1488 n    lys   155     -20.236  -6.128   1.500  -0.400  0.21259865E+02
PHI    1489 h    lys   155     -20.944  -5.997   2.191   0.250  0.13173142E+02
PHI    1490 ca   lys   155     -19.893  -4.979   0.693   0.100  0.14348540E+02
PHI    1491 cb   lys   155     -20.670  -3.682   1.063   0.000  0.85580635E+01
PHI    1492 cg   lys   155     -22.017  -3.654   0.291   0.000  0.74167032E+01
PHI    1493 cd   lys   155     -23.047  -2.639   0.623   0.000  0.12113695E+02
PHI    1494 ce   lys   155     -22.676  -1.171   0.559   0.250  0.34955540E+02
PHI    1495 nz   lys   155     -23.882  -0.339   0.943  -0.300  0.34888256E+02
PHI    1496 hz1  lys   155     -24.178  -0.584   1.909   0.350  0.31008171E+02
PHI    1497 hz2  lys   155     -24.661  -0.532   0.282   0.350  0.19786575E+02
PHI    1498 hz3  lys   155     -23.634   0.670   0.901   0.350  0.22399656E+02
PHI    1499 c    lys   155     -18.377  -4.669   0.833   0.600  -.16569554E+01
PHI    1500 o    lys   155     -17.620  -4.314  -0.079  -0.550  -.17194593E+02
PHI    1501 n    val   156     -17.925  -4.842   2.107  -0.400  0.30712697E+00
PHI    1502 h    val   156     -18.565  -5.117   2.824   0.250  0.41360612E+01
PHI    1503 ca   val   156     -16.484  -4.620   2.420   0.100  0.25363909E+02
PHI    1504 cb   val   156     -16.319  -4.521   3.941   0.000  0.85534286E+01
PHI    1505 cg1  val   156     -14.868  -4.535   4.352   0.000  0.15903468E+01
PHI    1506 cg2  val   156     -17.033  -3.276   4.484   0.000  0.24246287E+01
PHI    1507 c    val   156     -15.747  -5.771   1.766   0.600  0.19100843E+02
PHI    1508 o    val   156     -14.799  -5.538   1.059  -0.550  -.21710602E+02
PHI    1509 n    val   157     -16.228  -7.019   1.997  -0.400  -.10748491E+02
PHI    1510 h    val   157     -17.034  -7.162   2.571   0.250  -.10267455E+02
PHI    1511 ca   val   157     -15.493  -8.165   1.350   0.100  0.14302188E+02
PHI    1512 cb   val   157     -16.089  -9.530   1.822   0.000  0.35820589E+01
PHI    1513 cg1  val   157     -15.709 -10.707   0.921   0.000  0.20202906E+01
PHI    1514 cg2  val   157     -15.695  -9.822   3.274   0.000  0.94046599E+00
PHI    1515 c    val   157     -15.349  -8.031  -0.129   0.600  0.17173607E+02
PHI    1516 o    val   157     -14.249  -8.301  -0.644  -0.550  -.85539360E+01
PHI    1517 n    asp   158     -16.358  -7.606  -0.863  -0.400  -.83571186E+01
PHI    1518 h    asp   158     -17.189  -7.348  -0.373   0.250  -.68559408E+01
PHI    1519 ca   asp   158     -16.364  -7.481  -2.326   0.100  0.13452400E+02
PHI    1520 cb   asp   158     -17.867  -7.268  -2.739   0.000  -.68625050E+01
PHI    1521 cg   asp   158     -18.678  -8.533  -2.593   0.140  -.58946945E+02
PHI    1522 od1  asp   158     -18.189  -9.710  -2.487  -0.570  -.70077599E+02
PHI    1523 od2  asp   158     -19.901  -8.339  -2.569  -0.570  -.68798912E+02
PHI    1524 c    asp   158     -15.412  -6.429  -2.894   0.600  0.16395596E+02
PHI    1525 o    asp   158     -14.919  -6.687  -4.029  -0.550  -.57289776E+02
PHI    1526 n    val   159     -15.095  -5.331  -2.301  -0.400  -.75451255E+01
PHI    1527 h    val   159     -15.538  -5.179  -1.421   0.250  0.18007268E+01
PHI    1528 ca   val   159     -14.188  -4.305  -2.748   0.100  0.20670376E+02
PHI    1529 cb   val   159     -14.591  -2.938  -2.182   0.000  0.68996310E+01
PHI    1530 cg1  val   159     -14.227  -2.754  -0.711   0.000  0.23789392E+01
PHI    1531 cg2  val   159     -13.903  -1.788  -2.960   0.000  0.29751513E+01
PHI    1532 c    val   159     -12.710  -4.606  -2.445   0.600  0.40722895E+01
PHI    1533 o    val   159     -11.834  -3.949  -3.041  -0.550  -.46553905E+02
PHI    1534 n    leu   160     -12.416  -5.574  -1.630  -0.400  0.19273480E+01
PHI    1535 h    leu   160     -13.161  -6.122  -1.251   0.250  0.12848995E+02
PHI    1536 ca   leu   160     -11.010  -5.882  -1.252   0.100  0.14231982E+02
PHI    1537 cb   leu   160     -11.016  -6.969  -0.195   0.000  0.78147898E+01
PHI    1538 cg   leu   160     -11.640  -6.618   1.175   0.000  -.62200278E-02
PHI    1539 cd1  leu   160     -11.303  -7.665   2.220   0.000  -.38551447E+00
PHI    1540 cd2  leu   160     -11.107  -5.285   1.614   0.000  -.11519032E+01
PHI    1541 c    leu   160     -10.122  -6.160  -2.475   0.600  0.19349924E+02
PHI    1542 o    leu   160      -8.906  -5.850  -2.439  -0.550  -.31134394E+02
PHI    1543 n    asp   161     -10.719  -6.675  -3.514  -0.400  0.14465813E+02
PHI    1544 h    asp   161     -11.701  -6.844  -3.445   0.250  0.16731794E+02
PHI    1545 ca   asp   161     -10.029  -7.018  -4.773   0.100  0.85358459E+00
PHI    1546 cb   asp   161     -11.058  -7.507  -5.792   0.000  -.85466938E+01
PHI    1547 cg   asp   161     -11.409  -8.978  -5.841   0.140  -.43822414E+02
PHI    1548 od1  asp   161     -10.524  -9.812  -5.540  -0.570  -.95961227E+02
PHI    1549 od2  asp   161     -12.641  -9.204  -6.263  -0.570  -.26457363E+02
PHI    1550 c    asp   161      -9.311  -5.791  -5.327   0.600  0.10017788E+02
PHI    1551 o    asp   161      -8.194  -5.959  -5.785  -0.550  -.14328901E+02
PHI    1552 n    ser   162      -9.947  -4.663  -5.311  -0.400  0.10088388E+02
PHI    1553 h    ser   162     -10.855  -4.735  -4.915   0.250  0.52393708E+01
PHI    1554 ca   ser   162      -9.607  -3.360  -5.743   0.100  0.17788393E+02
PHI    1555 cb   ser   162     -10.839  -2.416  -5.513   0.250  0.16862358E+02
PHI    1556 og   ser   162     -11.556  -2.518  -6.733  -0.650  -.21399405E+02
PHI    1557 hg   ser   162     -11.869  -1.647  -6.939   0.400  -.13008368E+02
PHI    1558 c    ser   162      -8.495  -2.592  -5.020   0.600  0.23257065E+02
PHI    1559 o    ser   162      -7.982  -1.628  -5.666  -0.550  -.15695526E+02
PHI    1560 n    ile   163      -8.225  -2.968  -3.794  -0.400  0.21260454E+02
PHI    1561 h    ile   163      -8.756  -3.729  -3.424   0.250  0.20677469E+02
PHI    1562 ca   ile   163      -7.209  -2.355  -2.941   0.100  0.24844837E+02
PHI    1563 cb   ile   163      -7.951  -1.606  -1.767   0.000  0.52062182E+01
PHI    1564 cg2  ile   163      -8.935  -0.520  -2.243   0.000  0.29012704E+01
PHI    1565 cg1  ile   163      -8.667  -2.639  -0.873   0.000  0.12749960E+01
PHI    1566 cd1  ile   163      -8.778  -2.016   0.626   0.000  -.74792239E-02
PHI    1567 c    ile   163      -6.291  -3.435  -2.367   0.600  0.34836752E+01
PHI    1568 o    ile   163      -5.961  -3.514  -1.214  -0.550  -.58864059E+02
PHI    1569 n    lys   164      -5.893  -4.362  -3.184  -0.400  0.13230844E+02
PHI    1570 h    lys   164      -6.207  -4.278  -4.127   0.250  0.14764886E+02
PHI    1571 ca   lys   164      -5.037  -5.510  -2.865   0.100  0.33541954E+02
PHI    1572 cb   lys   164      -4.828  -6.338  -4.166   0.000  0.87999754E+01
PHI    1573 cg   lys   164      -4.287  -7.754  -3.789   0.000  0.82481861E+01
PHI    1574 cd   lys   164      -3.953  -8.550  -5.048   0.000  0.94051695E+01
PHI    1575 ce   lys   164      -2.856  -9.633  -4.696   0.250  0.28422298E+02
PHI    1576 nz   lys   164      -3.627 -10.748  -3.963  -0.300  0.35440895E+02
PHI    1577 hz1  lys   164      -4.463 -11.015  -4.520   0.350  0.32197845E+02
PHI    1578 hz2  lys   164      -3.928 -10.405  -3.029   0.350  0.17747667E+02
PHI    1579 hz3  lys   164      -3.010 -11.577  -3.845   0.350  0.35496311E+02
PHI    1580 c    lys   164      -3.708  -5.172  -2.268   0.600  0.89590549E+01
PHI    1581 o    lys   164      -3.285  -5.757  -1.277  -0.550  -.42444366E+02
PHI    1582 n    thr   165      -3.019  -4.207  -2.792  -0.400  -.25749374E+02
PHI    1583 h    thr   165      -3.457  -3.718  -3.543   0.250  -.72791057E+01
PHI    1584 ca   thr   165      -1.665  -3.758  -2.399   0.100  0.19769339E+02
PHI    1585 cb   thr   165      -0.775  -3.908  -3.701   0.250  0.96279440E+01
PHI    1586 og1  thr   165      -1.287  -2.973  -4.732  -0.650  -.21897993E+02
PHI    1587 hg1  thr   165      -0.738  -3.084  -5.497   0.400  -.28490572E+01
PHI    1588 cg2  thr   165      -0.745  -5.282  -4.373   0.000  0.50139433E+00
PHI    1589 c    thr   165      -1.646  -2.414  -1.748   0.600  0.43400909E+02
PHI    1590 o    thr   165      -2.513  -1.533  -1.878  -0.550  -.88433914E+01
PHI    1591 n    lys   166      -0.631  -2.152  -0.980  -0.400  0.22081417E+02
PHI    1592 h    lys   166       0.056  -2.872  -0.920   0.250  0.64985356E+01
PHI    1593 ca   lys   166      -0.373  -0.928  -0.192   0.100  0.16333149E+02
PHI    1594 cb   lys   166       0.917  -1.018   0.576   0.000  0.95435696E+01
PHI    1595 cg   lys   166       1.230   0.148   1.534   0.000  0.74813285E+01
PHI    1596 cd   lys   166       2.725  -0.064   1.954   0.000  0.12605781E+02
PHI    1597 ce   lys   166       3.200   1.052   2.827   0.250  0.23109779E+02
PHI    1598 nz   lys   166       3.100   0.703   4.312  -0.300  0.37693653E+02
PHI    1599 hz1  lys   166       3.384  -0.287   4.455   0.350  0.21395773E+02
PHI    1600 hz2  lys   166       2.119   0.832   4.633   0.350  0.33488918E+02
PHI    1601 hz3  lys   166       3.729   1.326   4.858   0.350  0.20127256E+02
PHI    1602 c    lys   166      -0.410   0.305  -1.049   0.600  0.19466978E+02
PHI    1603 o    lys   166       0.131   0.363  -2.124  -0.550  -.18342102E+02
PHI    1604 n    gly   167      -1.169   1.302  -0.543  -0.400  0.18387024E+02
PHI    1605 h    gly   167      -1.612   1.149   0.340   0.250  0.17774141E+02
PHI    1606 ca   gly   167      -1.367   2.568  -1.216   0.100  0.15237734E+02
PHI    1607 c    gly   167      -2.591   2.603  -2.123   0.600  -.41269612E+01
PHI    1608 o    gly   167      -2.917   3.742  -2.581  -0.550  -.63048325E+02
PHI    1609 n    lys   168      -3.280   1.538  -2.395  -0.400  0.10798285E+02
PHI    1610 h    lys   168      -2.995   0.667  -1.996   0.250  0.13562492E+02
PHI    1611 ca   lys   168      -4.469   1.588  -3.277   0.100  0.20460318E+02
PHI    1612 cb   lys   168      -4.869   0.343  -3.968   0.000  0.65966115E+01
PHI    1613 cg   lys   168      -4.004  -0.577  -4.767   0.000  0.43106709E+01
PHI    1614 cd   lys   168      -3.322   0.112  -5.898   0.000  0.11516961E+02
PHI    1615 ce   lys   168      -3.080  -0.937  -7.067   0.250  0.48348522E+02
PHI    1616 nz   lys   168      -3.287  -0.046  -8.345  -0.300  0.35009892E+02
PHI    1617 hz1  lys   168      -3.010   0.934  -8.133   0.350  0.28873955E+02
PHI    1618 hz2  lys   168      -4.288  -0.071  -8.626   0.350  0.22791624E+02
PHI    1619 hz3  lys   168      -2.700  -0.412  -9.121   0.350  0.20767593E+02
PHI    1620 c    lys   168      -5.678   2.008  -2.416   0.600  0.32333481E+02
PHI    1621 o    lys   168      -5.766   1.606  -1.275  -0.550  -.35323898E+02
PHI    1622 n    ser   169      -6.586   2.715  -3.029  -0.400  0.20084770E+02
PHI    1623 h    ser   169      -6.418   2.924  -3.991   0.250  0.97047873E+01
PHI    1624 ca   ser   169      -7.826   3.224  -2.422   0.100  0.17755369E+02
PHI    1625 cb   ser   169      -7.615   4.646  -1.904   0.250  0.18057147E+01
PHI    1626 og   ser   169      -7.574   5.663  -2.909  -0.650  -.33675240E+02
PHI    1627 hg   ser   169      -7.847   5.255  -3.720   0.400  -.41266894E+01
PHI    1628 c    ser   169      -8.930   3.136  -3.461   0.600  0.22643784E+02
PHI    1629 o    ser   169      -8.718   3.119  -4.709  -0.550  -.56409435E+01
PHI    1630 n    ala   170     -10.145   3.044  -3.033  -0.400  0.38366065E+01
PHI    1631 h    ala   170     -10.247   3.039  -2.041   0.250  0.97412932E+00
PHI    1632 ca   ala   170     -11.374   2.947  -3.808   0.100  0.13001048E+02
PHI    1633 cb   ala   170     -11.818   1.485  -3.917   0.000  0.53522725E+01
PHI    1634 c    ala   170     -12.498   3.720  -3.069   0.600  0.27773941E+02
PHI    1635 o    ala   170     -12.539   3.752  -1.823  -0.550  -.78197746E+01
PHI    1636 n    asp   171     -13.316   4.304  -3.862  -0.400  -.18697853E+01
PHI    1637 h    asp   171     -13.135   4.240  -4.843   0.250  -.18447758E+01
PHI    1638 ca   asp   171     -14.514   5.068  -3.402   0.100  0.18208809E+02
PHI    1639 cb   asp   171     -15.241   5.728  -4.516   0.000  -.15126882E+01
PHI    1640 cg   asp   171     -14.734   6.961  -5.166   0.140  -.30660942E+02
PHI    1641 od1  asp   171     -13.654   7.529  -5.094  -0.570  -.41294567E+02
PHI    1642 od2  asp   171     -15.656   7.533  -5.949  -0.570  -.41709595E+02
PHI    1643 c    asp   171     -15.290   3.981  -2.648   0.600  0.29788879E+02
PHI    1644 o    asp   171     -15.321   2.823  -3.078  -0.550  -.50055611E+00
PHI    1645 n    phe   172     -15.840   4.428  -1.534  -0.400  0.83885736E+01
PHI    1646 h    phe   172     -15.753   5.388  -1.267   0.250  0.49367247E+01
PHI    1647 ca   phe   172     -16.600   3.425  -0.691   0.100  0.13625113E+02
PHI    1648 cb   phe   172     -15.600   2.636   0.171   0.000  0.69598160E+01
PHI    1649 cg   phe   172     -16.241   1.391   0.764   0.000  0.23750887E+01
PHI    1650 cd1  phe   172     -16.589   0.354  -0.075   0.000  0.72587734E+00
PHI    1651 cd2  phe   172     -16.540   1.321   2.090   0.000  0.40701509E+00
PHI    1652 ce1  phe   172     -17.222  -0.804   0.444   0.000  0.26735076E+00
PHI    1653 ce2  phe   172     -17.154   0.167   2.636   0.000  0.54677248E+00
PHI    1654 cz   phe   172     -17.516  -0.904   1.791   0.000  0.74331337E+00
PHI    1655 c    phe   172     -17.683   4.199   0.016   0.600  0.26067627E+02
PHI    1656 o    phe   172     -17.632   4.426   1.199  -0.550  -.54541689E+00
PHI    1657 n    thr   173     -18.662   4.680  -0.751  -0.400  0.83990669E+01
PHI    1658 h    thr   173     -18.613   4.482  -1.729   0.250  0.19402459E+01
PHI    1659 ca   thr   173     -19.784   5.466  -0.264   0.100  0.22060127E+02
PHI    1660 cb   thr   173     -20.284   6.576  -1.274   0.250  0.30753645E+02
PHI    1661 og1  thr   173     -20.511   5.913  -2.557  -0.650  -.10924485E+02
PHI    1662 hg1  thr   173     -21.444   5.760  -2.623   0.400  -.84233303E+01
PHI    1663 cg2  thr   173     -19.341   7.766  -1.434   0.000  0.71792278E+01
PHI    1664 c    thr   173     -20.969   4.587   0.172   0.600  0.50146954E+02
PHI    1665 o    thr   173     -21.193   3.456  -0.239  -0.550  -.15375450E+02
PHI    1666 n    asn   174     -21.824   5.262   0.996  -0.400  0.18269909E+02
PHI    1667 h    asn   174     -21.595   6.210   1.214   0.250  0.11368509E+02
PHI    1668 ca   asn   174     -23.017   4.702   1.562   0.100  0.12213114E+02
PHI    1669 cb   asn   174     -24.121   4.517   0.402   0.000  0.16400181E+02
PHI    1670 cg   asn   174     -24.313   5.906  -0.293   0.550  -.70755386E+01
PHI    1671 od1  asn   174     -23.729   6.054  -1.424  -0.550  -.31896059E+02
PHI    1672 nd2  asn   174     -24.938   6.783   0.311  -0.600  -.12899782E+02
PHI    1673 hd21 asn   174     -24.946   7.718  -0.042   0.300  -.29671562E+00
PHI    1674 hd22 asn   174     -25.439   6.576   1.151   0.300  0.99202746E+00
PHI    1675 c    asn   174     -22.894   3.389   2.277   0.600  0.23867296E+02
PHI    1676 o    asn   174     -23.765   2.541   2.118  -0.550  -.21834080E+02
PHI    1677 n    phe   175     -21.838   3.155   3.039  -0.400  0.11194702E+02
PHI    1678 h    phe   175     -21.127   3.856   3.089   0.250  0.72088871E+01
PHI    1679 ca   phe   175     -21.678   1.911   3.807   0.100  0.19336193E+02
PHI    1680 cb   phe   175     -20.228   1.425   3.894   0.000  0.52920647E+01
PHI    1681 cg   phe   175     -20.180   0.175   4.730   0.000  0.52616243E+01
PHI    1682 cd1  phe   175     -20.568  -1.050   4.192   0.000  0.26386905E+01
PHI    1683 cd2  phe   175     -19.753   0.322   6.082   0.000  0.18500023E+01
PHI    1684 ce1  phe   175     -20.525  -2.195   4.999   0.000  0.12509428E+01
PHI    1685 ce2  phe   175     -19.727  -0.880   6.884   0.000  0.41913092E+00
PHI    1686 cz   phe   175     -20.067  -2.086   6.325   0.000  0.59722520E-01
PHI    1687 c    phe   175     -22.197   2.248   5.217   0.600  0.39004032E+02
PHI    1688 o    phe   175     -21.717   3.214   5.739  -0.550  -.11352769E+02
PHI    1689 n    asp   176     -23.123   1.421   5.696  -0.400  0.14971680E+02
PHI    1690 h    asp   176     -23.420   0.632   5.158   0.250  0.12867272E+02
PHI    1691 ca   asp   176     -23.704   1.703   7.056   0.100  0.11444392E+02
PHI    1692 cb   asp   176     -25.195   1.595   6.816   0.000  -.54933834E+01
PHI    1693 cg   asp   176     -25.967   1.781   8.107   0.140  -.45531128E+02
PHI    1694 od1  asp   176     -27.203   1.734   8.109  -0.570  -.45285187E+02
PHI    1695 od2  asp   176     -25.360   2.026   9.149  -0.570  -.10953158E+03
PHI    1696 c    asp   176     -23.065   0.805   8.141   0.600  0.29055777E+02
PHI    1697 o    asp   176     -23.219  -0.481   8.102  -0.550  -.57856688E+01
PHI    1698 n    pro   177     -22.319   1.384   9.025  -0.250  0.84886045E+01
PHI    1699 cd   pro   177     -22.071   2.786   9.162   0.100  0.11480348E+01
PHI    1700 ca   pro   177     -21.569   0.613  10.102   0.100  0.29121046E+02
PHI    1701 cb   pro   177     -20.648   1.642  10.747   0.000  0.92746592E+01
PHI    1702 cg   pro   177     -21.073   2.953  10.293   0.000  0.38221593E+01
PHI    1703 c    pro   177     -22.428  -0.125  11.089   0.600  0.36205662E+02
PHI    1704 o    pro   177     -21.991  -1.034  11.840  -0.550  -.16517076E+02
PHI    1705 n    arg   178     -23.740   0.235  11.050  -0.400  0.11227435E+02
PHI    1706 h    arg   178     -24.032   0.950  10.415   0.250  0.38063519E+01
PHI    1707 ca   arg   178     -24.700  -0.408  11.916   0.100  0.12935990E+02
PHI    1708 cb   arg   178     -26.096   0.275  11.763   0.000  0.57795682E+01
PHI    1709 cg   arg   178     -25.989   1.743  12.436   0.000  0.44193182E+01
PHI    1710 cd   arg   178     -27.375   2.354  12.393   0.100  0.83866243E+01
PHI    1711 ne   arg   178     -27.715   2.693  11.049  -0.400  0.13620579E+02
PHI    1712 he   arg   178     -27.029   2.528  10.343   0.300  -.31380811E+00
PHI    1713 cz   arg   178     -28.865   3.211  10.645   0.500  0.26510000E+02
PHI    1714 nh1  arg   178     -29.820   3.498  11.442  -0.450  0.17184124E+02
PHI    1715 hh11 arg   178     -29.719   3.333  12.423   0.350  0.14443656E+02
PHI    1716 hh12 arg   178     -30.669   3.888  11.085   0.350  0.77289629E+01
PHI    1717 nh2  arg   178     -28.962   3.430   9.319  -0.450  0.62406540E+00
PHI    1718 hh21 arg   178     -28.264   3.069   8.700   0.350  -.56506748E+01
PHI    1719 hh22 arg   178     -29.732   3.953   8.954   0.350  0.64070725E+01
PHI    1720 c    arg   178     -24.784  -1.917  11.667   0.600  0.59347868E+00
PHI    1721 o    arg   178     -25.177  -2.710  12.546  -0.550  -.18772205E+02
PHI    1722 n    gly   179     -24.496  -2.308  10.413  -0.400  0.76129985E+00
PHI    1723 h    gly   179     -24.218  -1.635   9.728   0.250  0.50992808E+01
PHI    1724 ca   gly   179     -24.600  -3.737  10.082   0.100  0.24654942E+02
PHI    1725 c    gly   179     -23.455  -4.521  10.753   0.600  0.16954964E+02
PHI    1726 o    gly   179     -23.521  -5.723  10.589  -0.550  -.15311937E+02
PHI    1727 n    leu   180     -22.543  -3.903  11.453  -0.400  -.59135084E+01
PHI    1728 h    leu   180     -22.622  -2.913  11.563   0.250  0.57712193E+01
PHI    1729 ca   leu   180     -21.405  -4.616  12.084   0.100  0.72282386E+01
PHI    1730 cb   leu   180     -20.091  -3.875  11.780   0.000  0.67061148E+01
PHI    1731 cg   leu   180     -19.803  -3.770  10.268   0.000  0.22573953E+01
PHI    1732 cd1  leu   180     -18.532  -2.947  10.049   0.000  0.10478393E+01
PHI    1733 cd2  leu   180     -19.683  -5.095   9.642   0.000  0.16627229E+01
PHI    1734 c    leu   180     -21.593  -4.743  13.595   0.600  0.19549382E+01
PHI    1735 o    leu   180     -20.721  -5.366  14.223  -0.550  -.26026018E+02
PHI    1736 n    leu   181     -22.608  -4.133  14.144  -0.400  0.10544534E+01
