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HEADER    PLANT SEED PROTEIN                      30-APR-81   1CRN      1CRND  1
COMPND    CRAMBIN                                                       1CRN   4
SOURCE    ABYSSINIAN CABBAGE (CRAMBE ABYSSINICA) SEED                   1CRN   5
AUTHOR    W.A.HENDRICKSON,M.M.TEETER                                    1CRN   6
REVDAT   5   16-APR-87 1CRND   1       HEADER                           1CRND  2
REVDAT   4   04-MAR-85 1CRNC   1       REMARK                           1CRNC  1
REVDAT   3   30-SEP-83 1CRNB   1       REVDAT                           1CRNB  1
REVDAT   2   03-DEC-81 1CRNA   1       SHEET                            1CRNB  2
REVDAT   1   28-JUL-81 1CRN    0                                        1CRNB  3
REMARK   1                                                              1CRN   7
REMARK   1 REFERENCE 1                                                  1CRNC  2
REMARK   1  AUTH   M.M.TEETER                                           1CRNC  3
REMARK   1  TITL   WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC   1CRNC  4
REMARK   1  TITL 2 RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN     1CRNC  5
REMARK   1  TITL 3 CRYSTALS OF CRAMBIN                                  1CRNC  6
REMARK   1  REF    PROC.NAT.ACAD.SCI.USA         V.  81  6014 1984      1CRNC  7
REMARK   1  REFN   ASTM PNASA6  US ISSN 0027-8424                  040  1CRNC  8
REMARK   1 REFERENCE 2                                                  1CRNC  9
REMARK   1  AUTH   W.A.HENDRICKSON,M.M.TEETER                           1CRN   9
REMARK   1  TITL   STRUCTURE OF THE HYDROPHOBIC PROTEIN CRAMBIN         1CRN  10
REMARK   1  TITL 2 DETERMINED DIRECTLY FROM THE ANOMALOUS SCATTERING    1CRN  11
REMARK   1  TITL 3 OF SULPHUR                                           1CRN  12
REMARK   1  REF    NATURE                        V.  290  107 1981      1CRN  13
REMARK   1  REFN   ASTM NATUAS  UK ISSN 0028-0836                  006  1CRN  14
REMARK   1 REFERENCE 3                                                  1CRNC 10
REMARK   1  AUTH   M.M.TEETER,W.A.HENDRICKSON                           1CRN  16
REMARK   1  TITL   HIGHLY ORDERED CRYSTALS OF THE PLANT SEED PROTEIN    1CRN  17
REMARK   1  TITL 2 CRAMBIN                                              1CRN  18
REMARK   1  REF    J.MOL.BIOL.                   V.  127  219 1979      1CRN  19
REMARK   1  REFN   ASTM JMOBAK  UK ISSN 0022-2836                  070  1CRN  20
REMARK   2                                                              1CRN  21
REMARK   2 RESOLUTION. 1.5 ANGSTROMS.                                   1CRN  22
REMARK   3                                                              1CRN  23
REMARK   3 REFINEMENT. RESTRAINED LEAST SQUARES (HENDRICKSON,W.A.,      1CRN  24
REMARK   3  KONNERT,J.H. COMPUTING IN CRYSTALLOGRAPHY, EDS.DIAMOND,R.,  1CRN  25
REMARK   3  RAMASESHAN,S.,VENKATESAN,K. (1980)).                        1CRN  26
REMARK   4                                                              1CRN  27
REMARK   4 CONFORMATIONAL HETEROGENEITY EXISTS AT ILE 7 AND ILE 25      1CRN  28
REMARK   4 WHERE CD1 ATOMS TAKE EITHER OF TWO STAGGERED POSSIBILITIES.  1CRN  29
REMARK   4 COMPOSITIONAL HETEROGENEITY ALSO EXISTS AT POSITIONS 22 AND  1CRN  30
REMARK   4 25.  REFINEMENT PARAMETERS SUGGEST THAT RESIDUE 22 IS ABOUT  1CRN  31
REMARK   4 60/40 PRO/SER AND THAT RESIDUE 25 IS ABOUT 60/40 ILE/LEU.    1CRN  32
REMARK   4 THE HETEROGENEITY AT RESIDUE 22 APPARENTLY CAUSES A          1CRN  33
REMARK   4 DISORDER IN TYR 29 - THE REFINED POSITION OF ITS OH ATOM     1CRN  34
REMARK   4 MAKES AN IMPOSSIBLY SHORT CONTACT OF 2.6 ANGSTROMS WITH      1CRN  35
REMARK   4 ATOM CD OF PRO 22 ON A SCREW-RELATED MOLECULE.  THE          1CRN  36
REMARK   4 DEPOSITED COORDINATES ARE ONLY FOR THE MAJOR CONTRIBUTOR AT  1CRN  37
REMARK   4 EACH SITE (PRO 22 AND ILE 25).  DEPOSITION OF THE MODEL OF   1CRN  38
REMARK   4 DISORDER AND SOLVENT STRUCTURE IS DEFERRED UNTIL HIGHER      1CRN  39
REMARK   4 RESOLUTION REFINEMENT.  THE R-FACTOR FOR THE COMPLETE MODEL  1CRN  40
REMARK   4 INCLUDING HETEROGENEITY AND SOLVENT IS 0.114 ISOTROPIC AND   1CRN  41
REMARK   4 0.104 ANISOTROPIC AGAINST ALL DATA IN THE 10.0 TO 1.5        1CRN  42
REMARK   4 ANGSTROM SHELL.                                              1CRN  43
