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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
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