PHI    1737 h    leu   181     -23.229  -3.598  13.571   0.250  0.56141138E+01
PHI    1738 ca   leu   181     -22.837  -4.239  15.639   0.100  0.35402377E+01
PHI    1739 cb   leu   181     -23.495  -2.933  16.166   0.000  0.26023724E+01
PHI    1740 cg   leu   181     -22.864  -1.634  15.725   0.000  0.47006920E+00
PHI    1741 cd1  leu   181     -23.592  -0.390  16.227   0.000  0.34264833E+00
PHI    1742 cd2  leu   181     -21.442  -1.486  16.294   0.000  0.82701504E-01
PHI    1743 c    leu   181     -23.617  -5.494  16.022   0.600  0.23782986E+02
PHI    1744 o    leu   181     -24.525  -6.054  15.417  -0.550  -.45736012E+01
PHI    1745 n    pro   182     -23.155  -6.053  17.187  -0.250  0.16083111E+02
PHI    1746 cd   pro   182     -22.086  -5.558  18.038   0.100  0.91714888E+01
PHI    1747 ca   pro   182     -23.781  -7.242  17.741   0.100  0.24978596E+02
PHI    1748 cb   pro   182     -22.798  -7.725  18.804   0.000  0.37999485E+01
PHI    1749 cg   pro   182     -22.299  -6.418  19.327   0.000  0.76845205E+00
PHI    1750 c    pro   182     -25.111  -6.693  18.306   0.600  0.34526047E+02
PHI    1751 o    pro   182     -25.323  -5.473  18.310  -0.550  -.73414192E+02
PHI    1752 n    glu   183     -25.933  -7.609  18.775  -0.400  0.21818422E+02
PHI    1753 h    glu   183     -25.655  -8.565  18.695   0.250  0.71506395E+01
PHI    1754 ca   glu   183     -27.212  -7.303  19.397   0.100  0.26994707E+02
PHI    1755 cb   glu   183     -27.940  -8.635  19.656   0.000  -.48587394E+00
PHI    1756 cg   glu   183     -29.266  -8.649  20.272   0.000  -.11900262E+02
PHI    1757 cd   glu   183     -29.932  -9.880  20.804   0.140  -.59159428E+02
PHI    1758 oe1  glu   183     -30.451  -9.901  22.008  -0.570  -.48278477E+02
PHI    1759 oe2  glu   183     -30.022 -10.824  19.994  -0.570  -.63841782E+02
PHI    1760 c    glu   183     -27.092  -6.536  20.691   0.600  0.20234232E+02
PHI    1761 o    glu   183     -27.755  -5.445  20.962  -0.550  -.37222713E+02
PHI    1762 n    ser   184     -26.176  -7.052  21.545  -0.400  0.59853506E+01
PHI    1763 h    ser   184     -25.659  -7.867  21.283   0.250  -.96188049E+01
PHI    1764 ca   ser   184     -25.950  -6.397  22.868   0.100  0.21398306E+02
PHI    1765 cb   ser   184     -25.700  -7.521  23.847   0.250  -.92023125E+01
PHI    1766 og   ser   184     -25.332  -7.109  25.080  -0.650  -.27056679E+02
PHI    1767 hg   ser   184     -26.059  -7.298  25.659   0.400  -.16014099E+02
PHI    1768 c    ser   184     -24.753  -5.437  22.826   0.600  0.38069359E+02
PHI    1769 o    ser   184     -23.770  -5.649  22.126  -0.550  -.12270020E+02
PHI    1770 n    leu   185     -24.843  -4.392  23.614  -0.400  0.15713676E+02
PHI    1771 h    leu   185     -25.688  -4.329  24.138   0.250  0.14626454E+02
PHI    1772 ca   leu   185     -23.911  -3.360  23.813   0.100  0.13396863E+02
PHI    1773 cb   leu   185     -24.461  -1.958  23.508   0.000  0.52732768E+01
PHI    1774 cg   leu   185     -24.939  -1.712  22.074   0.000  0.33906889E+00
PHI    1775 cd1  leu   185     -25.189  -0.219  21.893   0.000  -.19250092E+00
PHI    1776 cd2  leu   185     -23.931  -2.172  21.036   0.000  -.79776770E+00
PHI    1777 c    leu   185     -23.186  -3.448  25.198   0.600  -.67939482E+01
PHI    1778 o    leu   185     -22.489  -2.501  25.552  -0.550  -.84001328E+02
PHI    1779 n    asp   186     -23.240  -4.568  25.837  -0.400  -.36040550E+00
PHI    1780 h    asp   186     -23.781  -5.301  25.426   0.250  0.93055725E+01
PHI    1781 ca   asp   186     -22.554  -4.839  27.138   0.100  0.11619148E+02
PHI    1782 cb   asp   186     -22.964  -6.172  27.674   0.000  -.64798336E+01
PHI    1783 cg   asp   186     -24.329  -6.254  28.347   0.140  -.54019817E+02
PHI    1784 od1  asp   186     -24.833  -7.280  28.696  -0.570  -.58781548E+02
PHI    1785 od2  asp   186     -24.849  -5.181  28.663  -0.570  -.64946899E+02
PHI    1786 c    asp   186     -21.049  -4.784  26.749   0.600  0.84880676E+01
PHI    1787 o    asp   186     -20.641  -5.296  25.735  -0.550  -.56301094E+02
PHI    1788 n    tyr   187     -20.273  -4.150  27.674  -0.400  0.11239754E+02
PHI    1789 h    tyr   187     -20.669  -3.823  28.532   0.250  0.14733664E+02
PHI    1790 ca   tyr   187     -18.861  -3.971  27.365   0.100  0.13121709E+02
PHI    1791 cb   tyr   187     -18.725  -2.514  26.699   0.000  0.23814454E+01
PHI    1792 cg   tyr   187     -19.170  -1.351  27.540   0.000  0.29535334E+01
PHI    1793 cd1  tyr   187     -18.216  -0.722  28.403   0.000  0.56507607E+01
PHI    1794 ce1  tyr   187     -18.602   0.350  29.189   0.000  0.95544968E+01
PHI    1795 cd2  tyr   187     -20.420  -0.840  27.513   0.000  0.20742118E+01
PHI    1796 ce2  tyr   187     -20.855   0.249  28.305   0.000  0.10487288E+02
PHI    1797 cz   tyr   187     -19.894   0.835  29.138   0.250  0.12453069E+02
PHI    1798 oh   tyr   187     -20.268   1.867  29.935  -0.650  -.17218996E+02
PHI    1799 hh   tyr   187     -21.209   1.974  29.892   0.400  -.70243993E+01
PHI    1800 c    tyr   187     -17.935  -3.962  28.570   0.600  0.70077164E+02
PHI    1801 o    tyr   187     -18.409  -3.903  29.685  -0.550  -.50625725E+01
PHI    1802 n    trp   188     -16.630  -3.955  28.183  -0.400  0.84725881E+00
PHI    1803 h    trp   188     -16.396  -3.997  27.212   0.250  0.13434339E+02
PHI    1804 ca   trp   188     -15.598  -3.886  29.199   0.100  0.93972368E+01
PHI    1805 cb   trp   188     -14.621  -5.042  29.225   0.000  0.73108640E+01
PHI    1806 cg   trp   188     -15.115  -6.353  29.679  -0.030  -.10575894E+00
PHI    1807 cd2  trp   188     -15.406  -7.506  28.859   0.100  0.16321234E+01
PHI    1808 ce2  trp   188     -15.749  -8.560  29.688  -0.040  -.14575331E+02
PHI    1809 ce3  trp   188     -15.223  -7.722  27.466  -0.030  -.25888052E+01
PHI    1810 cd1  trp   188     -15.343  -6.775  30.975   0.060  -.24536126E+01
PHI    1811 ne1  trp   188     -15.695  -8.125  30.951  -0.360  -.74974713E+01
PHI    1812 he1  trp   188     -15.876  -8.673  31.742   0.300  0.78416724E+01
PHI    1813 cz2  trp   188     -16.091  -9.841  29.189   0.000  -.22594175E+01
PHI    1814 cz3  trp   188     -15.576  -8.954  26.952   0.000  -.27965817E+01
PHI    1815 ch2  trp   188     -16.007  -9.927  27.771   0.000  -.11582435E+01
PHI    1816 c    trp   188     -14.883  -2.566  28.776   0.600  0.71949951E+02
PHI    1817 o    trp   188     -14.844  -2.275  27.572  -0.550  -.30650501E+02
PHI    1818 n    thr   189     -14.337  -1.886  29.746  -0.400  0.20597858E+02
PHI    1819 h    thr   189     -14.444  -2.187  30.694   0.250  0.21433277E+01
PHI    1820 ca   thr   189     -13.554  -0.656  29.404   0.100  0.23068228E+02
PHI    1821 cb   thr   189     -14.502   0.600  29.393   0.250  0.23619783E+02
PHI    1822 og1  thr   189     -13.653   1.693  29.037  -0.650  -.24627388E+02
PHI    1823 hg1  thr   189     -12.969   1.338  28.484   0.400  -.51715546E+01
PHI    1824 cg2  thr   189     -15.145   0.831  30.793   0.000  0.13563102E+02
PHI    1825 c    thr   189     -12.341  -0.457  30.267   0.600  0.35504162E+02
PHI    1826 o    thr   189     -12.321  -0.863  31.478  -0.550  -.43528587E+02
PHI    1827 n    tyr   190     -11.277   0.092  29.617  -0.400  0.21834055E+02
PHI    1828 h    tyr   190     -11.323   0.249  28.628   0.250  0.19125130E+02
PHI    1829 ca   tyr   190      -9.988   0.318  30.276   0.100  0.21776031E+02
PHI    1830 cb   tyr   190      -9.287  -1.045  30.530   0.000  0.74789743E+01
PHI    1831 cg   tyr   190      -8.506  -1.505  29.318   0.000  0.55200672E+01
PHI    1832 cd1  tyr   190      -7.110  -1.309  29.322   0.000  0.53968697E+01
PHI    1833 ce1  tyr   190      -6.388  -1.556  28.146   0.000  0.61176243E+01
PHI    1834 cd2  tyr   190      -9.184  -2.049  28.208   0.000  0.38850636E+01
PHI    1835 ce2  tyr   190      -8.459  -2.302  27.033   0.000  0.12082438E+02
PHI    1836 cz   tyr   190      -7.078  -2.019  27.011   0.250  0.14664188E+02
PHI    1837 oh   tyr   190      -6.363  -2.189  25.843  -0.650  -.36848553E+02
PHI    1838 hh   tyr   190      -6.927  -2.630  25.204   0.400  -.85688534E+01
PHI    1839 c    tyr   190      -9.078   1.289  29.495   0.600  0.11727849E+02
PHI    1840 o    tyr   190      -8.950   1.203  28.278  -0.550  -.93527718E+01
PHI    1841 n    pro   191      -8.331   2.136  30.246  -0.250  0.27218256E+01
PHI    1842 cd   pro   191      -8.054   2.043  31.672   0.100  0.14267455E+02
PHI    1843 ca   pro   191      -7.524   3.141  29.603   0.100  0.16836813E+02
PHI    1844 cb   pro   191      -7.083   4.061  30.704   0.000  0.88423042E+01
PHI    1845 cg   pro   191      -7.137   3.201  32.000   0.000  0.66095452E+01
PHI    1846 c    pro   191      -6.302   2.455  28.930   0.600  0.24087553E+02
PHI    1847 o    pro   191      -5.622   1.618  29.512  -0.550  0.30257375E+01
PHI    1848 n    gly   192      -6.108   2.795  27.659  -0.400  0.95582647E+01
PHI    1849 h    gly   192      -6.753   3.402  27.205   0.250  0.12801590E+02
PHI    1850 ca   gly   192      -5.047   2.129  26.905   0.100  0.13932895E+02
PHI    1851 c    gly   192      -4.464   3.038  25.843   0.600  0.35560429E+02
PHI    1852 o    gly   192      -4.586   4.263  25.949  -0.550  0.88345079E+01
PHI    1853 n    ser   193      -3.902   2.397  24.803  -0.400  0.70819039E+01
PHI    1854 h    ser   193      -3.857   1.395  24.766   0.250  -.70021611E+00
PHI    1855 ca   ser   193      -3.236   3.131  23.727   0.100  0.20037031E+02
PHI    1856 cb   ser   193      -1.749   2.759  23.759   0.250  0.43527942E+01
PHI    1857 og   ser   193      -1.584   1.330  23.649  -0.650  -.65231271E+01
PHI    1858 hg   ser   193      -1.565   1.143  22.703   0.400  0.17190973E+02
PHI    1859 c    ser   193      -3.808   2.799  22.356   0.600  0.10423424E+02
PHI    1860 o    ser   193      -4.656   1.929  22.233  -0.550  -.24043190E+02
PHI    1861 n    leu   194      -3.210   3.440  21.332  -0.400  -.30223721E+03
PHI    1862 h    leu   194      -2.600   4.210  21.523   0.250  0.17571294E+03
PHI    1863 ca   leu   194      -3.273   2.814  20.000   0.100  0.11247339E+03
PHI    1864 cb   leu   194      -2.516   3.654  18.969   0.000  0.11033328E+02
PHI    1865 cg   leu   194      -2.970   5.107  18.841   0.000  0.57251878E+01
PHI    1866 cd1  leu   194      -2.032   5.915  17.943   0.000  0.39675455E+01
PHI    1867 cd2  leu   194      -4.414   5.204  18.366   0.000  0.52829943E+01
PHI    1868 c    leu   194      -2.595   1.458  20.058   0.600  0.69178064E+03
PHI    1869 o    leu   194      -1.594   1.338  20.770  -0.550  -.54979700E+03
PHI    1870 n    thr   195      -3.147   0.467  19.347  -0.400  -.48898288E+03
PHI    1871 h    thr   195      -3.992   0.553  18.813   0.250  0.22531305E+03
PHI    1872 ca   thr   195      -2.485  -0.827  19.488   0.100  0.10115333E+03
PHI    1873 cb   thr   195      -3.348  -1.971  18.959   0.250  0.28955420E+03
PHI    1874 og1  thr   195      -3.498  -1.928  17.528  -0.650  -.65171490E+03
PHI    1875 hg1  thr   195      -3.866  -2.805  17.318   0.400  -.17329179E+00
PHI    1876 cg2  thr   195      -4.693  -2.013  19.691   0.000  0.11603094E+02
PHI    1877 c    thr   195      -1.081  -0.895  18.915   0.600  0.10027869E+04
PHI    1878 o    thr   195      -0.153  -1.366  19.571  -0.550  -.82452686E+03
PHI    1879 n    thr   196      -0.984  -0.371  17.683  -0.400  -.28434299E+03
PHI    1880 h    thr   196      -1.824   0.068  17.361   0.250  0.25144283E+03
PHI    1881 ca   thr   196       0.273  -0.349  16.931   0.100  0.12228756E+03
PHI    1882 cb   thr   196      -0.115  -0.386  15.448   0.250  0.22850011E+03
PHI    1883 og1  thr   196      -0.851   0.802  15.095  -0.650  -.79475842E+03
PHI    1884 hg1  thr   196      -1.781   0.618  15.276   0.400  0.33629782E+03
PHI    1885 cg2  thr   196      -0.903  -1.643  15.079   0.000  0.88689651E+01
PHI    1886 c    thr   196       1.075   0.913  17.271   0.600  0.22389809E+02
PHI    1887 o    thr   196       0.575   1.731  18.034  -0.550  -.58471051E+03
PHI    1888 n    pro   197       2.284   1.113  16.685  -0.250  0.21247812E+02
PHI    1889 cd   pro   197       3.130   0.131  16.026   0.100  0.75125103E+01
PHI    1890 ca   pro   197       2.887   2.460  16.674   0.100  0.23722208E+02
PHI    1891 cb   pro   197       4.289   2.196  16.128   0.000  0.74480572E+01
PHI    1892 cg   pro   197       4.528   0.695  16.196   0.000  0.49884086E+01
PHI    1893 c    pro   197       2.134   3.376  15.717   0.600  0.22948469E+02
PHI    1894 o    pro   197       1.721   2.881  14.669  -0.550  -.84708138E+01
PHI    1895 n    pro   198       2.004   4.682  16.000  -0.250  0.13978372E+02
PHI    1896 cd   pro   198       1.271   5.612  15.154   0.100  0.55863585E+01
PHI    1897 ca   pro   198       2.720   5.359  17.076   0.100  0.21039862E+02
PHI    1898 cb   pro   198       2.938   6.736  16.448   0.000  0.62111077E+01
PHI    1899 cg   pro   198       1.640   6.996  15.681   0.000  0.59012046E+01
PHI    1900 c    pro   198       1.956   5.430  18.384   0.600  0.31956589E+02
PHI    1901 o    pro   198       1.931   6.480  19.021  -0.550  -.22765245E+02
PHI    1902 n    leu   199       1.343   4.296  18.767  -0.400  0.25109699E+02
PHI    1903 h    leu   199       1.159   3.610  18.064   0.250  0.21894884E+02
PHI    1904 ca   leu   199       1.235   3.857  20.160   0.100  0.11234360E+02
PHI    1905 cb   leu   199       2.558   3.239  20.612   0.000  0.56977634E+01
PHI    1906 cg   leu   199       2.912   1.856  20.083   0.000  0.12711331E+01
PHI    1907 cd1  leu   199       4.386   1.517  20.274   0.000  0.26893196E+01
PHI    1908 cd2  leu   199       2.007   0.792  20.681   0.000  0.52263279E-01
PHI    1909 c    leu   199       0.765   4.803  21.246   0.600  0.57044482E+03
PHI    1910 o    leu   199       0.941   4.489  22.424  -0.550  -.10484911E+02
PHI    1911 n    leu   200       0.201   5.949  20.832  -0.400  -.26042487E+03
PHI    1912 h    leu   200       0.085   6.110  19.854   0.250  0.35791705E+03
PHI    1913 ca   leu   200      -0.040   6.977  21.830   0.100  0.13453478E+02
PHI    1914 cb   leu   200      -0.439   8.294  21.165   0.000  0.31756995E+01
PHI    1915 cg   leu   200       0.751   8.974  20.484   0.000  -.29873964E+00
PHI    1916 cd1  leu   200       0.329  10.162  19.624   0.000  0.98085441E-01
PHI    1917 cd2  leu   200       1.844   9.349  21.487   0.000  0.30060119E-02
PHI    1918 c    leu   200      -1.076   6.507  22.804   0.600  0.51999832E+02
PHI    1919 o    leu   200      -2.151   6.038  22.435  -0.550  0.19452368E+02
PHI    1920 n    glu   201      -0.705   6.628  24.060  -0.400  0.56749301E+01
PHI    1921 h    glu   201       0.104   7.182  24.253   0.250  0.44139948E+01
PHI    1922 ca   glu   201      -1.568   6.248  25.176   0.100  0.17084116E+02
PHI    1923 cb   glu   201      -0.663   6.174  26.476   0.000  0.55179853E+01
PHI    1924 cg   glu   201       0.330   5.014  26.292   0.000  -.73401566E+01
PHI    1925 cd   glu   201       1.277   4.762  27.456   0.140  -.46735367E+02
PHI    1926 oe1  glu   201       1.614   5.729  28.229  -0.570  -.45843513E+02
PHI    1927 oe2  glu   201       1.739   3.572  27.654  -0.570  -.74629906E+02
PHI    1928 c    glu   201      -2.659   7.290  25.367   0.600  0.12733453E+02
PHI    1929 o    glu   201      -2.695   8.001  26.377  -0.550  -.21882473E+02
PHI    1930 n    cys   202      -3.538   7.354  24.393  -0.400  0.10223030E+02
PHI    1931 h    cys   202      -3.462   6.712  23.630   0.250  0.11608846E+02
PHI    1932 ca   cys   202      -4.615   8.343  24.411   0.100  0.23417286E+02
PHI    1933 cb   cys   202      -4.385   9.349  23.271   0.190  0.18952143E+02
PHI    1934 sg   cys   202      -2.665   9.942  23.181  -0.190  -.16917913E+02
PHI    1935 c    cys   202      -5.985   7.715  24.198   0.600  0.57144451E+02
PHI    1936 o    cys   202      -6.953   8.408  23.844  -0.550  0.13241539E+01
PHI    1937 n    val   203      -6.016   6.390  24.336  -0.400  -.10926088E+01
PHI    1938 h    val   203      -5.287   5.847  24.755   0.250  0.63517542E+01
PHI    1939 ca   val   203      -7.241   5.746  23.894   0.100  0.27082209E+02
PHI    1940 cb   val   203      -6.895   4.629  22.901   0.000  0.14576005E+02
PHI    1941 cg1  val   203      -8.092   3.774  22.490   0.000  0.79074225E+01
PHI    1942 cg2  val   203      -6.225   5.234  21.671   0.000  0.82777929E+01
PHI    1943 c    val   203      -8.012   5.235  25.083   0.600  0.15010038E+02
PHI    1944 o    val   203      -7.490   4.515  25.931  -0.550  -.17560099E+02
PHI    1945 n    thr   204      -9.274   5.638  25.096  -0.400  0.16829405E+02
PHI    1946 h    thr   204      -9.538   6.346  24.444   0.250  0.15432736E+02
PHI    1947 ca   thr   204     -10.263   4.792  25.731   0.100  0.38977821E+02
PHI    1948 cb   thr   204     -11.356   5.662  26.334   0.250  0.64708495E+01
PHI    1949 og1  thr   204     -10.744   6.587  27.244  -0.650  -.80261223E+02
PHI    1950 hg1  thr   204     -10.149   7.118  26.708   0.400  -.26523697E+02
PHI    1951 cg2  thr   204     -12.420   4.840  27.073   0.000  0.70382338E+01
PHI    1952 c    thr   204     -10.803   3.760  24.758   0.600  0.32061222E+02
PHI    1953 o    thr   204     -11.512   4.053  23.802  -0.550  0.34262745E+01
PHI    1954 n    trp   205     -10.384   2.538  25.091  -0.400  0.12200284E+02
PHI    1955 h    trp   205      -9.797   2.450  25.893   0.250  0.92794161E+01
PHI    1956 ca   trp   205     -10.832   1.321  24.428   0.100  0.10759678E+02
PHI    1957 cb   trp   205      -9.802   0.245  24.730   0.000  0.72781849E+01
PHI    1958 cg   trp   205      -9.126  -0.178  23.465  -0.030  0.56719007E+01
PHI    1959 cd2  trp   205      -9.692  -0.949  22.390   0.100  0.69278345E+01
PHI    1960 ce2  trp   205      -8.666  -1.093  21.403  -0.040  -.59628666E+02
PHI    1961 ce3  trp   205     -10.964  -1.519  22.183  -0.030  0.29484165E+01
PHI    1962 cd1  trp   205      -7.809   0.105  23.087   0.060  -.20928082E+01
PHI    1963 ne1  trp   205      -7.538  -0.433  21.873  -0.360  -.97495260E+01
PHI    1964 he1  trp   205      -6.674  -0.326  21.411   0.300  0.32856158E+03
PHI    1965 cz2  trp   205      -8.935  -1.810  20.223   0.000  0.12984253E+01
PHI    1966 cz3  trp   205     -11.215  -2.234  20.997   0.000  -.98302060E+00
PHI    1967 ch2  trp   205     -10.208  -2.380  20.020   0.000  0.22414844E+00
PHI    1968 c    trp   205     -12.138   0.831  25.009   0.600  0.97248421E+01
PHI    1969 o    trp   205     -12.222   0.644  26.224  -0.550  -.13286693E+02
PHI    1970 n    ile   206     -13.136   0.578  24.171  -0.400  -.18295710E+02
PHI    1971 h    ile   206     -12.967   0.640  23.189   0.250  0.91709328E+00
PHI    1972 ca   ile   206     -14.389  -0.017  24.640   0.100  0.11983572E+02
PHI    1973 cb   ile   206     -15.556   0.964  24.448   0.000  0.68456316E+01
PHI    1974 cg2  ile   206     -16.828   0.392  25.080   0.000  0.27147865E+01
PHI    1975 cg1  ile   206     -15.238   2.343  25.038   0.000  0.22347755E+01
PHI    1976 cd1  ile   206     -16.292   3.399  24.701   0.000  0.13941755E+01
PHI    1977 c    ile   206     -14.625  -1.312  23.874   0.600  0.19679413E+02
PHI    1978 o    ile   206     -14.721  -1.325  22.647  -0.550  -.37228584E+02
PHI    1979 n    val   207     -14.624  -2.402  24.646  -0.400  -.30028965E+01
PHI    1980 h    val   207     -14.622  -2.350  25.640   0.250  0.78427773E+01
PHI    1981 ca   val   207     -14.668  -3.716  24.007   0.100  0.31070751E+02
PHI    1982 cb   val   207     -13.472  -4.580  24.438   0.000  0.76171002E+01
PHI    1983 cg1  val   207     -13.255  -5.714  23.437   0.000  -.17606859E+00
PHI    1984 cg2  val   207     -12.190  -3.772  24.655   0.000  0.31333687E+01
PHI    1985 c    val   207     -15.960  -4.428  24.349   0.600  0.25602165E+02
PHI    1986 o    val   207     -16.303  -4.596  25.514  -0.550  -.31828119E+02