REMARK   5                                                              1CRN  44
REMARK   5 THE SECONDARY STRUCTURE SPECIFICATIONS ARE THOSE DEFINED     1CRN  45
REMARK   5 IN REFERENCE 1 ABOVE AND DEPEND ON PARTICULAR DEFINITIONS    1CRN  46
REMARK   5 THAT MAY AFFECT THE DETERMINATION OF END POINTS.  PLEASE     1CRN  47
REMARK   5 CONSULT THE PRIMARY REFERENCE AND EXAMINE STRUCTURAL         1CRN  48
REMARK   5 DETAILS SUCH AS HYDROGEN BONDING AND CONFORMATION ANGLES     1CRN  49
REMARK   5 WHEN MAKING USE OF THE SPECIFICATIONS.                       1CRN  50
REMARK   6                                                              1CRNA  1
REMARK   6 CORRECTION. CORRECT RESIDUE NUMBER ON STRAND 1 OF SHEET S1.  1CRNA  2
REMARK   6  03-DEC-81.                                                  1CRNA  3
REMARK   7                                                              1CRNB  4
REMARK   7 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83.                1CRNB  5
REMARK   8                                                              1CRNC 11
REMARK   8 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND        1CRNC 12
REMARK   8  RENUMBER THE OTHERS.  04-MAR-85.                            1CRNC 13
REMARK   9                                                              1CRND  3
REMARK   9 CORRECTION. CHANGE DEPOSITION DATE FROM 31-APR-81 TO         1CRND  4
REMARK   9  30-APR-81.  16-APR-87.                                      1CRND  5
SEQRES   1     46  THR THR CYS CYS PRO SER ILE VAL ALA ARG SER ASN PHE  1CRN  51
SEQRES   2     46  ASN VAL CYS ARG LEU PRO GLY THR PRO GLU ALA ILE CYS  1CRN  52
SEQRES   3     46  ALA THR TYR THR GLY CYS ILE ILE ILE PRO GLY ALA THR  1CRN  53
SEQRES   4     46  CYS PRO GLY ASP TYR ALA ASN                          1CRN  54
HELIX    1  H1 ILE      7  PRO     19  1 3/10 CONFORMATION RES 17,19    1CRN  55
HELIX    2  H2 GLU     23  THR     30  1 DISTORTED 3/10 AT RES 30       1CRN  56
SHEET    1  S1 2 THR     1  CYS     4  0                                1CRNA  4
SHEET    2  S1 2 CYS    32  ILE    35 -1                                1CRN  58
TURN     1  T1 PRO    41  TYR    44                                     1CRN  59
SSBOND   1 CYS      3    CYS     40                                     1CRN  60
SSBOND   2 CYS      4    CYS     32                                     1CRN  61
SSBOND   3 CYS     16    CYS     26                                     1CRN  62
CRYST1   40.960   18.650   22.520  90.00  90.77  90.00 P 21          2  1CRN  63
ORIGX1      1.000000  0.000000  0.000000        0.00000                 1CRN  64
ORIGX2      0.000000  1.000000  0.000000        0.00000                 1CRN  65
ORIGX3      0.000000  0.000000  1.000000        0.00000                 1CRN  66
SCALE1       .024414  0.000000  -.000328        0.00000                 1CRN  67
SCALE2      0.000000   .053619  0.000000        0.00000                 1CRN  68
SCALE3      0.000000  0.000000   .044409        0.00000                 1CRN  69
ATOM      1  N   THR     1      17.047  14.099   3.625  1.00 13.79      1CRN  70
ATOM      2  CA  THR     1      16.967  12.784   4.338  1.00 10.80      1CRN  71
ATOM      3  C   THR     1      15.685  12.755   5.133  1.00  9.19      1CRN  72
ATOM      4  O   THR     1      15.268  13.825   5.594  1.00  9.85      1CRN  73
ATOM      5  CB  THR     1      18.170  12.703   5.337  1.00 13.02      1CRN  74
ATOM      6  OG1 THR     1      19.334  12.829   4.463  1.00 15.06      1CRN  75
ATOM      7  CG2 THR     1      18.150  11.546   6.304  1.00 14.23      1CRN  76
ATOM      8  N   THR     2      15.115  11.555   5.265  1.00  7.81      1CRN  77
ATOM      9  CA  THR     2      13.856  11.469   6.066  1.00  8.31      1CRN  78
ATOM     10  C   THR     2      14.164  10.785   7.379  1.00  5.80      1CRN  79
ATOM     11  O   THR     2      14.993   9.862   7.443  1.00  6.94      1CRN  80
ATOM     12  CB  THR     2      12.732  10.711   5.261  1.00 10.32      1CRN  81
ATOM     13  OG1 THR     2      13.308   9.439   4.926  1.00 12.81      1CRN  82
ATOM     14  CG2 THR     2      12.484  11.442   3.895  1.00 11.90      1CRN  83
ATOM     15  N   CYS     3      13.488  11.241   8.417  1.00  5.24      1CRN  84
ATOM     16  CA  CYS     3      13.660  10.707   9.787  1.00  5.39      1CRN  85
