Browse entries in the PDBbind-CN Database
HEADER 1IDG_COMPLEX COMPND 1IDG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA SEQRES 2 A 74 VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS SEQRES 3 A 74 MET TRP CYS ASP ALA PHE CYS SER SER ARG GLY LYS VAL SEQRES 4 A 74 VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS SEQRES 5 A 74 PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS SEQRES 6 A 74 ASN PRO HIS PRO LYS GLN ARG PRO GLY HET TYR A 75 310 SSBOND 1 CYS A 3 CYS A 23 SSBOND 2 CYS A 29 CYS A 33 SSBOND 3 CYS A 16 CYS A 44 SSBOND 4 CYS A 48 CYS A 59 SSBOND 5 CYS A 60 CYS A 65 ATOM 1 N ILE A 1 -3.234 17.757 -7.198 1.00 0.00 N ATOM 2 CA ILE A 1 -2.532 16.448 -7.248 1.00 0.00 C ATOM 3 C ILE A 1 -3.126 15.604 -6.085 1.00 0.00 C ATOM 4 O ILE A 1 -2.901 15.909 -4.907 1.00 0.00 O ATOM 5 CB ILE A 1 -0.971 16.619 -7.243 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.396 17.482 -8.414 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.216 15.266 -7.155 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.860 17.135 -9.840 1.00 0.00 C ATOM 9 HA ILE A 1 -2.699 15.915 -8.184 1.00 0.00 H ATOM 10 HB ILE A 1 -0.787 17.183 -6.329 1.00 0.00 H ATOM 11 HG12 ILE A 1 -0.672 18.519 -8.223 1.00 0.00 H ATOM 12 HG13 ILE A 1 0.689 17.386 -8.390 1.00 0.00 H ATOM 13 HD11 ILE A 1 -0.581 16.107 -10.072 1.00 0.00 H ATOM 14 HD12 ILE A 1 -1.943 17.242 -9.904 1.00 0.00 H ATOM 15 HD13 ILE A 1 -0.384 17.811 -10.550 1.00 0.00 H ATOM 16 HG21 ILE A 1 -0.498 14.753 -6.235 1.00 0.00 H ATOM 17 HG22 ILE A 1 -0.480 14.647 -8.013 1.00 0.00 H ATOM 18 HG23 ILE A 1 0.858 15.450 -7.156 1.00 0.00 H ATOM 19 HN3 ILE A 1 -3.060 18.207 -6.277 1.00 0.00 H ATOM 20 HN2 ILE A 1 -4.255 17.606 -7.324 1.00 0.00 H ATOM 21 HN1 ILE A 1 -2.876 18.370 -7.958 1.00 0.00 H ATOM 22 N VAL A 2 -3.928 14.579 -6.434 1.00 0.00 N ATOM 23 CA VAL A 2 -4.924 13.989 -5.496 1.00 0.00 C ATOM 24 C VAL A 2 -4.833 12.436 -5.562 1.00 0.00 C ATOM 25 O VAL A 2 -5.257 11.800 -6.532 1.00 0.00 O ATOM 26 CB VAL A 2 -6.348 14.604 -5.772 1.00 0.00 C ATOM 27 CG1 VAL A 2 -7.551 13.743 -5.314 1.00 0.00 C ATOM 28 CG2 VAL A 2 -6.453 16.011 -5.135 1.00 0.00 C ATOM 29 HA VAL A 2 -4.708 14.247 -4.459 1.00 0.00 H ATOM 30 HB VAL A 2 -6.421 14.650 -6.859 1.00 0.00 H ATOM 31 HG11 VAL A 2 -7.527 12.783 -5.830 1.00 0.00 H ATOM 32 HG12 VAL A 2 -7.491 13.580 -4.238 1.00 0.00 H ATOM 33 HG13 VAL A 2 -8.479 14.262 -5.553 1.00 0.00 H ATOM 34 HG21 VAL A 2 -6.299 15.934 -4.059 1.00 0.00 H ATOM 35 HG22 VAL A 2 -5.692 16.661 -5.566 1.00 0.00 H ATOM 36 HG23 VAL A 2 -7.442 16.425 -5.333 1.00 0.00 H ATOM 37 H VAL A 2 -3.849 14.185 -7.393 1.00 0.00 H ATOM 38 N CYS A 3 -4.367 11.866 -4.439 1.00 0.00 N ATOM 39 CA CYS A 3 -4.440 10.417 -4.125 1.00 0.00 C ATOM 40 C CYS A 3 -5.897 9.947 -3.818 1.00 0.00 C ATOM 41 O CYS A 3 -6.722 10.747 -3.367 1.00 0.00 O ATOM 42 CB CYS A 3 -3.501 10.207 -2.900 1.00 0.00 C ATOM 43 SG CYS A 3 -2.587 8.662 -3.002 1.00 0.00 S ATOM 44 HA CYS A 3 -4.128 9.818 -4.981 1.00 0.00 H ATOM 45 HB2 CYS A 3 -4.104 10.199 -1.992 1.00 0.00 H ATOM 46 HB3 CYS A 3 -2.791 11.033 -2.856 1.00 0.00 H ATOM 47 H CYS A 3 -3.920 12.488 -3.735 1.00 0.00 H ATOM 48 N HIS A 4 -6.208 8.645 -4.002 1.00 0.00 N ATOM 49 CA HIS A 4 -7.453 8.035 -3.428 1.00 0.00 C ATOM 50 C HIS A 4 -7.278 7.800 -1.880 1.00 0.00 C ATOM 51 O HIS A 4 -6.233 8.130 -1.301 1.00 0.00 O ATOM 52 CB HIS A 4 -7.842 6.697 -4.139 1.00 0.00 C ATOM 53 CG HIS A 4 -7.923 6.551 -5.664 1.00 0.00 C ATOM 54 ND1 HIS A 4 -7.881 5.300 -6.270 1.00 0.00 N ATOM 55 CD2 HIS A 4 -8.070 7.549 -6.651 1.00 0.00 C ATOM 56 CE1 HIS A 4 -7.965 5.657 -7.587 1.00 0.00 C ATOM 57 NE2 HIS A 4 -8.097 6.977 -7.916 1.00 0.00 N ATOM 58 HA HIS A 4 -8.268 8.739 -3.599 1.00 0.00 H ATOM 59 HB2 HIS A 4 -7.114 5.957 -3.805 1.00 0.00 H ATOM 60 HB3 HIS A 4 -8.829 6.431 -3.759 1.00 0.00 H ATOM 61 HD2 HIS A 4 -8.151 8.617 -6.449 1.00 0.00 H ATOM 62 HE1 HIS A 4 -7.927 4.896 -8.367 1.00 0.00 H ATOM 63 H HIS A 4 -5.564 8.047 -4.559 1.00 0.00 H ATOM 64 N THR A 5 -8.259 7.168 -1.191 1.00 0.00 N ATOM 65 CA THR A 5 -7.971 6.478 0.101 1.00 0.00 C ATOM 66 C THR A 5 -7.415 5.050 -0.194 1.00 0.00 C ATOM 67 O THR A 5 -8.137 4.049 -0.225 1.00 0.00 O ATOM 68 CB THR A 5 -9.135 6.412 1.128 1.00 0.00 C ATOM 69 OG1 THR A 5 -10.293 5.846 0.534 1.00 0.00 O ATOM 70 CG2 THR A 5 -9.504 7.731 1.823 1.00 0.00 C ATOM 71 HA THR A 5 -7.230 7.104 0.599 1.00 0.00 H ATOM 72 HB THR A 5 -8.746 5.775 1.923 1.00 0.00 H ATOM 73 HG1 THR A 5 -10.088 4.929 0.221 1.00 0.00 H ATOM 74 HG23 THR A 5 -8.612 8.162 2.278 1.00 0.00 H ATOM 75 HG21 THR A 5 -9.911 8.426 1.088 1.00 0.00 H ATOM 76 HG22 THR A 5 -10.250 7.538 2.594 1.00 0.00 H ATOM 77 H THR A 5 -9.228 7.164 -1.568 1.00 0.00 H ATOM 78 N THR A 6 -6.088 4.981 -0.330 1.00 0.00 N ATOM 79 CA THR A 6 -5.252 4.122 0.538 1.00 0.00 C ATOM 80 C THR A 6 -5.414 2.585 0.353 1.00 0.00 C ATOM 81 O THR A 6 -4.725 1.995 -0.484 1.00 0.00 O ATOM 82 CB THR A 6 -5.066 4.674 1.997 1.00 0.00 C ATOM 83 OG1 THR A 6 -4.679 6.047 1.951 1.00 0.00 O ATOM 84 CG2 THR A 6 -6.251 4.548 2.989 1.00 0.00 C ATOM 85 HA THR A 6 -4.246 4.224 0.130 1.00 0.00 H ATOM 86 HB THR A 6 -4.300 4.011 2.399 1.00 0.00 H ATOM 87 HG1 THR A 6 -4.564 6.387 2.874 1.00 0.00 H ATOM 88 HG23 THR A 6 -6.568 3.507 3.044 1.00 0.00 H ATOM 89 HG21 THR A 6 -5.934 4.885 3.976 1.00 0.00 H ATOM 90 HG22 THR A 6 -7.081 5.164 2.642 1.00 0.00 H ATOM 91 H THR A 6 -5.628 5.549 -1.070 1.00 0.00 H ATOM 92 N ALA A 7 -6.257 1.950 1.180 1.00 0.00 N ATOM 93 CA ALA A 7 -5.949 0.624 1.761 1.00 0.00 C ATOM 94 C ALA A 7 -7.254 -0.070 2.187 1.00 0.00 C ATOM 95 O ALA A 7 -8.081 0.514 2.895 1.00 0.00 O ATOM 96 CB ALA A 7 -5.004 0.765 2.970 1.00 0.00 C ATOM 97 HA ALA A 7 -5.448 0.018 1.005 1.00 0.00 H ATOM 98 HB1 ALA A 7 -4.074 1.235 2.650 1.00 0.00 H ATOM 99 HB2 ALA A 7 -5.480 1.382 3.732 1.00 0.00 H ATOM 100 HB3 ALA A 7 -4.792 -0.222 3.381 1.00 0.00 H ATOM 101 H ALA A 7 -7.160 2.406 1.422 1.00 0.00 H ATOM 102 N THR A 8 -7.443 -1.295 1.664 1.00 0.00 N ATOM 103 CA THR A 8 -8.788 -1.879 1.382 1.00 0.00 C ATOM 104 C THR A 8 -9.503 -1.225 0.155 1.00 0.00 C ATOM 105 O THR A 8 -10.040 -1.958 -0.676 1.00 0.00 O ATOM 106 CB THR A 8 -9.759 -2.143 2.580 1.00 0.00 C ATOM 107 OG1 THR A 8 -10.264 -0.936 3.135 1.00 0.00 O ATOM 108 CG2 THR A 8 -9.171 -2.974 3.733 1.00 0.00 C ATOM 109 HA THR A 8 -8.506 -2.897 1.112 1.00 0.00 H ATOM 110 HB THR A 8 -10.554 -2.730 2.120 1.00 0.00 H ATOM 111 HG1 THR A 8 -9.510 -0.385 3.464 1.00 0.00 H ATOM 112 HG23 THR A 8 -8.774 -3.910 3.339 1.00 0.00 H ATOM 113 HG21 THR A 8 -8.370 -2.411 4.213 1.00 0.00 H ATOM 114 HG22 THR A 8 -9.954 -3.188 4.461 1.00 0.00 H ATOM 115 H THR A 8 -6.604 -1.868 1.443 1.00 0.00 H ATOM 116 N SER A 9 -9.546 0.121 0.059 1.00 0.00 N ATOM 117 CA SER A 9 -10.747 0.841 -0.413 1.00 0.00 C ATOM 118 C SER A 9 -10.617 1.530 -1.808 1.00 0.00 C ATOM 119 O SER A 9 -9.522 1.978 -2.170 1.00 0.00 O ATOM 120 CB SER A 9 -11.080 1.968 0.604 1.00 0.00 C ATOM 121 OG SER A 9 -11.130 1.522 1.952 1.00 0.00 O ATOM 122 HA SER A 9 -11.517 0.074 -0.504 1.00 0.00 H ATOM 123 HB2 SER A 9 -12.051 2.391 0.345 1.00 0.00 H ATOM 124 HB3 SER A 9 -10.315 2.741 0.525 1.00 0.00 H ATOM 125 HG SER A 9 -10.251 1.144 2.206 1.00 0.00 H ATOM 126 H SER A 9 -8.704 0.670 0.327 1.00 0.00 H ATOM 127 N PRO A 10 -11.742 1.770 -2.541 1.00 0.00 N ATOM 128 CA PRO A 10 -11.839 