PHI    1987 n    leu   208     -16.700  -4.820  23.301  -0.400  0.20255713E+01
PHI    1988 h    leu   208     -16.349  -4.578  22.397   0.250  -.75237155E+01
PHI    1989 ca   leu   208     -18.023  -5.460  23.480   0.100  0.15498575E+02
PHI    1990 cb   leu   208     -18.845  -5.213  22.205   0.000  0.13299140E+01
PHI    1991 cg   leu   208     -19.093  -3.811  21.716   0.000  -.14335039E+01
PHI    1992 cd1  leu   208     -20.163  -3.826  20.603   0.000  -.13656564E+01
PHI    1993 cd2  leu   208     -19.576  -2.988  22.930   0.000  -.97226936E+00
PHI    1994 c    leu   208     -17.850  -6.907  23.844   0.600  0.54711040E+02
PHI    1995 o    leu   208     -16.953  -7.581  23.336  -0.550  -.66927032E+01
PHI    1996 n    lys   209     -18.757  -7.340  24.754  -0.400  0.26100084E+02
PHI    1997 h    lys   209     -19.435  -6.686  25.087   0.250  0.96138744E+01
PHI    1998 ca   lys   209     -18.782  -8.709  25.261   0.100  0.13200794E+02
PHI    1999 cb   lys   209     -19.834  -8.853  26.444   0.000  0.89552164E+01
PHI    2000 cg   lys   209     -19.758 -10.316  26.932   0.000  0.82035666E+01
PHI    2001 cd   lys   209     -20.565 -10.492  28.221   0.000  0.11767150E+02
PHI    2002 ce   lys   209     -22.048 -10.353  27.971   0.250  0.22681345E+02
PHI    2003 nz   lys   209     -22.874 -10.596  29.233  -0.300  0.31381151E+02
PHI    2004 hz1  lys   209     -22.397 -10.161  30.049   0.350  0.47094521E+02
PHI    2005 hz2  lys   209     -22.970 -11.619  29.393   0.350  0.20319950E+02
PHI    2006 hz3  lys   209     -23.817 -10.173  29.117   0.350  0.24468895E+02
PHI    2007 c    lys   209     -19.184  -9.693  24.171   0.600  0.46796871E+02
PHI    2008 o    lys   209     -18.596 -10.777  24.045  -0.550  -.41976323E+01
PHI    2009 n    glu   210     -20.174  -9.328  23.353  -0.400  0.14939855E+02
PHI    2010 h    glu   210     -20.574  -8.417  23.457   0.250  0.10811213E+02
PHI    2011 ca   glu   210     -20.676 -10.227  22.321   0.100  0.13268983E+02
PHI    2012 cb   glu   210     -22.197  -9.977  22.151   0.000  0.27639282E+01
PHI    2013 cg   glu   210     -23.013 -10.738  21.152   0.000  -.78492994E+01
PHI    2014 cd   glu   210     -24.384 -10.272  20.781   0.140  -.39919125E+02
PHI    2015 oe1  glu   210     -24.982 -10.520  19.718  -0.570  -.55880581E+02
PHI    2016 oe2  glu   210     -25.001  -9.495  21.561  -0.570  -.38827152E+02
PHI    2017 c    glu   210     -20.032 -10.117  20.965   0.600  0.32366379E+02
PHI    2018 o    glu   210     -20.040  -9.017  20.371  -0.550  -.60529137E+01
PHI    2019 n    pro   211     -19.513 -11.197  20.474  -0.250  0.29792733E+01
PHI    2020 cd   pro   211     -19.443 -12.551  21.114   0.100  0.13759768E+02
PHI    2021 ca   pro   211     -18.819 -11.238  19.173   0.100  0.16646023E+02
PHI    2022 cb   pro   211     -17.989 -12.490  19.210   0.000  0.72021847E+01
PHI    2023 cg   pro   211     -18.126 -13.067  20.557   0.000  0.51722603E+01
PHI    2024 c    pro   211     -19.893 -11.266  18.057   0.600  0.22181433E+02
PHI    2025 o    pro   211     -21.081 -11.543  18.277  -0.550  -.60589634E+02
PHI    2026 n    ile   212     -19.469 -10.940  16.869  -0.400  -.93985205E+01
PHI    2027 h    ile   212     -18.525 -10.627  16.769   0.250  -.12013315E+00
PHI    2028 ca   ile   212     -20.338 -11.020  15.680   0.100  0.15810793E+02
PHI    2029 cb   ile   212     -20.410  -9.734  14.822   0.000  0.75571609E+01
PHI    2030 cg2  ile   212     -20.985  -8.542  15.647   0.000  0.18918114E+01
PHI    2031 cg1  ile   212     -19.001  -9.409  14.249   0.000  0.37619014E+01
PHI    2032 cd1  ile   212     -18.914  -8.449  13.048   0.000  0.20353067E+01
PHI    2033 c    ile   212     -19.700 -12.273  14.974   0.600  0.20354717E+02
PHI    2034 o    ile   212     -18.487 -12.572  15.179  -0.550  -.22228830E+02
PHI    2035 n    ser   213     -20.494 -12.986  14.279  -0.400  -.88142520E+00
PHI    2036 h    ser   213     -21.466 -12.756  14.236   0.250  -.24395001E+01
PHI    2037 ca   ser   213     -19.949 -14.147  13.547   0.100  0.22312599E+02
PHI    2038 cb   ser   213     -20.763 -15.354  13.948   0.250  0.86413107E+01
PHI    2039 og   ser   213     -21.887 -15.536  13.144  -0.650  -.80183201E+01
PHI    2040 hg   ser   213     -21.621 -15.339  12.256   0.400  0.11252839E+02
PHI    2041 c    ser   213     -19.863 -13.774  12.061   0.600  0.25765198E+02
PHI    2042 o    ser   213     -20.684 -12.990  11.539  -0.550  -.33070213E+02
PHI    2043 n    val   214     -18.854 -14.276  11.403  -0.400  0.13044247E+02
PHI    2044 h    val   214     -18.205 -14.805  11.946   0.250  0.14268624E+02
PHI    2045 ca   val   214     -18.571 -14.153   9.981   0.100  0.10217677E+02
PHI    2046 cb   val   214     -17.412 -13.190   9.700   0.000  0.65767474E+01
PHI    2047 cg1  val   214     -17.689 -11.880  10.411   0.000  0.13752035E+01
PHI    2048 cg2  val   214     -16.068 -13.755  10.045   0.000  0.23661721E+01
PHI    2049 c    val   214     -18.286 -15.555   9.400   0.600  0.21857992E+02
PHI    2050 o    val   214     -17.895 -16.456  10.139  -0.550  -.86990948E+01
PHI    2051 n    ser   215     -18.445 -15.720   8.087  -0.400  -.66591578E+01
PHI    2052 h    ser   215     -18.724 -14.953   7.509   0.250  -.11842155E+01
PHI    2053 ca   ser   215     -18.195 -17.067   7.524   0.100  0.18560932E+02
PHI    2054 cb   ser   215     -19.027 -17.347   6.265   0.250  0.30408180E+02
PHI    2055 og   ser   215     -18.608 -16.490   5.270  -0.650  -.41887531E+01
PHI    2056 hg   ser   215     -18.598 -16.991   4.465   0.400  0.20584457E+01
PHI    2057 c    ser   215     -16.715 -17.199   7.213   0.600  0.31743549E+02
PHI    2058 o    ser   215     -16.014 -16.198   7.027  -0.550  -.86650953E+01
PHI    2059 n    ser   216     -16.352 -18.472   7.116  -0.400  0.13946197E+02
PHI    2060 h    ser   216     -17.035 -19.179   7.299   0.250  0.27630451E+00
PHI    2061 ca   ser   216     -14.990 -18.859   6.751   0.100  0.41101936E+02
PHI    2062 cb   ser   216     -14.913 -20.385   6.648   0.250  0.26723068E+02
PHI    2063 og   ser   216     -13.599 -20.759   6.200  -0.650  -.47564571E+02
PHI    2064 hg   ser   216     -13.003 -20.094   6.518   0.400  -.25889400E+02
PHI    2065 c    ser   216     -14.551 -18.149   5.454   0.600  0.15747858E+02
PHI    2066 o    ser   216     -13.383 -17.685   5.370  -0.550  -.31894342E+02
PHI    2067 n    glu   217     -15.431 -18.082   4.455  -0.400  0.18246258E+02
PHI    2068 h    glu   217     -16.335 -18.479   4.608   0.250  0.18913816E+02
PHI    2069 ca   glu   217     -15.147 -17.467   3.165   0.100  0.36077408E+02
PHI    2070 cb   glu   217     -16.088 -17.819   2.035   0.000  0.49811726E+01
PHI    2071 cg   glu   217     -17.428 -18.353   2.160   0.000  -.65894418E+01
PHI    2072 cd   glu   217     -17.799 -19.532   3.012   0.140  -.41090248E+02
PHI    2073 oe1  glu   217     -18.328 -19.499   4.092  -0.570  -.33466618E+02
PHI    2074 oe2  glu   217     -17.440 -20.581   2.479  -0.570  -.42820393E+02
PHI    2075 c    glu   217     -14.968 -15.954   3.252   0.600  0.11453097E+03
PHI    2076 o    glu   217     -14.202 -15.401   2.501  -0.550  0.15174920E+02
PHI    2077 n    gln   218     -15.679 -15.317   4.153  -0.400  0.34138371E+02
PHI    2078 h    gln   218     -16.341 -15.833   4.697   0.250  0.35526253E+02
PHI    2079 ca   gln   218     -15.514 -13.837   4.377   0.100  0.20610960E+02
PHI    2080 cb   gln   218     -16.583 -13.249   5.222   0.000  0.89548111E+01
PHI    2081 cg   gln   218     -17.907 -13.070   4.583   0.000  0.14939634E+02
PHI    2082 cd   gln   218     -19.082 -12.663   5.433   0.550  -.68117094E+01
PHI    2083 oe1  gln   218     -19.159 -13.087   6.580  -0.550  -.25880346E+02
PHI    2084 ne2  gln   218     -19.938 -11.818   4.894  -0.600  -.54632773E+01
PHI    2085 he21 gln   218     -19.785 -11.483   3.964   0.300  -.50754862E+01
PHI    2086 he22 gln   218     -20.742 -11.503   5.398   0.300  0.63635721E+01
PHI    2087 c    gln   218     -14.121 -13.598   4.944   0.600  0.34767203E+01
PHI    2088 o    gln   218     -13.433 -12.678   4.467  -0.550  -.38231808E+02
PHI    2089 n    val   219     -13.711 -14.370   5.979  -0.400  -.11985416E+02
PHI    2090 h    val   219     -14.306 -15.088   6.339   0.250  -.98882996E-01
PHI    2091 ca   val   219     -12.337 -14.114   6.567   0.100  0.26861916E+02
PHI    2092 cb   val   219     -12.100 -14.811   7.926   0.000  0.10664507E+02
PHI    2093 cg1  val   219     -10.711 -14.497   8.597   0.000  0.42529621E+01
PHI    2094 cg2  val   219     -13.024 -14.421   9.058   0.000  0.25677328E+01
PHI    2095 c    val   219     -11.258 -14.452   5.539   0.600  0.29532320E+02
PHI    2096 o    val   219     -10.197 -13.819   5.539  -0.550  0.11684033E+01
PHI    2097 n    leu   220     -11.524 -15.440   4.656  -0.400  0.15524791E+02
PHI    2098 h    leu   220     -12.407 -15.901   4.734   0.250  0.14066126E+02
PHI    2099 ca   leu   220     -10.620 -15.861   3.623   0.100  0.30731152E+02
PHI    2100 cb   leu   220     -11.141 -17.089   2.808   0.000  0.92394304E+01
PHI    2101 cg   leu   220     -10.944 -18.384   3.543   0.000  0.28856142E+01
PHI    2102 cd1  leu   220     -11.489 -19.564   2.721   0.000  0.69740653E+00
PHI    2103 cd2  leu   220      -9.418 -18.470   3.747   0.000  0.28481202E+01
PHI    2104 c    leu   220     -10.192 -14.721   2.690   0.600  0.28815701E+02
PHI    2105 o    leu   220      -9.024 -14.713   2.362  -0.550  -.30949024E+02
PHI    2106 n    lys   221     -11.093 -13.882   2.334  -0.400  0.25073149E+02
PHI    2107 h    lys   221     -12.020 -14.034   2.673   0.250  0.19680714E+02
PHI    2108 ca   lys   221     -10.849 -12.729   1.472   0.100  0.23625805E+02
PHI    2109 cb   lys   221     -12.167 -12.140   0.974   0.000  0.56927915E+01
PHI    2110 cg   lys   221     -13.061 -13.347   0.509   0.000  0.22318046E+01
PHI    2111 cd   lys   221     -14.000 -12.906  -0.615   0.000  0.10005941E+02
PHI    2112 ce   lys   221     -14.756 -14.129  -1.185   0.250  0.36913372E+02
PHI    2113 nz   lys   221     -15.810 -13.595  -2.072  -0.300  0.34643753E+02
PHI    2114 hz1  lys   221     -15.373 -13.040  -2.835   0.350  0.33818893E+02
PHI    2115 hz2  lys   221     -16.449 -12.986  -1.523   0.350  0.44032471E+02
PHI    2116 hz3  lys   221     -16.350 -14.383  -2.483   0.350  0.38368248E+02
PHI    2117 c    lys   221      -9.987 -11.737   2.174   0.600  0.13236571E+02
PHI    2118 o    lys   221      -9.138 -11.112   1.462  -0.550  -.27153059E+02
PHI    2119 n    phe   222     -10.109 -11.578   3.504  -0.400  0.26679568E+01
PHI    2120 h    phe   222     -10.825 -12.019   4.044   0.250  0.31260731E+01
PHI    2121 ca   phe   222      -9.155 -10.691   4.181   0.100  0.11582860E+02
PHI    2122 cb   phe   222      -9.412 -10.668   5.695   0.000  0.62500739E+01
PHI    2123 cg   phe   222     -10.752 -10.100   6.129   0.000  0.12220412E+01
PHI    2124 cd1  phe   222     -11.547  -9.313   5.266   0.000  0.10468084E+01
PHI    2125 cd2  phe   222     -11.176 -10.368   7.450   0.000  0.10964884E+01
PHI    2126 ce1  phe   222     -12.768  -8.783   5.725   0.000  0.27894884E+00
PHI    2127 ce2  phe   222     -12.396  -9.838   7.916   0.000  0.11797189E+01
PHI    2128 cz   phe   222     -13.178  -9.047   7.049   0.000  0.79391885E+00
PHI    2129 c    phe   222      -7.705 -11.090   3.923   0.600  0.15624864E+02
PHI    2130 o    phe   222      -6.848 -10.311   3.531  -0.550  -.17552481E+02
PHI    2131 n    arg   223      -7.518 -12.409   4.089  -0.400  0.95323687E+01
PHI    2132 h    arg   223      -8.311 -12.990   4.269   0.250  0.92842064E+01
PHI    2133 ca   arg   223      -6.207 -13.053   3.952   0.100  0.36665222E+02
PHI    2134 cb   arg   223      -6.245 -14.561   4.411   0.000  0.68276930E+01
PHI    2135 cg   arg   223      -6.571 -14.630   5.948   0.000  0.34112797E+01
PHI    2136 cd   arg   223      -6.774 -16.127   6.300   0.100  0.91440964E+01
PHI    2137 ne   arg   223      -7.321 -16.268   7.628  -0.400  -.77358408E+01
PHI    2138 he   arg   223      -7.018 -15.611   8.316   0.300  -.61389947E+01
PHI    2139 cz   arg   223      -8.186 -17.178   8.039   0.500  0.14115726E+02
PHI    2140 nh1  arg   223      -8.627 -18.117   7.159  -0.450  0.21304377E+02
PHI    2141 hh11 arg   223      -8.296 -18.112   6.215   0.350  0.16823698E+02
PHI    2142 hh12 arg   223      -9.282 -18.812   7.456   0.350  0.22379955E+02
PHI    2143 nh2  arg   223      -8.719 -17.185   9.258  -0.450  -.35880010E+01
PHI    2144 hh21 arg   223      -8.589 -16.401   9.865   0.350  0.53220205E+01
PHI    2145 hh22 arg   223      -9.249 -17.974   9.567   0.350  -.53719702E+01
PHI    2146 c    arg   223      -5.564 -12.991   2.607   0.600  0.26362638E+02
PHI    2147 o    arg   223      -4.380 -13.387   2.421  -0.550  -.22551672E+02
PHI    2148 n    lys   224      -6.317 -12.486   1.617  -0.400  0.13058422E+02
PHI    2149 h    lys   224      -7.253 -12.211   1.833   0.250  0.14976324E+02
PHI    2150 ca   lys   224      -5.829 -12.325   0.255   0.100  0.33598965E+02
PHI    2151 cb   lys   224      -6.964 -12.624  -0.764   0.000  0.69598427E+01
PHI    2152 cg   lys   224      -7.362 -14.134  -0.682   0.000  0.43676100E+01
PHI    2153 cd   lys   224      -8.212 -14.562  -1.882   0.000  0.72038026E+01
PHI    2154 ce   lys   224      -8.051 -16.077  -2.113   0.250  0.23411467E+02
PHI    2155 nz   lys   224      -9.058 -16.564  -3.150  -0.300  0.34407078E+02
PHI    2156 hz1  lys   224      -8.796 -16.196  -4.087   0.350  0.31085949E+02
PHI    2157 hz2  lys   224     -10.008 -16.225  -2.897   0.350  0.22336102E+02
PHI    2158 hz3  lys   224      -9.056 -17.604  -3.173   0.350  0.31400919E+02
PHI    2159 c    lys   224      -5.149 -11.004   0.036   0.600  0.24201942E+02
PHI    2160 o    lys   224      -4.527 -10.705  -1.038  -0.550  -.35976315E+02
PHI    2161 n    leu   225      -5.234 -10.099   0.995  -0.400  -.67227000E+00
PHI    2162 h    leu   225      -5.736 -10.335   1.827   0.250  0.12080804E+01
PHI    2163 ca   leu   225      -4.606  -8.740   0.874   0.100  0.12773184E+02
PHI    2164 cb   leu   225      -5.327  -7.911   1.891   0.000  0.63191719E+01
PHI    2165 cg   leu   225      -6.346  -6.816   1.585   0.000  0.76365709E-01
PHI    2166 cd1  leu   225      -7.217  -7.040   0.433   0.000  -.68136847E+00
PHI    2167 cd2  leu   225      -7.163  -6.739   2.902   0.000  -.19070346E+01
PHI    2168 c    leu   225      -3.089  -8.835   1.027   0.600  0.20504541E+02
PHI    2169 o    leu   225      -2.470  -9.828   1.483  -0.550  -.32808346E+02
PHI    2170 n    asn   226      -2.391  -7.819   0.605  -0.400  0.25628603E+02
PHI    2171 h    asn   226      -2.915  -7.047   0.251   0.250  0.36127872E+02
PHI    2172 ca   asn   226      -0.964  -7.696   0.597   0.100  0.13735409E+02
PHI    2173 cb   asn   226      -0.411  -7.575  -0.830   0.000  0.14240565E+02
PHI    2174 cg   asn   226      -0.514  -8.804  -1.721   0.550  -.58647099E+01
PHI    2175 od1  asn   226      -0.082  -8.653  -2.937  -0.550  -.59098148E+02
PHI    2176 nd2  asn   226      -0.964  -9.969  -1.313  -0.600  -.33474949E+02
PHI    2177 hd21 asn   226      -1.401 -10.045  -0.417   0.300  -.75976682E+01
PHI    2178 hd22 asn   226      -0.879 -10.786  -1.883   0.300  -.16033604E+02
PHI    2179 c    asn   226      -0.464  -6.500   1.433   0.600  0.13929751E+02
PHI    2180 o    asn   226      -0.969  -5.448   1.420  -0.550  -.34090843E+02
PHI    2181 n    phe   227       0.661  -6.824   2.153  -0.400  0.15204078E+02
PHI    2182 h    phe   227       1.019  -7.757   2.130   0.250  0.27171023E+01
PHI    2183 ca   phe   227       1.317  -5.776   2.948   0.100  0.19705215E+02
PHI    2184 cb   phe   227       2.222  -6.265   4.046   0.000  0.41209812E+01
PHI    2185 cg   phe   227       1.718  -6.908   5.284   0.000  -.40257984E+00
PHI    2186 cd1  phe   227       2.124  -8.222   5.624   0.000  -.32106352E+01
PHI    2187 cd2  phe   227       0.840  -6.250   6.114   0.000  -.95227301E+00
PHI    2188 ce1  phe   227       1.673  -8.850   6.782   0.000  -.15827035E+01
PHI    2189 ce2  phe   227       0.324  -6.844   7.278   0.000  0.83326101E+00
PHI    2190 cz   phe   227       0.812  -8.174   7.622   0.000  0.37402865E+00
PHI    2191 c    phe   227       2.143  -4.907   1.953   0.600  0.11509590E+02
PHI    2192 o    phe   227       2.234  -3.649   2.140  -0.550  -.14425205E+02
PHI    2193 n    asn   228       2.700  -5.558   1.010  -0.400  0.52604947E+01
PHI    2194 h    asn   228       2.547  -6.545   0.997   0.250  0.70800104E+01
PHI    2195 ca   asn   228       3.559  -4.971  -0.073   0.100  0.85297022E+01
PHI    2196 cb   asn   228       4.285  -6.116  -0.810   0.000  0.15984054E+02
PHI    2197 cg   asn   228       3.289  -6.989  -1.521   0.550  0.23707476E+02
PHI    2198 od1  asn   228       2.811  -7.902  -0.865  -0.550  -.12007272E+02
PHI    2199 nd2  asn   228       3.039  -6.742  -2.830  -0.600  -.53362701E+02
PHI    2200 hd21 asn   228       2.500  -7.394  -3.363   0.300  -.20101835E+02
PHI    2201 hd22 asn   228       3.384  -5.917  -3.276   0.300  -.10410320E+02
PHI    2202 c    asn   228       2.760  -4.128  -1.061   0.600  0.28439247E+02
PHI    2203 o    asn   228       1.581  -4.229  -1.250  -0.550  -.61417625E+02
PHI    2204 n    gly   229       3.535  -3.263  -1.714  -0.400  0.19120512E+02
PHI    2205 h    gly   229       4.515  -3.237  -1.518   0.250  0.88792295E+01
PHI    2206 ca   gly   229       2.939  -2.339  -2.732   0.100  0.25835016E+02
PHI    2207 c    gly   229       2.947  -3.111  -4.071   0.600  0.18420012E+02
PHI    2208 o    gly   229       3.596  -4.125  -4.157  -0.550  -.19520370E+02
PHI    2209 n    glu   230       2.215  -2.526  -5.009  -0.400  0.71282969E+01
PHI    2210 h    glu   230       1.743  -1.669  -4.801   0.250  0.14466200E+01
PHI    2211 ca   glu   230       2.103  -3.129  -6.326   0.100  0.56698880E+01
PHI    2212 cb   glu   230       1.292  -2.225  -7.261   0.000  0.27846766E+01
PHI    2213 cg   glu   230       0.896  -2.927  -8.559   0.000  -.66997333E+01
PHI    2214 cd   glu   230      -0.145  -2.138  -9.307   0.140  -.40658524E+02
PHI    2215 oe1  glu   230      -0.895  -2.646 -10.087  -0.570  -.51934677E+02
PHI    2216 oe2  glu   230      -0.159  -0.933  -9.059  -0.570  -.81093773E+02
PHI    2217 c    glu   230       3.496  -3.310  -6.967   0.600  0.91443491E+01
PHI    2218 o    glu   230       4.342  -2.415  -6.865  -0.550  -.53626053E+02
PHI    2219 n    gly   231       3.708  -4.467  -7.546  -0.400  0.17391024E+02
PHI    2220 h    gly   231       2.983  -5.153  -7.495   0.250  0.22451174E+02
PHI    2221 ca   gly   231       4.938  -4.796  -8.252   0.100  0.99796543E+01
PHI    2222 c    gly   231       6.061  -5.200  -7.351   0.600  0.63453712E+02
PHI    2223 o    gly   231       7.236  -5.231  -7.745  -0.550  -.23092886E+02
PHI    2224 n    glu   232       5.689  -5.537  -6.110  -0.400  0.43607526E+01
PHI    2225 h    glu   232       4.726  -5.485  -5.845   0.250  0.14676877E+02
PHI    2226 ca   glu   232       6.721  -5.982  -5.152   0.100  0.87194055E+00
PHI    2227 cb   glu   232       6.713  -5.213  -3.831   0.000  -.19862211E+01
PHI    2228 cg   glu   232       6.930  -3.732  -3.949   0.000  -.15549459E+02
PHI    2229 cd   glu   232       7.064  -2.941  -2.709   0.140  -.52599583E+02
PHI    2230 oe1  glu   232       6.532  -3.198  -1.627  -0.570  -.37746349E+02
PHI    2231 oe2  glu   232       7.820  -1.940  -2.862  -0.570  -.58481903E+02
PHI    2232 c    glu   232       6.439  -7.418  -4.874   0.600  0.11796820E+02
PHI    2233 o    glu   232       5.378  -7.899  -5.274  -0.550  -.75735402E+01
PHI    2234 n    pro   233       7.387  -8.066  -4.244  -0.250  -.10529594E+02
PHI    2235 cd   pro   233       8.665  -7.509  -3.769   0.100  0.42556744E+01