ATOM     17  C   CYS     3      12.269  10.431  10.323  1.00  4.45      1CRN  86
ATOM     18  O   CYS     3      11.393  11.308  10.185  1.00  6.54      1CRN  87
ATOM     19  CB  CYS     3      14.368  11.748  10.691  1.00  5.99      1CRN  88
ATOM     20  SG  CYS     3      15.885  12.426  10.016  1.00  7.01      1CRN  89
ATOM     21  N   CYS     4      12.019   9.272  10.928  1.00  3.90      1CRN  90
ATOM     22  CA  CYS     4      10.646   8.991  11.408  1.00  4.24      1CRN  91
ATOM     23  C   CYS     4      10.654   8.793  12.919  1.00  3.72      1CRN  92
ATOM     24  O   CYS     4      11.659   8.296  13.491  1.00  5.30      1CRN  93
ATOM     25  CB  CYS     4      10.057   7.752  10.682  1.00  4.41      1CRN  94
ATOM     26  SG  CYS     4       9.837   8.018   8.904  1.00  4.72      1CRN  95
ATOM     27  N   PRO     5       9.561   9.108  13.563  1.00  3.96      1CRN  96
ATOM     28  CA  PRO     5       9.448   9.034  15.012  1.00  4.25      1CRN  97
ATOM     29  C   PRO     5       9.288   7.670  15.606  1.00  4.96      1CRN  98
ATOM     30  O   PRO     5       9.490   7.519  16.819  1.00  7.44      1CRN  99
ATOM     31  CB  PRO     5       8.230   9.957  15.345  1.00  5.11      1CRN 100
ATOM     32  CG  PRO     5       7.338   9.786  14.114  1.00  5.24      1CRN 101
ATOM     33  CD  PRO     5       8.366   9.804  12.958  1.00  5.20      1CRN 102
ATOM     34  N   SER     6       8.875   6.686  14.796  1.00  4.83      1CRN 103
ATOM     35  CA  SER     6       8.673   5.314  15.279  1.00  4.45      1CRN 104
ATOM     36  C   SER     6       8.753   4.376  14.083  1.00  4.99      1CRN 105
ATOM     37  O   SER     6       8.726   4.858  12.923  1.00  4.61      1CRN 106
ATOM     38  CB  SER     6       7.340   5.121  15.996  1.00  5.05      1CRN 107
ATOM     39  OG  SER     6       6.274   5.220  15.031  1.00  6.39      1CRN 108
ATOM     40  N   ILE     7       8.881   3.075  14.358  1.00  4.94      1CRN 109
ATOM     41  CA  ILE     7       8.912   2.083  13.258  1.00  6.33      1CRN 110
ATOM     42  C   ILE     7       7.581   2.090  12.506  1.00  5.32      1CRN 111
ATOM     43  O   ILE     7       7.670   2.031  11.245  1.00  6.85      1CRN 112
ATOM     44  CB  ILE     7       9.207    .677  13.924  1.00  8.43      1CRN 113
ATOM     45  CG1 ILE     7      10.714    .702  14.312  1.00  9.78      1CRN 114
ATOM     46  CG2 ILE     7       8.811   -.477  12.969  1.00 11.70      1CRN 115
ATOM     47  CD1 ILE     7      11.185   -.516  15.142  1.00  9.92      1CRN 116
ATOM     48  N   VAL     8       6.458   2.162  13.159  1.00  5.02      1CRN 117
ATOM     49  CA  VAL     8       5.145   2.209  12.453  1.00  6.93      1CRN 118
ATOM     50  C   VAL     8       5.115   3.379  11.461  1.00  5.39      1CRN 119
ATOM     51  O   VAL     8       4.664   3.268  10.343  1.00  6.30      1CRN 120
ATOM     52  CB  VAL     8       3.995   2.354  13.478  1.00  9.64      1CRN 121
ATOM     53  CG1 VAL     8       2.716   2.891  12.869  1.00 13.85      1CRN 122
ATOM     54  CG2 VAL     8       3.758   1.032  14.208  1.00 11.97      1CRN 123
ATOM     55  N   ALA     9       5.606   4.546  11.941  1.00  3.73      1CRN 124
ATOM     56  CA  ALA     9       5.598   5.767  11.082  1.00  3.56      1CRN 125
ATOM     57  C   ALA     9       6.441   5.527   9.850  1.00  4.13      1CRN 126
ATOM     58  O   ALA     9       6.052   5.933   8.744  1.00  4.36      1CRN 127
ATOM     59  CB  ALA     9       6.022   6.977  11.891  1.00  4.80      1CRN 128
ATOM     60  N   ARG    10       7.647   4.909  10.005  1.00  3.73      1CRN 129
ATOM     61  CA  ARG    10       8.496   4.609   8.837  1.00  3.38      1CRN 130
ATOM     62  C   ARG    10       7.798   3.609   7.876  1.00  3.47      1CRN 131
ATOM     63  O   ARG    10       7.878   3.778   6.651  1.00  4.67      1CRN 132
ATOM     64  CB  ARG    10       9.847   4.020   9.305  1.00  3.95      1CRN 133
ATOM     65  CG  ARG    10      10.752   3.607   8.149  1.00  4.55      1CRN 134
ATOM     66  CD  ARG    10      11.226   4.699   7.244  1.00  5.89      1CRN 135
ATOM     67  NE  ARG    10      12.143   5.571   8.035  1.00  6.20      1CRN 136
ATOM     68  CZ  ARG    10      12.758   6.609   7.443  1.00  7.52      1CRN 137
ATOM     69  NH1 ARG    10      12.539   6.932   6.158  1.00 10.68      1CRN 138