2.847 -3.559 1.00 0.00 C ATOM 129 C PRO A 10 -11.956 4.322 -3.021 1.00 0.00 C ATOM 130 O PRO A 10 -11.309 5.186 -3.616 1.00 0.00 O ATOM 131 CB PRO A 10 -13.074 2.400 -4.369 1.00 0.00 C ATOM 132 CG PRO A 10 -13.965 1.650 -3.379 1.00 0.00 C ATOM 133 CD PRO A 10 -12.990 0.986 -2.412 1.00 0.00 C ATOM 134 HA PRO A 10 -10.916 2.936 -4.132 1.00 0.00 H ATOM 135 HD3 PRO A 10 -13.369 1.032 -1.391 1.00 0.00 H ATOM 136 HD2 PRO A 10 -12.821 -0.055 -2.689 1.00 0.00 H ATOM 137 HG3 PRO A 10 -14.567 0.901 -3.893 1.00 0.00 H ATOM 138 HG2 PRO A 10 -14.621 2.342 -2.850 1.00 0.00 H ATOM 139 HB2 PRO A 10 -13.598 3.266 -4.773 1.00 0.00 H ATOM 140 HB3 PRO A 10 -12.776 1.743 -5.186 1.00 0.00 H ATOM 141 N ILE A 11 -12.774 4.612 -1.980 1.00 0.00 N ATOM 142 CA ILE A 11 -13.291 5.984 -1.676 1.00 0.00 C ATOM 143 C ILE A 11 -13.182 6.361 -0.159 1.00 0.00 C ATOM 144 O ILE A 11 -13.316 5.495 0.715 1.00 0.00 O ATOM 145 CB ILE A 11 -14.779 6.176 -2.142 1.00 0.00 C ATOM 146 CG1 ILE A 11 -14.910 6.281 -3.691 1.00 0.00 C ATOM 147 CG2 ILE A 11 -15.781 5.164 -1.505 1.00 0.00 C ATOM 148 CD1 ILE A 11 -16.334 6.499 -4.225 1.00 0.00 C ATOM 149 HA ILE A 11 -12.646 6.655 -2.244 1.00 0.00 H ATOM 150 HB ILE A 11 -15.083 7.144 -1.744 1.00 0.00 H ATOM 151 HG12 ILE A 11 -14.295 7.118 -4.024 1.00 0.00 H ATOM 152 HG13 ILE A 11 -14.528 5.356 -4.123 1.00 0.00 H ATOM 153 HD11 ILE A 11 -16.967 5.666 -3.920 1.00 0.00 H ATOM 154 HD12 ILE A 11 -16.734 7.428 -3.820 1.00 0.00 H ATOM 155 HD13 ILE A 11 -16.308 6.557 -5.313 1.00 0.00 H ATOM 156 HG21 ILE A 11 -15.489 4.148 -1.772 1.00 0.00 H ATOM 157 HG22 ILE A 11 -15.767 5.274 -0.421 1.00 0.00 H ATOM 158 HG23 ILE A 11 -16.785 5.365 -1.879 1.00 0.00 H ATOM 159 H ILE A 11 -13.060 3.833 -1.353 1.00 0.00 H ATOM 160 N SER A 12 -13.041 7.677 0.132 1.00 0.00 N ATOM 161 CA SER A 12 -13.527 8.283 1.403 1.00 0.00 C ATOM 162 C SER A 12 -13.543 9.836 1.242 1.00 0.00 C ATOM 163 O SER A 12 -14.458 10.349 0.589 1.00 0.00 O ATOM 164 CB SER A 12 -12.908 7.696 2.716 1.00 0.00 C ATOM 165 OG SER A 12 -13.910 7.081 3.522 1.00 0.00 O ATOM 166 HA SER A 12 -14.558 7.974 1.574 1.00 0.00 H ATOM 167 HB2 SER A 12 -12.440 8.502 3.281 1.00 0.00 H ATOM 168 HB3 SER A 12 -12.155 6.953 2.454 1.00 0.00 H ATOM 169 HG SER A 12 -13.494 6.719 4.344 1.00 0.00 H ATOM 170 H SER A 12 -12.572 8.292 -0.564 1.00 0.00 H ATOM 171 N ALA A 13 -12.576 10.585 1.814 1.00 0.00 N ATOM 172 CA ALA A 13 -12.433 12.050 1.600 1.00 0.00 C ATOM 