PHI    2236 ca   pro   233       7.251  -9.476  -3.873   0.100  0.84730425E+01
PHI    2237 cb   pro   233       8.567  -9.844  -3.288   0.000  0.62674432E+01
PHI    2238 cg   pro   233       9.546  -8.785  -3.823   0.000  0.20992100E+01
PHI    2239 c    pro   233       6.034  -9.503  -2.894   0.600  0.44737274E+02
PHI    2240 o    pro   233       5.937  -8.700  -1.961  -0.550  -.20979454E+02
PHI    2241 n    glu   234       5.172 -10.448  -3.188  -0.400  0.15149868E+02
PHI    2242 h    glu   234       5.398 -11.041  -3.960   0.250  0.81190529E+01
PHI    2243 ca   glu   234       3.937 -10.692  -2.488   0.100  0.69080648E+01
PHI    2244 cb   glu   234       2.902 -11.581  -3.227   0.000  0.38928993E+01
PHI    2245 cg   glu   234       1.497 -11.551  -2.552   0.000  -.77558579E+01
PHI    2246 cd   glu   234       0.446 -12.264  -3.311   0.140  -.35387856E+02
PHI    2247 oe1  glu   234      -0.756 -12.110  -3.351  -0.570  -.27004353E+02
PHI    2248 oe2  glu   234       0.941 -13.164  -4.048  -0.570  -.58307735E+02
PHI    2249 c    glu   234       4.151 -11.315  -1.124   0.600  0.41435513E+02
PHI    2250 o    glu   234       4.758 -12.321  -0.884  -0.550  -.54051223E+01
PHI    2251 n    glu   235       3.527 -10.575  -0.202  -0.400  0.61828556E+01
PHI    2252 h    glu   235       3.050  -9.756  -0.518   0.250  0.38401325E+01
PHI    2253 ca   glu   235       3.499 -10.886   1.222   0.100  0.14520576E+02
PHI    2254 cb   glu   235       4.437  -9.951   1.934   0.000  0.17327945E+01
PHI    2255 cg   glu   235       4.339  -9.805   3.468   0.000  -.10554247E+02
PHI    2256 cd   glu   235       5.327  -8.852   4.079   0.140  -.44359306E+02
PHI    2257 oe1  glu   235       5.975  -8.021   3.387  -0.570  -.80167557E+02
PHI    2258 oe2  glu   235       5.405  -9.025   5.363  -0.570  -.29771200E+02
PHI    2259 c    glu   235       2.061 -10.737   1.741   0.600  -.28672893E+01
PHI    2260 o    glu   235       1.616  -9.591   1.853  -0.550  -.37118195E+02
PHI    2261 n    leu   236       1.402 -11.804   1.981  -0.400  0.59510856E+01
PHI    2262 h    leu   236       1.882 -12.664   1.818   0.250  0.10774830E+02
PHI    2263 ca   leu   236       0.055 -11.884   2.457   0.100  0.31815111E+02
PHI    2264 cb   leu   236      -0.301 -13.360   2.541   0.000  0.78497949E+01
PHI    2265 cg   leu   236      -0.382 -14.049   1.154   0.000  0.18068795E+01
PHI    2266 cd1  leu   236      -0.939 -15.465   1.444   0.000  0.17482100E-01
PHI    2267 cd2  leu   236      -1.276 -13.328   0.239   0.000  0.27604160E+00
PHI    2268 c    leu   236      -0.102 -11.093   3.767   0.600  0.27114584E+02
PHI    2269 o    leu   236       0.693 -11.260   4.671  -0.550  -.31521297E+02
PHI    2270 n    met   237      -1.163 -10.278   3.781  -0.400  0.30299649E+01
PHI    2271 h    met   237      -1.867 -10.356   3.085   0.250  -.54211202E+01
PHI    2272 ca   met   237      -1.529  -9.490   4.948   0.100  0.96964149E+01
PHI    2273 cb   met   237      -2.369  -8.285   4.504   0.000  0.55074878E+01
PHI    2274 cg   met   237      -2.966  -7.416   5.618   0.060  0.46948056E+01
PHI    2275 sd   met   237      -4.143  -6.196   4.995  -0.120  -.85084190E+01
PHI    2276 ce   met   237      -3.001  -5.301   3.932   0.060  0.37683449E+01
PHI    2277 c    met   237      -2.335 -10.413   5.822   0.600  0.81718903E+01
PHI    2278 o    met   237      -3.511 -10.662   5.568  -0.550  -.28924744E+01
PHI    2279 n    val   238      -1.594 -10.962   6.776  -0.400  0.47360544E+01
PHI    2280 h    val   238      -0.622 -10.734   6.771   0.250  0.41478682E+01
PHI    2281 ca   val   238      -2.058 -11.902   7.748   0.100  0.11055216E+02
PHI    2282 cb   val   238      -1.931 -13.405   7.332   0.000  0.54045672E+01
PHI    2283 cg1  val   238      -2.825 -13.616   6.095   0.000  -.42217091E+00
PHI    2284 cg2  val   238      -0.541 -13.919   7.158   0.000  0.85218519E+00
PHI    2285 c    val   238      -1.274 -11.617   9.076   0.600  0.43795345E+02
PHI    2286 o    val   238      -0.140 -11.146   8.971  -0.550  -.33061939E+02
PHI    2287 n    asp   239      -1.839 -12.137  10.184  -0.400  0.12115932E+02
PHI    2288 h    asp   239      -2.798 -12.388  10.080   0.250  0.96929379E+01
PHI    2289 ca   asp   239      -1.167 -12.232  11.488   0.100  0.58642435E+01
PHI    2290 cb   asp   239       0.094 -13.133  11.514   0.000  -.95562134E+01
PHI    2291 cg   asp   239      -0.274 -14.562  11.897   0.140  -.38673519E+02
PHI    2292 od1  asp   239       0.525 -15.283  12.509  -0.570  -.35605354E+02
PHI    2293 od2  asp   239      -1.382 -14.970  11.582  -0.570  -.40282219E+02
PHI    2294 c    asp   239      -0.880 -10.873  12.048   0.600  0.12844318E+02
PHI    2295 o    asp   239       0.035 -10.647  12.830  -0.550  -.20480833E+02
PHI    2296 n    asn   240      -1.749  -9.968  11.590  -0.400  0.15098786E+01
PHI    2297 h    asn   240      -2.622 -10.258  11.187   0.250  0.81233435E+01
PHI    2298 ca   asn   240      -1.428  -8.558  11.753   0.100  0.39402626E+02
PHI    2299 cb   asn   240      -1.994  -7.753  10.566   0.000  0.18269049E+02
PHI    2300 cg   asn   240      -3.503  -7.559  10.661   0.550  0.12304356E+02
PHI    2301 od1  asn   240      -4.233  -8.340  11.274  -0.550  -.32885311E+02
PHI    2302 nd2  asn   240      -3.914  -6.424  10.090  -0.600  0.64101100E+01
PHI    2303 hd21 asn   240      -3.341  -5.886   9.479   0.300  0.81410046E+01
PHI    2304 hd22 asn   240      -4.831  -6.118  10.327   0.300  0.24044511E+01
PHI    2305 c    asn   240      -1.858  -7.979  13.088   0.600  0.18013357E+02
PHI    2306 o    asn   240      -2.202  -6.812  13.198  -0.550  -.13369960E+02
PHI    2307 n    trp   241      -1.869  -8.826  14.124  -0.400  0.20424807E+02
PHI    2308 h    trp   241      -1.466  -9.738  14.052   0.250  0.24060902E+02
PHI    2309 ca   trp   241      -2.565  -8.437  15.349   0.100  0.26218660E+02
PHI    2310 cb   trp   241      -3.740  -9.394  15.608   0.000  0.28809214E+01
PHI    2311 cg   trp   241      -3.297 -10.838  15.496  -0.030  -.80141288E+00
PHI    2312 cd2  trp   241      -2.722 -11.681  16.516   0.100  0.39648235E+01
PHI    2313 ce2  trp   241      -2.424 -12.945  15.902  -0.040  -.19453667E+02
PHI    2314 ce3  trp   241      -2.423 -11.474  17.880  -0.030  -.19158822E+01
PHI    2315 cd1  trp   241      -3.319 -11.631  14.338   0.060  -.21137705E+01
PHI    2316 ne1  trp   241      -2.807 -12.869  14.566  -0.360  -.23397118E+02
PHI    2317 he1  trp   241      -2.616 -13.549  13.873   0.300  -.14514151E+01
PHI    2318 cz2  trp   241      -1.823 -13.969  16.663   0.000  -.16149120E+01
PHI    2319 cz3  trp   241      -1.825 -12.507  18.630   0.000  -.77403235E+00
PHI    2320 ch2  trp   241      -1.524 -13.746  18.023   0.000  -.32004559E+00
PHI    2321 c    trp   241      -1.624  -8.369  16.530   0.600  0.61624516E+02
PHI    2322 o    trp   241      -0.591  -9.036  16.554  -0.550  0.98187679E+00
PHI    2323 n    arg   242      -2.001  -7.508  17.486  -0.400  0.18241852E+02
PHI    2324 h    arg   242      -2.914  -7.098  17.475   0.250  0.14086637E+02
PHI    2325 ca   arg   242      -1.096  -7.396  18.616   0.100  0.15640849E+02
PHI    2326 cb   arg   242      -0.954  -5.934  19.047   0.000  0.68814931E+01
PHI    2327 cg   arg   242       0.386  -5.666  19.735   0.000  0.80159245E+01
PHI    2328 cd   arg   242       0.505  -4.250  20.282   0.100  0.21968260E+01
PHI    2329 ne   arg   242       1.856  -3.992  20.781  -0.400  -.58937187E+01
PHI    2330 he   arg   242       2.537  -4.602  20.373   0.300  0.42107973E+01
PHI    2331 cz   arg   242       2.069  -2.944  21.614   0.500  0.11709602E+02
PHI    2332 nh1  arg   242       1.102  -2.077  21.876  -0.450  0.18484064E+02
PHI    2333 hh11 arg   242       0.227  -2.175  21.389   0.350  0.35835071E+03
PHI    2334 hh12 arg   242       1.205  -1.317  22.518   0.350  0.22256872E+02
PHI    2335 nh2  arg   242       3.257  -2.739  22.193  -0.450  0.13482123E+02
PHI    2336 hh21 arg   242       4.053  -3.291  21.952   0.350  0.89137373E+01
PHI    2337 hh22 arg   242       3.378  -2.017  22.884   0.350  0.12985796E+02
PHI    2338 c    arg   242      -1.353  -8.306  19.811   0.600  0.79322838E+02
PHI    2339 o    arg   242      -2.360  -8.271  20.519  -0.550  -.83053851E+00
PHI    2340 n    pro   243      -0.284  -9.084  20.115  -0.250  0.15721060E+02
PHI    2341 cd   pro   243       0.927  -9.299  19.329   0.100  0.60884767E+01
PHI    2342 ca   pro   243      -0.268  -9.778  21.401   0.100  0.18691689E+02
PHI    2343 cb   pro   243       1.064 -10.539  21.355   0.000  0.78828926E+01
PHI    2344 cg   pro   243       1.940  -9.782  20.357   0.000  0.65452509E+01
PHI    2345 c    pro   243      -0.415  -8.849  22.605   0.600  0.10000668E+02
PHI    2346 o    pro   243       0.021  -7.704  22.691  -0.550  -.25692242E+02
PHI    2347 n    ala   244      -1.060  -9.423  23.625  -0.400  0.92925396E+01
PHI    2348 h    ala   244      -1.313 -10.374  23.449   0.250  0.83609219E+01
PHI    2349 ca   ala   244      -1.451  -8.785  24.882   0.100  0.17018808E+02
PHI    2350 cb   ala   244      -2.080  -9.905  25.757   0.000  0.60313282E+01
PHI    2351 c    ala   244      -0.274  -8.144  25.638   0.600  0.26001207E+02
PHI    2352 o    ala   244       0.777  -8.740  25.705  -0.550  -.55546465E+01
PHI    2353 n    gln   245      -0.489  -7.001  26.243  -0.400  0.61602368E+01
PHI    2354 h    gln   245      -1.407  -6.611  26.185   0.250  0.95151997E+01
PHI    2355 ca   gln   245       0.547  -6.268  26.998   0.100  0.14502410E+02
PHI    2356 cb   gln   245       0.557  -4.831  26.506   0.000  0.13775073E+02
PHI    2357 cg   gln   245       0.848  -4.712  24.972   0.000  0.14832386E+02
PHI    2358 cd   gln   245       2.159  -5.385  24.654   0.550  0.16053587E+02
PHI    2359 oe1  gln   245       3.179  -5.075  25.276  -0.550  -.25026234E+02
PHI    2360 ne2  gln   245       2.219  -6.346  23.762  -0.600  0.98548298E+01
PHI    2361 he21 gln   245       1.426  -6.534  23.182   0.300  0.72082372E+01
PHI    2362 he22 gln   245       3.045  -6.897  23.649   0.300  0.12398807E+02
PHI    2363 c    gln   245       0.136  -6.386  28.483   0.600  0.30971455E+02
PHI    2364 o    gln   245      -1.029  -6.655  28.745  -0.550  -.31595152E+02
PHI    2365 n    pro   246       1.116  -6.162  29.383  -0.250  0.14050801E+02
PHI    2366 cd   pro   246       2.478  -5.798  29.041   0.100  0.99837399E+01
PHI    2367 ca   pro   246       0.877  -6.180  30.820   0.100  0.18862450E+02
PHI    2368 cb   pro   246       2.286  -5.788  31.409   0.000  0.97001705E+01
PHI    2369 cg   pro   246       3.220  -6.148  30.313   0.000  0.61903653E+01
PHI    2370 c    pro   246      -0.113  -5.145  31.248   0.600  0.36149181E+02
PHI    2371 o    pro   246      -0.063  -3.987  30.794  -0.550  -.36644299E+02
PHI    2372 n    leu   247      -1.062  -5.553  32.103  -0.400  0.97474985E+01
PHI    2373 h    leu   247      -1.061  -6.506  32.404   0.250  0.79483056E+01
PHI    2374 ca   leu   247      -2.090  -4.631  32.597   0.100  0.23602518E+02
PHI    2375 cb   leu   247      -3.232  -5.550  33.131   0.000  0.84188385E+01
PHI    2376 cg   leu   247      -4.457  -4.765  33.601   0.000  0.42432222E+01
PHI    2377 cd1  leu   247      -5.190  -4.115  32.462   0.000  0.36614194E+01
PHI    2378 cd2  leu   247      -5.348  -5.813  34.299   0.000  0.11779727E+01
PHI    2379 c    leu   247      -1.532  -3.554  33.472   0.600  0.47608536E+02
PHI    2380 o    leu   247      -1.907  -2.340  33.474  -0.550  -.16795025E+02
PHI    2381 n    lys   248      -0.517  -3.927  34.271  -0.400  0.32873483E+01
PHI    2382 h    lys   248      -0.227  -4.881  34.215   0.250  0.47449927E+01
PHI    2383 ca   lys   248       0.169  -3.074  35.183   0.100  0.15064099E+02
PHI    2384 cb   lys   248       0.944  -1.927  34.539   0.000  0.10951932E+02
PHI    2385 cg   lys   248       2.137  -2.554  33.680   0.000  0.80620956E+01
PHI    2386 cd   lys   248       2.823  -1.561  32.840   0.000  0.12777937E+02
PHI    2387 ce   lys   248       4.356  -1.981  32.714   0.250  0.28898884E+02
PHI    2388 nz   lys   248       4.643  -1.724  31.248  -0.300  0.33135731E+02
PHI    2389 hz1  lys   248       3.932  -1.068  30.865   0.350  0.26407248E+02
PHI    2390 hz2  lys   248       4.604  -2.622  30.725   0.350  0.32756798E+02
PHI    2391 hz3  lys   248       5.590  -1.305  31.148   0.350  0.18475758E+02
PHI    2392 c    lys   248      -0.819  -2.450  36.195   0.600  0.46423927E+02
PHI    2393 o    lys   248      -1.595  -3.172  36.771  -0.550  -.30241361E+01
PHI    2394 n    asn   249      -0.715  -1.150  36.277  -0.400  0.40847650E+00
PHI    2395 h    asn   249      -0.088  -0.646  35.683   0.250  0.46439571E+01
PHI    2396 ca   asn   249      -1.567  -0.464  37.289   0.100  0.47216129E+01
PHI    2397 cb   asn   249      -0.758   0.803  37.622   0.000  0.64576135E+01
PHI    2398 cg   asn   249      -0.967   1.536  38.895   0.550  -.26898537E+01
PHI    2399 od1  asn   249      -1.307   2.768  38.805  -0.550  -.18653208E+02
PHI    2400 nd2  asn   249      -0.771   0.919  40.087  -0.600  -.35832709E+00
PHI    2401 hd21 asn   249      -0.483  -0.038  40.108   0.300  0.41543877E+00
PHI    2402 hd22 asn   249      -0.909   1.404  40.950   0.300  0.25456241E+00
PHI    2403 c    asn   249      -2.986  -0.249  36.868   0.600  0.13950880E+02
PHI    2404 o    asn   249      -3.546   0.791  37.394  -0.550  -.17311287E+02
PHI    2405 n    arg   250      -3.612  -1.038  36.029  -0.400  0.79428549E+01
PHI    2406 h    arg   250      -3.150  -1.857  35.688   0.250  0.14914959E+02
PHI    2407 ca   arg   250      -4.971  -0.720  35.598   0.100  0.74124646E+01
PHI    2408 cb   arg   250      -5.038  -0.602  34.011   0.000  0.86720362E+01
PHI    2409 cg   arg   250      -4.143   0.563  33.532   0.000  0.75238538E+01
PHI    2410 cd   arg   250      -4.009   0.481  32.080   0.100  0.10175677E+02
PHI    2411 ne   arg   250      -3.206  -0.714  31.679  -0.400  -.15318222E+00
PHI    2412 he   arg   250      -2.834  -1.300  32.398   0.300  0.58859849E+01
PHI    2413 cz   arg   250      -2.957  -1.044  30.459   0.500  0.58720692E+02
PHI    2414 nh1  arg   250      -3.544  -0.338  29.430  -0.450  0.35306393E+02
PHI    2415 hh11 arg   250      -4.158   0.424  29.633   0.350  0.28015661E+02
PHI    2416 hh12 arg   250      -3.355  -0.588  28.480   0.350  0.29439379E+02
PHI    2417 nh2  arg   250      -2.065  -1.976  30.186  -0.450  0.25128983E+02
PHI    2418 hh21 arg   250      -1.576  -2.433  30.929   0.350  0.25290491E+02
PHI    2419 hh22 arg   250      -1.878  -2.226  29.236   0.350  0.21975843E+02
PHI    2420 c    arg   250      -6.049  -1.652  36.001   0.600  0.65241170E+01
PHI    2421 o    arg   250      -5.903  -2.849  36.214  -0.550  -.31099365E+02
PHI    2422 n    gln   251      -7.217  -1.107  36.036  -0.400  -.11952832E+02
PHI    2423 h    gln   251      -7.271  -0.132  35.825   0.250  -.39704864E+01
PHI    2424 ca   gln   251      -8.449  -1.809  36.358   0.100  0.10772617E+02
PHI    2425 cb   gln   251      -9.057  -1.080  37.571   0.000  0.86413412E+01
PHI    2426 cg   gln   251     -10.542  -1.130  37.635   0.000  0.15491601E+02
PHI    2427 cd   gln   251     -11.074  -1.360  39.027   0.550  0.36319180E+01
PHI    2428 oe1  gln   251     -11.539  -0.441  39.736  -0.550  -.55555334E+01
PHI    2429 ne2  gln   251     -10.947  -2.652  39.408  -0.600  -.14091130E+02
PHI    2430 he21 gln   251     -11.122  -2.908  40.359   0.300  -.19102617E+00
PHI    2431 he22 gln   251     -10.681  -3.361  38.755   0.300  -.90480477E+00
PHI    2432 c    gln   251      -9.341  -1.796  35.102   0.600  0.52232876E+01
PHI    2433 o    gln   251      -9.479  -0.757  34.434  -0.550  -.21695475E+02
PHI    2434 n    ile   252      -9.877  -2.964  34.819  -0.400  0.66295228E+01
PHI    2435 h    ile   252      -9.641  -3.723  35.423   0.250  0.47351336E+01
PHI    2436 ca   ile   252     -10.755  -3.229  33.735   0.100  0.10267459E+02
PHI    2437 cb   ile   252     -10.558  -4.536  32.948   0.000  0.89470091E+01
PHI    2438 cg2  ile   252     -11.769  -4.754  31.962   0.000  0.45071077E+01
PHI    2439 cg1  ile   252      -9.189  -4.531  32.160   0.000  0.27380126E+01
PHI    2440 cd1  ile   252      -8.859  -5.927  31.554   0.000  0.12883940E+01
PHI    2441 c    ile   252     -12.176  -3.229  34.410   0.600  0.15863123E+02
PHI    2442 o    ile   252     -12.360  -4.043  35.380  -0.550  -.79814172E+01
PHI    2443 n    lys   253     -13.008  -2.402  33.924  -0.400  0.39607952E+01
PHI    2444 h    lys   253     -12.740  -1.817  33.159   0.250  0.37306759E+01
PHI    2445 ca   lys   253     -14.392  -2.321  34.517   0.100  0.15915037E+02
PHI    2446 cb   lys   253     -14.709  -0.886  34.826   0.000  0.65382266E+01
PHI    2447 cg   lys   253     -13.622  -0.061  35.641   0.000  0.52348299E+01
PHI    2448 cd   lys   253     -14.290   0.532  36.842   0.000  0.16286194E+02
PHI    2449 ce   lys   253     -13.489   0.866  38.112   0.250  0.36091755E+02
PHI    2450 nz   lys   253     -14.534   0.792  39.319  -0.300  0.38185471E+02
PHI    2451 hz1  lys   253     -15.061  -0.103  39.267   0.350  0.30806118E+02
PHI    2452 hz2  lys   253     -15.198   1.590  39.252   0.350  0.32753952E+02
PHI    2453 hz3  lys   253     -14.023   0.841  40.223   0.350  0.16370960E+02
PHI    2454 c    lys   253     -15.365  -2.999  33.570   0.600  0.15168804E+02
PHI    2455 o    lys   253     -15.069  -3.026  32.385  -0.550  -.72729869E+01
PHI    2456 n    ala   254     -16.486  -3.464  34.067  -0.400  -.27235780E+01
PHI    2457 h    ala   254     -16.654  -3.346  35.045   0.250  -.10433819E+02
PHI    2458 ca   ala   254     -17.495  -4.147  33.240   0.100  0.37168518E+02
PHI    2459 cb   ala   254     -17.716  -5.549  33.667   0.000  0.86135006E+01
PHI    2460 c    ala   254     -18.796  -3.377  33.356   0.600  0.31350697E+02
PHI    2461 o    ala   254     -19.074  -2.913  34.510  -0.550  -.24745190E+02
PHI    2462 n    ser   255     -19.493  -3.303  32.260  -0.400  0.71646099E+01
PHI    2463 h    ser   255     -19.170  -3.695  31.399   0.250  -.44629169E+01
PHI    2464 ca   ser   255     -20.845  -2.569  32.397   0.100  0.29320999E+02
PHI    2465 cb   ser   255     -21.142  -1.921  31.057   0.250  0.76483297E+01
PHI    2466 og   ser   255     -21.638  -2.961  30.099  -0.650  -.11612601E+02
PHI    2467 hg   ser   255     -22.581  -2.989  30.192   0.400  0.66654854E+01
PHI    2468 c    ser   255     -21.894  -3.569  32.782   0.600  0.17018124E+02
PHI    2469 o    ser   255     -23.136  -3.213  32.852  -0.550  -.37493813E+01
PHI    2470 n    phe   256     -21.523  -4.826  33.033  -0.400  0.12111861E+02
PHI    2471 h    phe   256     -20.558  -5.086  33.021   0.250  0.83334417E+01
PHI    2472 ca   phe   256     -22.615  -5.826  33.333   0.100  0.17645493E+02
PHI    2473 cb   phe   256     -22.949  -6.632  32.032   0.000  0.76836438E+01
PHI    2474 cg   phe   256     -21.706  -7.322  31.499   0.000  0.33608127E+01
PHI    2475 cd1  phe   256     -20.765  -6.632  30.738   0.000  0.20020513E+00
PHI    2476 cd2  phe   256     -21.470  -8.658  31.789   0.000  0.29402072E+01
PHI    2477 ce1  phe   256     -19.633  -7.303  30.308   0.000  0.32960549E+00
PHI    2478 ce2  phe   256     -20.340  -9.338  31.392   0.000  0.36005762E+01
PHI    2479 cz   phe   256     -19.388  -8.617  30.606   0.000  0.12291883E+01
PHI    2480 c    phe   256     -22.223  -6.695  34.503   0.600  0.45724766E+02
PHI    2481 o    phe   256     -20.962  -6.615  34.751  -0.550  -.68154892E+02
PHI    2482 zn   zn    257      -6.191  -1.416  15.768   2.000  0.23778738E+04
   TOTAL PHISITE ENERGY (SUM (1/2)(Q)(PHI)):    0.122548E+05
 ASSIGNMENT
   Set the variable:               energy             = 0.12254809570313E+05