ATOM     70  NH2 ARG    10      13.601   7.322   8.202  1.00  9.48      1CRN 139
ATOM     71  N   SER    11       7.186   2.582   8.445  1.00  5.19      1CRN 140
ATOM     72  CA  SER    11       6.500   1.584   7.565  1.00  4.60      1CRN 141
ATOM     73  C   SER    11       5.382   2.313   6.773  1.00  4.84      1CRN 142
ATOM     74  O   SER    11       5.213   2.016   5.557  1.00  5.84      1CRN 143
ATOM     75  CB  SER    11       5.908    .462   8.400  1.00  5.91      1CRN 144
ATOM     76  OG  SER    11       6.990   -.272   9.012  1.00  8.38      1CRN 145
ATOM     77  N   ASN    12       4.648   3.182   7.446  1.00  3.54      1CRN 146
ATOM     78  CA  ASN    12       3.545   3.935   6.751  1.00  4.57      1CRN 147
ATOM     79  C   ASN    12       4.107   4.851   5.691  1.00  4.14      1CRN 148
ATOM     80  O   ASN    12       3.536   5.001   4.617  1.00  5.52      1CRN 149
ATOM     81  CB  ASN    12       2.663   4.677   7.748  1.00  6.42      1CRN 150
ATOM     82  CG  ASN    12       1.802   3.735   8.610  1.00  8.25      1CRN 151
ATOM     83  OD1 ASN    12       1.567   2.613   8.165  1.00 12.72      1CRN 152
ATOM     84  ND2 ASN    12       1.394   4.252   9.767  1.00  9.92      1CRN 153
ATOM     85  N   PHE    13       5.259   5.498   6.005  1.00  3.43      1CRN 154
ATOM     86  CA  PHE    13       5.929   6.358   5.055  1.00  3.49      1CRN 155
ATOM     87  C   PHE    13       6.304   5.578   3.799  1.00  3.40      1CRN 156
ATOM     88  O   PHE    13       6.136   6.072   2.653  1.00  4.07      1CRN 157
ATOM     89  CB  PHE    13       7.183   6.994   5.754  1.00  5.48      1CRN 158
ATOM     90  CG  PHE    13       7.884   8.006   4.883  1.00  5.57      1CRN 159
ATOM     91  CD1 PHE    13       8.906   7.586   4.027  1.00  6.99      1CRN 160
ATOM     92  CD2 PHE    13       7.532   9.373   4.983  1.00  6.52      1CRN 161
ATOM     93  CE1 PHE    13       9.560   8.539   3.194  1.00  8.20      1CRN 162
ATOM     94  CE2 PHE    13       8.176  10.281   4.145  1.00  6.34      1CRN 163
ATOM     95  CZ  PHE    13       9.141   9.845   3.292  1.00  6.84      1CRN 164
ATOM     96  N   ASN    14       6.900   4.390   3.989  1.00  3.64      1CRN 165
ATOM     97  CA  ASN    14       7.331   3.607   2.791  1.00  4.31      1CRN 166
ATOM     98  C   ASN    14       6.116   3.210   1.915  1.00  3.98      1CRN 167
ATOM     99  O   ASN    14       6.240   3.144    .684  1.00  6.22      1CRN 168
ATOM    100  CB  ASN    14       8.145   2.404   3.240  1.00  5.81      1CRN 169
ATOM    101  CG  ASN    14       9.555   2.856   3.730  1.00  6.82      1CRN 170
ATOM    102  OD1 ASN    14      10.013   3.895   3.323  1.00  9.43      1CRN 171
ATOM    103  ND2 ASN    14      10.120   1.956   4.539  1.00  8.21      1CRN 172
ATOM    104  N   VAL    15       4.993   2.927   2.571  1.00  3.76      1CRN 173
ATOM    105  CA  VAL    15       3.782   2.599   1.742  1.00  3.98      1CRN 174
ATOM    106  C   VAL    15       3.296   3.871   1.004  1.00  3.80      1CRN 175
ATOM    107  O   VAL    15       2.947   3.817   -.189  1.00  4.85      1CRN 176
ATOM    108  CB  VAL    15       2.698   1.953   2.608  1.00  4.71      1CRN 177
ATOM    109  CG1 VAL    15       1.384   1.826   1.806  1.00  6.67      1CRN 178
ATOM    110  CG2 VAL    15       3.174    .533   3.005  1.00  6.26      1CRN 179
ATOM    111  N   CYS    16       3.321   4.987   1.720  1.00  3.79      1CRN 180
ATOM    112  CA  CYS    16       2.890   6.285   1.126  1.00  3.54      1CRN 181
ATOM    113  C   CYS    16       3.687   6.597   -.111  1.00  3.48      1CRN 182
ATOM    114  O   CYS    16       3.200   7.147  -1.103  1.00  4.63      1CRN 183
ATOM    115  CB  CYS    16       3.039   7.369   2.240  1.00  4.58      1CRN 184
ATOM    116  SG  CYS    16       2.559   9.014   1.649  1.00  5.66      1CRN 185
ATOM    117  N   ARG    17       4.997   6.227   -.100  1.00  3.99      1CRN 186
ATOM    118  CA  ARG    17       5.895   6.489  -1.213  1.00  3.83      1CRN 187
ATOM    119  C   ARG    17       5.738   5.560  -2.409  1.00  3.79      1CRN 188
ATOM    120  O   ARG    17       6.228   5.901  -3.507  1.00  5.39      1CRN 189
ATOM    121  CB  ARG    17       7.370   6.507   -.731  1.00  4.11      1CRN 190
ATOM    122  CG  ARG    17       7.717   7.687    .206  1.00  4.69      1CRN 191
ATOM    123  CD  ARG    17       7.949   8.947   -.615  1.00  5.10      1CRN 192