Main >  print elec phinrg mol1 end            ! compute and save to a user variable the

 PRINT MODULE     
 PRINTING ELECTROSTATICS
   Electrostatic Potential
          Atom    Residue         X       Y       Z       Q      Potential
   TOTAL PHISITE ENERGY (SUM (1/2)(Q)(PHI)):    0.122548E+05
 ASSIGNMENT
   Set the variable:               phinrg             = 0.12254802734375E+05


Main >                                        ! phi energy
Main >  assign e1 = $phinrg end               ! assign the phi energy to a local variabl
 ASSIGNMENT
   Set the variable:                   e1             = 0.12254802734375E+05
Main >                                        ! for later use
Main >  
Main >  !
Main >  ! Reference Runs (i.e. self energy):
Main >  !               coarse grid
Main >  !               molecule 1
Main >  !
Main >  
Main >  elec calc mol 1
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie   2.00                          ! exterior dielectric=2. This is
Elec >                                        ! the copmputation for the self
Elec >                                        ! energy
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   2                             ! boundary condition - each atom
Elec >                                        ! is a Debye-Huckel sphere
Elec >   efld    .00                          ! external electric field
Elec >   grid   1.50                          ! grid spacing
Elec >   dime   60  60  60                    ! grid dimension
Elec >   center                               ! center the grid on the molecule
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid located by   (gcen,gcor,cent,same orig,gori) :  centering on atoms
   Grid origin (range (min,max))                     :   -55.470  A        34.530  A
                                                         -47.420  A        42.580  A
                                                         -29.765  A        60.235  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     1.500  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         2
     - sum of atoms as independent DH spheres
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :     2.000
   Solvent permittivity                              :0.1146E-05 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2482
   X-coordinate of the center of geometry            :    -9.720    A
   Y-coordinate of the center of geometry            :    -1.670    A
   Z-coordinate of the center of geometry            :    15.985    A
   Net charge of the selected atoms                  :     1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        63
   Norm of the constant vector                       :0.2654E+03
   Norm of the residual vector                       :0.2464E-03
   Convergence achieved                              :0.9284E-06
Main >  
Main >  print elec phizero mol1 end           ! zero out the phisite accumulator