ATOM    124  NE  ARG    17       9.212   8.856  -1.337  1.00  4.71      1CRN 193
ATOM    125  CZ  ARG    17       9.537   9.533  -2.431  1.00  5.28      1CRN 194
ATOM    126  NH1 ARG    17       8.659  10.350  -3.032  1.00  6.67      1CRN 195
ATOM    127  NH2 ARG    17      10.793   9.491  -2.899  1.00  6.41      1CRN 196
ATOM    128  N   LEU    18       5.051   4.411  -2.204  1.00  4.70      1CRN 197
ATOM    129  CA  LEU    18       4.933   3.431  -3.326  1.00  5.46      1CRN 198
ATOM    130  C   LEU    18       4.397   4.014  -4.620  1.00  5.13      1CRN 199
ATOM    131  O   LEU    18       4.988   3.755  -5.687  1.00  5.55      1CRN 200
ATOM    132  CB  LEU    18       4.196   2.184  -2.863  1.00  6.47      1CRN 201
ATOM    133  CG  LEU    18       4.960   1.178  -1.991  1.00  7.43      1CRN 202
ATOM    134  CD1 LEU    18       3.907    .097  -1.634  1.00  8.70      1CRN 203
ATOM    135  CD2 LEU    18       6.129    .606  -2.768  1.00  9.39      1CRN 204
ATOM    136  N   PRO    19       3.329   4.795  -4.543  1.00  4.28      1CRN 205
ATOM    137  CA  PRO    19       2.792   5.376  -5.797  1.00  5.38      1CRN 206
ATOM    138  C   PRO    19       3.573   6.540  -6.322  1.00  6.30      1CRN 207
ATOM    139  O   PRO    19       3.260   7.045  -7.422  1.00  9.62      1CRN 208
ATOM    140  CB  PRO    19       1.358   5.766  -5.472  1.00  5.87      1CRN 209
ATOM    141  CG  PRO    19       1.223   5.694  -3.993  1.00  6.47      1CRN 210
ATOM    142  CD  PRO    19       2.421   4.941  -3.408  1.00  6.45      1CRN 211
ATOM    143  N   GLY    20       4.565   7.047  -5.559  1.00  4.94      1CRN 212
ATOM    144  CA  GLY    20       5.366   8.191  -6.018  1.00  5.39      1CRN 213
ATOM    145  C   GLY    20       5.007   9.481  -5.280  1.00  5.03      1CRN 214
ATOM    146  O   GLY    20       5.535  10.510  -5.730  1.00  7.34      1CRN 215
ATOM    147  N   THR    21       4.181   9.438  -4.262  1.00  4.10      1CRN 216
ATOM    148  CA  THR    21       3.767  10.609  -3.513  1.00  3.94      1CRN 217
ATOM    149  C   THR    21       5.017  11.397  -3.042  1.00  3.96      1CRN 218
ATOM    150  O   THR    21       5.947  10.757  -2.523  1.00  5.82      1CRN 219
ATOM    151  CB  THR    21       2.992  10.188  -2.225  1.00  4.13      1CRN 220
ATOM    152  OG1 THR    21       2.051   9.144  -2.623  1.00  5.45      1CRN 221
ATOM    153  CG2 THR    21       2.260  11.349  -1.551  1.00  5.41      1CRN 222
ATOM    154  N   PRO    22       4.971  12.703  -3.176  1.00  5.04      1CRN 223
ATOM    155  CA  PRO    22       6.143  13.513  -2.696  1.00  4.69      1CRN 224
ATOM    156  C   PRO    22       6.400  13.233  -1.225  1.00  4.19      1CRN 225
ATOM    157  O   PRO    22       5.485  13.061   -.382  1.00  4.47      1CRN 226
ATOM    158  CB  PRO    22       5.703  14.969  -2.920  1.00  7.12      1CRN 227
ATOM    159  CG  PRO    22       4.676  14.893  -3.996  1.00  7.03      1CRN 228
ATOM    160  CD  PRO    22       3.964  13.567  -3.811  1.00  4.90      1CRN 229
ATOM    161  N   GLU    23       7.728  13.297   -.921  1.00  5.16      1CRN 230
ATOM    162  CA  GLU    23       8.114  13.103    .500  1.00  5.31      1CRN 231
ATOM    163  C   GLU    23       7.427  14.073   1.410  1.00  4.11      1CRN 232
ATOM    164  O   GLU    23       7.036  13.682   2.540  1.00  5.11      1CRN 233
ATOM    165  CB  GLU    23       9.648  13.285    .660  1.00  6.16      1CRN 234
ATOM    166  CG  GLU    23      10.440  12.093    .063  1.00  7.48      1CRN 235
ATOM    167  CD  GLU    23      11.941  12.170    .391  1.00  9.40      1CRN 236
ATOM    168  OE1 GLU    23      12.416  13.225    .681  1.00 10.40      1CRN 237
ATOM    169  OE2 GLU    23      12.539  11.070    .292  1.00 13.32      1CRN 238
ATOM    170  N   ALA    24       7.212  15.334    .966  1.00  4.56      1CRN 239
ATOM    171  CA  ALA    24       6.614  16.317   1.913  1.00  4.49      1CRN 240
ATOM    172  C   ALA    24       5.212  15.936   2.350  1.00  4.10      1CRN 241
ATOM    173  O   ALA    24       4.782  16.166   3.495  1.00  5.64      1CRN 242
ATOM    174  CB  ALA    24       6.605  17.695   1.246  1.00  5.80      1CRN 243
ATOM    175  N   ILE    25       4.445  15.318   1.405  1.00  4.37      1CRN 244
ATOM    176  CA  ILE    25       3.074  14.894   1.756  1.00  5.44      1CRN 245
ATOM    177  C   ILE    25       3.085  13.643   2.645  1.00  4.32      1CRN 246
ATOM    178  O   ILE    25       2.315  13.523   3.578  1.00  4.72      1CRN 247
ATOM    179  CB  ILE    25       2.204  14.637    .462  1.00  6.42      1CRN 248
ATOM    180  CG1 ILE    25       1.815  16.048   -.129  1.00  7.50      1CRN 249
ATOM    181  CG2 ILE    25        .903  13.864    .811  1.00  7.65      1CRN 250
ATOM    182  CD1 ILE    25        .756  16.761    .757  1.00  7.80      1CRN 251
ATOM    183  N   CYS    26       4.032  12.764   2.313  1.00  3.92      1CRN 252
ATOM    184  CA  CYS    26       4.180  11.549   3.187  1.00  4.37      1CRN 253
ATOM    185  C   CYS    26       4.632  11.944   4.596  1.00  3.95      1CRN 254
ATOM    186  O   CYS    26       4.227  11.252   5.547  1.00  4.74      1CRN 255
ATOM    187  CB  CYS    26       5.038  10.518   2.539  1.00  4.63      1CRN 256
ATOM    188  SG  CYS    26       4.349   9.794   1.022  1.00  5.61      1CRN 257
ATOM    189  N   ALA    27       5.408  13.012   4.694  1.00  3.89      1CRN 258
ATOM    190  CA  ALA    27       5.879  13.502   6.026  1.00  4.43      1CRN 259
ATOM    191  C   ALA    27       4.696  13.908   6.882  1.00  4.26      1CRN 260
ATOM    192  O   ALA    27       4.528  13.422   8.025  1.00  5.44      1CRN 261
ATOM    193  CB  ALA    27       6.880  14.615   5.830  1.00  5.36      1CRN 262
ATOM    194  N   THR    28       3.827  14.802   6.358  1.00  4.53      1CRN 263
ATOM    195  CA  THR    28       2.691  15.221   7.194  1.00  5.08      1CRN 264
ATOM    196  C   THR    28       1.672  14.132   7.434  1.00  4.62      1CRN 265
ATOM    197  O   THR    28        .947  14.112   8.468  1.00  7.80      1CRN 266
ATOM    198  CB  THR    28       1.986  16.520   6.614  1.00  6.03      1CRN 267
ATOM    199  OG1 THR    28       1.664  16.221   5.230  1.00  7.19      1CRN 268
ATOM    200  CG2 THR    28       2.914  17.739   6.700  1.00  7.34      1CRN 269
ATOM    201  N   TYR    29       1.621  13.190   6.511  1.00  5.01      1CRN 270
ATOM    202  CA  TYR    29        .715  12.045   6.657  1.00  6.60      1CRN 271
ATOM    203  C   TYR    29       1.125  11.125   7.815  1.00  4.92      1CRN 272
ATOM    204  O   TYR    29        .286  10.632   8.545  1.00  7.13      1CRN 273
ATOM    205  CB  TYR    29        .755  11.229   5.322  1.00  9.66      1CRN 274
ATOM    206  CG  TYR    29       -.203  10.044   5.354  1.00 11.56      1CRN 275
ATOM    207  CD1 TYR    29      -1.547  10.337   5.645  1.00 12.85      1CRN 276
ATOM    208  CD2 TYR    29        .193   8.750   5.100  1.00 14.44      1CRN 277
ATOM    209  CE1 TYR    29      -2.496   9.329   5.673  1.00 16.61      1CRN 278
ATOM    210  CE2 TYR    29       -.801   7.705   5.156  1.00 17.11      1CRN 279
ATOM    211  CZ  TYR    29      -2.079   8.031   5.430  1.00 19.99      1CRN 280
ATOM    212  OH  TYR    29      -3.097   7.057   5.458  1.00 28.98      1CRN 281
ATOM    213  N   THR    30       2.470  10.984   7.995  1.00  5.31      1CRN 282
ATOM    214  CA  THR    30       2.986   9.994   8.950  1.00  5.70      1CRN 283
ATOM    215  C   THR    30       3.609  10.505  10.230  1.00  6.28      1CRN 284
ATOM    216  O   THR    30       3.766   9.715  11.186  1.00  8.77      1CRN 285
ATOM    217  CB  THR    30       4.076   9.103   8.225  1.00  6.55      1CRN 286
ATOM    218  OG1 THR    30       5.125  10.027   7.824  1.00  6.57      1CRN 287
ATOM    219  CG2 THR    30       3.493   8.324   7.035  1.00  7.29      1CRN 288
ATOM    220  N   GLY    31       3.984  11.764  10.241  1.00  4.99      1CRN 289
ATOM    221  CA  GLY    31       4.769  12.336  11.360  1.00  5.50      1CRN 290
ATOM    222  C   GLY    31       6.255  12.243  11.106  1.00  4.19      1CRN 291
ATOM    223  O   GLY    31       7.037  12.750  11.954  1.00  6.12      1CRN 292
ATOM    224  N   CYS    32       6.710  11.631   9.992  1.00  4.30      1CRN 293
ATOM    225  CA  CYS    32       8.140  11.694   9.635  1.00  4.89      1CRN 294
ATOM    226  C   CYS    32       8.500  13.141   9.206  1.00  5.50      1CRN 295
ATOM    227  O   CYS    32       7.581  13.949   8.944  1.00  5.82      1CRN 296
ATOM    228  CB  CYS    32       8.504  10.686   8.530  1.00  4.66      1CRN 297
ATOM    229  SG  CYS    32       8.048   8.987   8.881  1.00  5.33      1CRN 298