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phisave mol1 end           ! compute and store phi at atoms on grid

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  
Main >  !
Main >  !               fine grid
Main >  !               molecule 1
Main >  !
Main >  
Main >  elec calc mol 1
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie   2.00                          ! exterior dielectric=2. This is
Elec >                                        ! the copmputation for the self
Elec >                                        ! energy
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   4                             ! focusing - use the coarse grid to
Elec >                                        ! set the boundary potential of this
Elec >                                        ! focused grid.
Elec >   efld    .00                          ! external electric field
Elec >   grid   0.225                         ! spacing for focused grid
Elec >   dime   60  60  60                    ! grid dimension
Elec >   mcenter 2
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid origin (range (min,max))                     :   -12.531  A         0.968  A
                                                          -2.685  A        10.815  A
                                                           8.126  A        21.626  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     0.225  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         4
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :     2.000
   Solvent permittivity                              :0.1146E-05 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2482
   X-coordinate of the center of geometry            :    -9.720    A
   Y-coordinate of the center of geometry            :    -1.670    A
   Z-coordinate of the center of geometry            :    15.985    A
   Net charge of the selected atoms                  :     1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        64
   Norm of the constant vector                       :0.3842E+03
   Norm of the residual vector                       :0.2683E-03
   Convergence achieved                              :0.6985E-06
Main >  
Main >  print elec phisave mol1 end

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phinrg mol1 end

 PRINT MODULE     
 PRINTING ELECTROSTATICS
   Electrostatic Potential
          Atom    Residue         X       Y       Z       Q      Potential
   TOTAL PHISITE ENERGY (SUM (1/2)(Q)(PHI)):    0.142193E+05
 ASSIGNMENT
   Set the variable:               phinrg             = 0.14219340820313E+05


Main >  assign e2 = $phinrg end               ! save the phi "self" energy for mol1
 ASSIGNMENT
   Set the variable:                   e2             = 0.14219340820313E+05
Main >  
Main >  !
Main >  ! Regular Runs:
Main >  !               coarse grid
Main >  !               molecule 2
Main >  !
Main >  
Main >  elec calc mol 2
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie  78.00                          ! solvent  dielectric=78
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   2                             ! boundary condition - each atom
Elec >                                        ! is a Debye-Huckel sphere
Elec >   efld    .00                          ! external electric field
Elec >   grid   1.50                          ! grid spacing
Elec >   dime   60  60  60                    ! grid dimension
Elec >   center                               ! center the grid on the molecule
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid located by   (gcen,gcor,cent,same orig,gori) :  centering on atoms
   Grid origin (range (min,max))                     :   -51.419  A        38.581  A
                                                         -41.573  A        48.427  A
                                                         -30.761  A        59.239  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     1.500  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         2
     - sum of atoms as independent DH spheres
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :    78.000
   Solvent permittivity                              :0.4468E-04 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :        18
   X-coordinate of the center of geometry            :    -5.669    A
   Y-coordinate of the center of geometry            :     4.177    A
   Z-coordinate of the center of geometry            :    14.989    A
   Net charge of the selected atoms                  :    -1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        89
   Norm of the constant vector                       :0.3199E+02
   Norm of the residual vector                       :0.2677E-04
   Convergence achieved                              :0.8368E-06
Main >  
Main >  print elec phizero mol2 end           ! zero out the phisite accumulator

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phisave mol2 end           ! compute and store phi at atoms on grid