ATOM    230  N   ILE    33       9.793  13.410   9.173  1.00  6.02      1CRN 299
ATOM    231  CA  ILE    33      10.280  14.760   8.823  1.00  5.24      1CRN 300
ATOM    232  C   ILE    33      11.346  14.658   7.743  1.00  5.16      1CRN 301
ATOM    233  O   ILE    33      11.971  13.583   7.552  1.00  7.19      1CRN 302
ATOM    234  CB  ILE    33      10.790  15.535  10.085  1.00  5.49      1CRN 303
ATOM    235  CG1 ILE    33      12.059  14.803  10.671  1.00  6.85      1CRN 304
ATOM    236  CG2 ILE    33       9.684  15.686  11.138  1.00  6.45      1CRN 305
ATOM    237  CD1 ILE    33      12.733  15.676  11.781  1.00  8.94      1CRN 306
ATOM    238  N   ILE    34      11.490  15.773   7.038  1.00  5.52      1CRN 307
ATOM    239  CA  ILE    34      12.552  15.877   6.036  1.00  6.82      1CRN 308
ATOM    240  C   ILE    34      13.590  16.917   6.560  1.00  6.92      1CRN 309
ATOM    241  O   ILE    34      13.168  18.006   6.945  1.00  9.22      1CRN 310
ATOM    242  CB  ILE    34      11.987  16.360   4.681  1.00  8.11      1CRN 311
ATOM    243  CG1 ILE    34      10.914  15.338   4.163  1.00  9.59      1CRN 312
ATOM    244  CG2 ILE    34      13.131  16.517   3.629  1.00  9.73      1CRN 313
ATOM    245  CD1 ILE    34      10.151  16.024   2.938  1.00 13.41      1CRN 314
ATOM    246  N   ILE    35      14.856  16.493   6.536  1.00  7.06      1CRN 315
ATOM    247  CA  ILE    35      15.930  17.454   6.941  1.00  7.52      1CRN 316
ATOM    248  C   ILE    35      16.913  17.550   5.819  1.00  6.63      1CRN 317
ATOM    249  O   ILE    35      17.097  16.660   4.970  1.00  7.90      1CRN 318
ATOM    250  CB  ILE    35      16.622  16.995   8.285  1.00  8.07      1CRN 319
ATOM    251  CG1 ILE    35      17.360  15.651   8.067  1.00  9.41      1CRN 320
ATOM    252  CG2 ILE    35      15.592  16.974   9.434  1.00  9.46      1CRN 321
ATOM    253  CD1 ILE    35      18.298  15.206   9.219  1.00  9.85      1CRN 322
ATOM    254  N   PRO    36      17.664  18.669   5.806  1.00  8.07      1CRN 323
ATOM    255  CA  PRO    36      18.635  18.861   4.738  1.00  8.78      1CRN 324
ATOM    256  C   PRO    36      19.925  18.042   4.949  1.00  8.31      1CRN 325
ATOM    257  O   PRO    36      20.593  17.742   3.945  1.00  9.09      1CRN 326
ATOM    258  CB  PRO    36      18.945  20.364   4.783  1.00  9.67      1CRN 327
ATOM    259  CG  PRO    36      18.238  20.937   5.908  1.00 10.15      1CRN 328
ATOM    260  CD  PRO    36      17.371  19.900   6.596  1.00  9.53      1CRN 329
ATOM    261  N   GLY    37      20.172  17.730   6.217  1.00  8.48      1CRN 330
ATOM    262  CA  GLY    37      21.452  16.969   6.513  1.00  9.20      1CRN 331
ATOM    263  C   GLY    37      21.143  15.478   6.427  1.00 10.41      1CRN 332
ATOM    264  O   GLY    37      20.138  15.023   5.878  1.00 12.06      1CRN 333
ATOM    265  N   ALA    38      22.055  14.701   7.032  1.00  9.24      1CRN 334
ATOM    266  CA  ALA    38      22.019  13.242   7.020  1.00  9.24      1CRN 335
ATOM    267  C   ALA    38      21.944  12.628   8.396  1.00  9.60      1CRN 336
ATOM    268  O   ALA    38      21.869  11.387   8.435  1.00 13.65      1CRN 337
ATOM    269  CB  ALA    38      23.246  12.697   6.275  1.00 10.43      1CRN 338
ATOM    270  N   THR    39      21.894  13.435   9.436  1.00  8.70      1CRN 339
ATOM    271  CA  THR    39      21.936  12.911  10.809  1.00  9.46      1CRN 340
ATOM    272  C   THR    39      20.615  13.191  11.521  1.00  8.32      1CRN 341
ATOM    273  O   THR    39      20.357  14.317  11.948  1.00  9.89      1CRN 342
ATOM    274  CB  THR    39      23.131  13.601  11.593  1.00 10.72      1CRN 343
ATOM    275  OG1 THR    39      24.284  13.401  10.709  1.00 11.66      1CRN 344
ATOM    276  CG2 THR    39      23.340  12.935  12.962  1.00 11.81      1CRN 345
ATOM    277  N   CYS    40      19.827  12.110  11.642  1.00  7.64      1CRN 346
ATOM    278  CA  CYS    40      18.504  12.312  12.298  1.00  8.05      1CRN 347
ATOM    279  C   CYS    40      18.684  12.451  13.784  1.00  7.63      1CRN 348
ATOM    280  O   CYS    40      19.533  11.718  14.362  1.00  9.64      1CRN 349
ATOM    281  CB  CYS    40      17.582  11.117  11.996  1.00  7.80      1CRN 350
ATOM    282  SG  CYS    40      17.199  10.929  10.237  1.00  7.30      1CRN 351
ATOM    283  N   PRO    41      17.880  13.266  14.426  1.00  8.00      1CRN 352
ATOM    284  CA  PRO    41      17.924  13.421  15.877  1.00  8.96      1CRN 353
ATOM    285  C   PRO    41      17.392  12.206  16.594  1.00  9.06      1CRN 354
ATOM    286  O   PRO    41      16.652  11.368  16.033  1.00  8.82      1CRN 355
ATOM    287  CB  PRO    41      17.076  14.658  16.145  1.00 10.39      1CRN 356
ATOM    288  CG  PRO    41      16.098  14.689  14.997  1.00 10.99      1CRN 357
ATOM    289  CD  PRO    41      16.859  14.150  13.779  1.00 10.49      1CRN 358
ATOM    290  N   GLY    42      17.728  12.124  17.884  1.00  7.55      1CRN 359
ATOM    291  CA  GLY    42      17.334  10.956  18.691  1.00  8.00      1CRN 360
ATOM    292  C   GLY    42      15.875  10.688  18.871  1.00  7.22      1CRN 361
ATOM    293  O   GLY    42      15.434   9.550  19.166  1.00  8.41      1CRN 362
ATOM    294  N   ASP    43      15.036  11.747  18.715  1.00  5.54      1CRN 363
ATOM    295  CA  ASP    43      13.564  11.573  18.836  1.00  5.85      1CRN 364
ATOM    296  C   ASP    43      12.936  11.227  17.470  1.00  5.87      1CRN 365
ATOM    297  O   ASP    43      11.720  11.040  17.428  1.00  7.29      1CRN 366
ATOM    298  CB  ASP    43      12.933  12.737  19.580  1.00  6.72      1CRN 367
ATOM    299  CG  ASP    43      13.140  14.094  18.958  1.00  8.59      1CRN 368
ATOM    300  OD1 ASP    43      14.109  14.303  18.212  1.00  9.59      1CRN 369
ATOM    301  OD2 ASP    43      12.267  14.963  19.265  1.00 11.45      1CRN 370
ATOM    302  N   TYR    44      13.725  11.174  16.425  1.00  5.22      1CRN 371
ATOM    303  CA  TYR    44      13.257  10.745  15.081  1.00  5.56      1CRN 372
ATOM    304  C   TYR    44      14.275   9.687  14.612  1.00  4.61      1CRN 373
ATOM    305  O   TYR    44      14.930   9.862  13.568  1.00  6.04      1CRN 374
ATOM    306  CB  TYR    44      13.200  11.914  14.071  1.00  5.41      1CRN 375
ATOM    307  CG  TYR    44      12.000  12.819  14.399  1.00  5.34      1CRN 376
ATOM    308  CD1 TYR    44      12.119  13.853  15.332  1.00  6.59      1CRN 377
ATOM    309  CD2 TYR    44      10.775  12.617  13.762  1.00  5.94      1CRN 378
ATOM    310  CE1 TYR    44      11.045  14.675  15.610  1.00  5.97      1CRN 379
ATOM    311  CE2 TYR    44       9.676  13.433  14.048  1.00  5.17      1CRN 380
ATOM    312  CZ  TYR    44       9.802  14.456  14.996  1.00  5.96      1CRN 381
ATOM    313  OH  TYR    44       8.740  15.265  15.269  1.00  8.60      1CRN 382
ATOM    314  N   ALA    45      14.342   8.640  15.422  1.00  4.76      1CRN 383
ATOM    315  CA  ALA    45      15.445   7.667  15.246  1.00  5.89      1CRN 384
ATOM    316  C   ALA    45      15.171   6.533  14.280  1.00  6.67      1CRN 385
ATOM    317  O   ALA    45      16.093   5.705  14.039  1.00  7.56      1CRN 386
ATOM    318  CB  ALA    45      15.680   7.099  16.682  1.00  6.82      1CRN 387
ATOM    319  N   ASN    46      13.966   6.502  13.739  1.00  5.80      1CRN 388
ATOM    320  CA  ASN    46      13.512   5.395  12.878  1.00  6.15      1CRN 389
ATOM    321  C   ASN    46      13.311   5.853  11.455  1.00  6.61      1CRN 390
ATOM    322  O   ASN    46      13.733   6.929  11.026  1.00  7.18      1CRN 391
ATOM    323  CB  ASN    46      12.266   4.769  13.501  1.00  7.27      1CRN 392
ATOM    324  CG  ASN    46      12.538   4.304  14.922  1.00  7.98      1CRN 393
ATOM    325  OD1 ASN    46      11.982   4.849  15.886  1.00 11.00      1CRN 394
ATOM    326  ND2 ASN    46      13.407   3.298  15.015  1.00 10.32      1CRN 395
ATOM    327  OXT ASN    46      12.703   4.973  10.746  1.00  7.86      1CRN 396
TER     328      ASN    46                                              1CRN 397
CONECT   20   19  282                                                   1CRN 398
CONECT   26   25  229                                                   1CRN 399
CONECT  116  115  188                                                   1CRN 400
CONECT  188  116  187                                                   1CRN 401
CONECT  229   26  228                                                   1CRN 402
CONECT  282   20  281                                                   1CRN 403
MASTER       62    0    0    2    2    1    0    6  327    1    6    4  1CRND  6
END                                                                     1CRN 405