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  
Main >  !
Main >  !               fine grid
Main >  !               molecule 2
Main >  !
Main >  
Main >  elec calc mol 2
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie  78.00                          ! solvent  dielectric=78
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   4                             ! focusing - use the coarse grid to
Elec >                                        ! set the boundary potential of this
Elec >                                        ! focused grid.
Elec >   efld    .00                          ! external electric field
Elec >   grid   0.225                         ! spacing for focused grid
Elec >   dime   60  60  60                    ! grid dimension
Elec >   mcenter 2
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid origin (range (min,max))                     :   -12.531  A         0.968  A
                                                          -2.685  A        10.815  A
                                                           8.126  A        21.626  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     0.225  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         4
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :    78.000
   Solvent permittivity                              :0.4468E-04 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :        18
   X-coordinate of the center of geometry            :    -5.669    A
   Y-coordinate of the center of geometry            :     4.177    A
   Z-coordinate of the center of geometry            :    14.989    A
   Net charge of the selected atoms                  :    -1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        70
   Norm of the constant vector                       :0.2234E+03
   Norm of the residual vector                       :0.1856E-03
   Convergence achieved                              :0.8311E-06
Main >  
Main >  print elec phisave mol2 end

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phinrg mol2 end

 PRINT MODULE     
 PRINTING ELECTROSTATICS
   Electrostatic Potential
          Atom    Residue         X       Y       Z       Q      Potential
   TOTAL PHISITE ENERGY (SUM (1/2)(Q)(PHI)):    0.124576E+04
 ASSIGNMENT
   Set the variable:               phinrg             = 0.12457587890625E+04


Main >  assign e3 = $phinrg end
 ASSIGNMENT
   Set the variable:                   e3             = 0.12457587890625E+04
Main >  
Main >  !
Main >  ! Reference Runs:
Main >  !               coarse grid
Main >  !               molecule 2
Main >  !
Main >  
Main >  elec calc mol 2
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie   2.00                          ! exterior dielectric=2. This is
Elec >                                        ! the copmputation for the self
Elec >                                        ! energy
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   2                             ! boundary condition - each atom
Elec >                                        ! is a Debye-Huckel sphere
Elec >   efld    .00                          ! external electric field
Elec >   grid   1.50                          ! grid spacing
Elec >   dime   60  60  60                    ! grid dimension
Elec >   center                               ! center the grid on the molecule
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid located by   (gcen,gcor,cent,same orig,gori) :  centering on atoms
   Grid origin (range (min,max))                     :   -51.419  A        38.581  A
                                                         -41.573  A        48.427  A
                                                         -30.761  A        59.239  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     1.500  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         2
     - sum of atoms as independent DH spheres
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :     2.000
   Solvent permittivity                              :0.1146E-05 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :        18
   X-coordinate of the center of geometry            :    -5.669    A
   Y-coordinate of the center of geometry            :     4.177    A
   Z-coordinate of the center of geometry            :    14.989    A
   Net charge of the selected atoms                  :    -1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        67
   Norm of the constant vector                       :0.3199E+02
   Norm of the residual vector                       :0.2814E-04
   Convergence achieved                              :0.8798E-06
Main >  
Main >  print elec phizero mol2 end           ! zero out the phisite accumulator

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phisave mol2 end           ! compute and store phi at atoms on grid

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  
Main >  !
Main >  !               fine grid
Main >  !               molecule 2
Main >  !
Main >  
Main >  elec calc mol 2
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie   2.00                          ! exterior dielectric=2. This is
Elec >                                        ! the copmputation for the self
Elec >                                        ! energy
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   4                             ! focusing - use the coarse grid to
Elec >                                        ! set the boundary potential of this
Elec >                                        ! focused grid.
Elec >   efld    .00                          ! external electric field
Elec >   grid   0.225                         ! spacing for focused grid
Elec >   dime   60  60  60                    ! grid dimension
Elec >   mcenter 2
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid origin (range (min,max))                     :   -12.531  A         0.968  A
                                                          -2.685  A        10.815  A
                                                           8.126  A        21.626  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     0.225  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         4
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :     2.000
   Solvent permittivity                              :0.1146E-05 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :        18
   X-coordinate of the center of geometry            :    -5.669    A
   Y-coordinate of the center of geometry            :     4.177    A
   Z-coordinate of the center of geometry            :    14.989    A
   Net charge of the selected atoms                  :    -1.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        63
   Norm of the constant vector                       :0.2249E+03
   Norm of the residual vector                       :0.1934E-03
   Convergence achieved                              :0.8597E-06
Main >  
Main >  print elec phisave mol2 end

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phinrg mol2 end

 PRINT MODULE     
 PRINTING ELECTROSTATICS
   Electrostatic Potential
          Atom    Residue         X       Y       Z       Q      Potential
   TOTAL PHISITE ENERGY (SUM (1/2)(Q)(PHI)):    0.128679E+04
 ASSIGNMENT
   Set the variable:               phinrg             = 0.12867947998047E+04


Main >  assign e4 = $phinrg end
 ASSIGNMENT
   Set the variable:                   e4             = 0.12867947998047E+04
Main >  
Main >  !
Main >  ! Regular Runs:
Main >  !               coarse grid
Main >  !               molecule complex
Main >  !
Main >  
Main >  elec calc all
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie  78.00                          ! solvent  dielectric=78
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   2                             ! boundary condition - each atom
Elec >                                        ! is a Debye-Huckel sphere
Elec >   efld    .00                          ! external electric field
Elec >   grid   1.50                          ! grid spacing
Elec >   dime   60  60  60                    ! grid dimension
Elec >   center                               ! center the grid on the molecule
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid located by   (gcen,gcor,cent,same orig,gori) :  centering on atoms
   Grid origin (range (min,max))                     :   -55.441  A        34.559  A
                                                         -47.378  A        42.622  A
                                                         -29.772  A        60.228  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     1.500  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         2
     - sum of atoms as independent DH spheres
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :    78.000
   Solvent permittivity                              :0.4468E-04 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2500
   X-coordinate of the center of geometry            :    -9.691    A
   Y-coordinate of the center of geometry            :    -1.628    A
   Z-coordinate of the center of geometry            :    15.978    A
   Net charge of the selected atoms                  :     0.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        99
   Norm of the constant vector                       :0.2542E+03
   Norm of the residual vector                       :0.2447E-03
   Convergence achieved                              :0.9625E-06
Main >  
Main >  print elec phizero all end            ! zero out the phisite accumulator

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phisave all end            ! compute and store phi at atoms on grid

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  
Main >  !
Main >  !               fine grid
Main >  !               molecule complex
Main >  !
Main >  
Main >  elec calc all
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie  78.00                          ! solvent  dielectric=78
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   4                             ! focusing - use the coarse grid to
Elec >                                        ! set the boundary potential of this
Elec >                                        ! focused grid.
Elec >   efld    .00                          ! external electric field
Elec >   grid   0.225                         ! spacing for focused grid
Elec >   dime   60  60  60                    ! grid dimension
Elec >   mcenter 2
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid origin (range (min,max))                     :   -12.531  A         0.968  A
                                                          -2.685  A        10.815  A
                                                           8.126  A        21.626  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     0.225  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         4
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :    78.000
   Solvent permittivity                              :0.4468E-04 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2500
   X-coordinate of the center of geometry            :    -9.691    A
   Y-coordinate of the center of geometry            :    -1.628    A
   Z-coordinate of the center of geometry            :    15.978    A
   Net charge of the selected atoms                  :     0.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :       110
   Norm of the constant vector                       :0.3735E+03
   Norm of the residual vector                       :0.3581E-03
   Convergence achieved                              :0.9588E-06
Main >  
Main >  print elec phisave all end

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phinrg all end

 PRINT MODULE     
 PRINTING ELECTROSTATICS
   Electrostatic Potential
          Atom    Residue         X       Y       Z       Q      Potential
   TOTAL PHISITE ENERGY (SUM (1/2)(Q)(PHI)):    0.134722E+05
 ASSIGNMENT
   Set the variable:               phinrg             = 0.13472217773438E+05


Main >  assign e5 = $phinrg end
 ASSIGNMENT
   Set the variable:                   e5             = 0.13472217773438E+05
Main >  
Main >  !
Main >  ! Reference Runs:
Main >  !               coarse grid
Main >  !               molecule complex
Main >  !
Main >  
Main >  elec calc  all
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie   2.00                          ! exterior dielectric=2. This is
Elec >                                        ! the copmputation for the self
Elec >                                        ! energy
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   2                             ! boundary condition - each atom
Elec >                                        ! is a Debye-Huckel sphere
Elec >   efld    .00                          ! external electric field
Elec >   grid   1.50                          ! grid spacing
Elec >   dime   60  60  60                    ! grid dimension
Elec >   center                               ! center the grid on the molecule
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid located by   (gcen,gcor,cent,same orig,gori) :  centering on atoms
   Grid origin (range (min,max))                     :   -55.441  A        34.559  A
                                                         -47.378  A        42.622  A
                                                         -29.772  A        60.228  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     1.500  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         2
     - sum of atoms as independent DH spheres
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :     2.000
   Solvent permittivity                              :0.1146E-05 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2500
   X-coordinate of the center of geometry            :    -9.691    A
   Y-coordinate of the center of geometry            :    -1.628    A
   Z-coordinate of the center of geometry            :    15.978    A
   Net charge of the selected atoms                  :     0.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        63
   Norm of the constant vector                       :0.2542E+03
   Norm of the residual vector                       :0.2502E-03
   Convergence achieved                              :0.9843E-06
Main >  
Main >  print elec phizero all end            ! zero out the phisite accumulator

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phisave all end            ! compute and store phi at atoms on grid

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  
Main >  !
Main >  !               fine grid
Main >  !               molecule complex
Main >  !
Main >  
Main >  elec calc all
Elec >   pdie   2.00                          ! internal dielectric=2
Elec >   sdie   2.00                          ! exterior dielectric=2. This is
Elec >                                        ! the copmputation for the self
Elec >                                        ! energy
Elec >   temp 300.00                          ! temperature in K
Elec >   ions    .00                          ! ionic strength
Elec >   bcfl   4                             ! focusing - use the coarse grid to
Elec >                                        ! set the boundary potential of this
Elec >                                        ! focused grid.
Elec >   efld    .00                          ! external electric field
Elec >   grid   0.225                         ! spacing for focused grid
Elec >   dime   60  60  60                    ! grid dimension
Elec >   mcenter 2
Elec >   maxit 200                            ! maximum # of iteration for FDPBE
Elec >  end
 ELECTROSTATIC MODULE
 GRID CONSTANTS
   Grid dimensioned to                   (same dime) :         user values
   Grid dimensions                      (dime # # #) : 60, 60, 60
   Grid origin (range (min,max))                     :   -12.531  A         0.968  A
                                                          -2.685  A        10.815  A
                                                           8.126  A        21.626  A
   Grid spacing set to                   (same dime) :         user values
   Grid spacing                           (grid #.#) :     0.225  A
   Do analytic potential calculation     (no/analyt) :         F
 DIELECTRIC MAP DEFINITIONS
 Use probe-accessible surface definition (newmap, & nnewmap):F F
   Utilize dielectric boundary smoothing (no/smooth) :         T
 BOUNDARY CONDITION CONSTANTS
   Boundary condition flag                  (bcfl #) :         4
 ENVIRONMENTAL CONSTANTS
   Interior dielectric constant           (pdie #.#) :     2.000
   Interior permittivity                             :0.1146E-05 e^2ps^2/amuA^3
   Solvent dielectric constant            (sdie #.#) :     2.000
   Solvent permittivity                              :0.1146E-05 e^2ps^2/amuA^3
   Temperature                            (temp #.#) :   300.000  K
   Ionic strength                         (ions #.#) :     0.000  mM
   Concentration  of monovalent cations (ions1p #.#) :     0.000  mM
   Concentration  of   divalent cations (ions2p #.#) :     0.000  mM
   Concentration  of  trivalent cations (ions3p #.#) :     0.000  mM
   Concentration  of monovalent anions  (ions1n #.#) :     0.000  mM
   Concentration  of   divalent anions  (ions2n #.#) :     0.000  mM
   Concentration  of  trivalent anions  (ions3n #.#) :     0.000  mM
   Debye-Huckel parameter                            :     0.000  1/A
 ATOM SELECTION
   Number of atoms selected                (mol#...) :      2500
   X-coordinate of the center of geometry            :    -9.691    A
   Y-coordinate of the center of geometry            :    -1.628    A
   Z-coordinate of the center of geometry            :    15.978    A
   Net charge of the selected atoms                  :     0.000    e
   Effective radius of the selected atoms            :     1.800    A
 ITERATION VALUES
   Maximum iterations                       (maxi #) :       200
   Convergence criteria                   (conv #.#) :0.1000E-05
   Linear equation solver flag              (solv #) :         1
     - incomplete Cholesky preconditioned conjugate gradient
 PERFORMING SETUP AND CALCULATION
 ITERATION SUMMARY
   Iterations required                               :        64
   Norm of the constant vector                       :0.2816E+03
   Norm of the residual vector                       :0.2385E-03
   Convergence achieved                              :0.8471E-06
Main >  
Main >  print elec phisave all end

 PRINT MODULE     
 PRINTING ELECTROSTATICS


Main >  print elec phinrg all end

 PRINT MODULE     
 PRINTING ELECTROSTATICS
   Electrostatic Potential
          Atom    Residue         X       Y       Z       Q      Potential
   TOTAL PHISITE ENERGY (SUM (1/2)(Q)(PHI)):    0.153666E+05
 ASSIGNMENT
   Set the variable:               phinrg             = 0.15366570312500E+05


Main >  assign e6 = $phinrg end
 ASSIGNMENT
   Set the variable:                   e6             = 0.15366570312500E+05
Main >  
Main >  print mcou 1 2 end                    ! print the electrostatic interaction

 PRINT MODULE     
 PRINTING MOLECULE-MOLECULE COULOMBIC INTERACTION
   Mols, energy (kcal/mole):    1    2    -.127931E+03
 ASSIGNMENT
   Set the variable:                 mcou             = -.12793097336442E+03


Main >                                        ! between mol1 and mol2
Main >  assign ecoul12 = $mcou end
 ASSIGNMENT
   Set the variable:              ecoul12             = -.12793097336442E+03
Main >  
Main >  !
Main >  ! Now compute the solvation energies of mol1, mol2, the mol1-mol2
Main >  ! complex and the coulombic interaction metween mol1 and mol2. The
Main >  ! binding energy is then: esolv12 - (esolv1 + esolv2) + ecoul12.
Main >  
Main >  assign
Assign >    esolv1 = $e1 $e2 -
Eval >  end
 ASSIGNMENT
   Set the variable:               esolv1             = -.19645380859375E+04
Main >  assign
Assign >    esolv2 = $e3 $e4 -
Eval >  end
 ASSIGNMENT
   Set the variable:               esolv2             = -.41036010742188E+02
Main >  assign
Assign >    esolv12 = $e5 $e6 -
Eval >  end
 ASSIGNMENT
   Set the variable:              esolv12             = -.18943525390625E+04
Main >  assign
Assign >    ebind = $esolv12
Eval >            $esolv1 -
Eval >            $esolv2 -
Eval >            $ecoul12 +
Eval >  end
 ASSIGNMENT
   Set the variable:                ebind             = -.16709415747235E+02
Main >  
Main >  !
Main >  !* The above test should yield:                         *
Main >  !* molecule-molecule electrostatic interaction =        *
Main >  !*   -16.72 kcal/mol                                    *
Main >  !
Main >  ! The time on an SGI (Indigo2 R4400 200 MHz) should be
Main >  ! approximately:  952 seconds for a 60^3 grid
Main >  ! and approximately:  1286 seconds for a 65^3 grid
Main >  !
Main >  
Main >  stop
 UHBD termination
   date/time               : 29-Sep- 100  10:30:49 CST
   total CPU seconds       :    259.600
 total usr/sys CPU seconds :    259.340/     0.260