173 C ALA A 13 -10.920 12.378 1.690 1.00 0.00 C ATOM 174 O ALA A 13 -10.279 12.169 2.729 1.00 0.00 O ATOM 175 CB ALA A 13 -13.272 12.862 2.606 1.00 0.00 C ATOM 176 HA ALA A 13 -12.817 12.333 0.620 1.00 0.00 H ATOM 177 HB1 ALA A 13 -14.324 12.601 2.494 1.00 0.00 H ATOM 178 HB2 ALA A 13 -12.945 12.631 3.620 1.00 0.00 H ATOM 179 HB3 ALA A 13 -13.138 13.926 2.413 1.00 0.00 H ATOM 180 H ALA A 13 -11.893 10.111 2.439 1.00 0.00 H ATOM 181 N VAL A 14 -10.336 12.810 0.560 1.00 0.00 N ATOM 182 CA VAL A 14 -8.941 12.421 0.197 1.00 0.00 C ATOM 183 C VAL A 14 -7.959 13.640 0.277 1.00 0.00 C ATOM 184 O VAL A 14 -8.041 14.422 1.229 1.00 0.00 O ATOM 185 CB VAL A 14 -8.990 11.561 -1.124 1.00 0.00 C ATOM 186 CG1 VAL A 14 -9.730 10.219 -0.945 1.00 0.00 C ATOM 187 CG2 VAL A 14 -9.529 12.262 -2.393 1.00 0.00 C ATOM 188 HA VAL A 14 -8.484 11.756 0.930 1.00 0.00 H ATOM 189 HB VAL A 14 -7.928 11.389 -1.301 1.00 0.00 H ATOM 190 HG11 VAL A 14 -9.225 9.626 -0.183 1.00 0.00 H ATOM 191 HG12 VAL A 14 -10.758 10.411 -0.636 1.00 0.00 H ATOM 192 HG13 VAL A 14 -9.728 9.676 -1.890 1.00 0.00 H ATOM 193 HG21 VAL A 14 -10.553 12.592 -2.217 1.00 0.00 H ATOM 194 HG22 VAL A 14 -8.903 13.124 -2.624 1.00 0.00 H ATOM 195 HG23 VAL A 14 -9.510 11.563 -3.229 1.00 0.00 H ATOM 196 H VAL A 14 -10.870 13.432 -0.079 1.00 0.00 H ATOM 197 N THR A 15 -6.997 13.761 -0.667 1.00 0.00 N ATOM 198 CA THR A 15 -5.968 14.847 -0.733 1.00 0.00 C ATOM 199 C THR A 15 -4.770 14.597 0.247 1.00 0.00 C ATOM 200 O THR A 15 -4.991 14.425 1.450 1.00 0.00 O ATOM 201 CB THR A 15 -6.457 16.339 -0.696 1.00 0.00 C ATOM 202 OG1 THR A 15 -6.669 16.794 0.634 1.00 0.00 O ATOM 203 CG2 THR A 15 -7.734 16.678 -1.487 1.00 0.00 C ATOM 204 HA THR A 15 -5.620 14.750 -1.761 1.00 0.00 H ATOM 205 HB THR A 15 -5.629 16.848 -1.190 1.00 0.00 H ATOM 206 HG1 THR A 15 -7.357 16.231 1.069 1.00 0.00 H ATOM 207 HG23 THR A 15 -7.619 16.347 -2.519 1.00 0.00 H ATOM 208 HG21 THR A 15 -8.586 16.171 -1.034 1.00 0.00 H ATOM 209 HG22 THR A 15 -7.898 17.755 -1.466 1.00 0.00 H ATOM 210 H THR A 15 -6.970 13.036 -1.412 1.00 0.00 H ATOM 211 N CYS A 16 -3.514 14.661 -0.258 1.00 0.00 N ATOM 212 CA CYS A 16 -2.307 14.896 0.595 1.00 0.00 C ATOM 213 C CYS A 16 -1.980 16.436 0.527 1.00 0.00 C ATOM 214 O CYS A 16 -1.375 16.841 -0.474 1.00 0.00 O ATOM 215 CB CYS A 16 -1.117 14.011 0.162 1.00 0.00 C ATOM 216 SG CYS A 16 0.311 14.455 1.187 1.00 0.00 S ATOM 217 HA CYS A 16 -2.505 14.610 1.628 1.00 0.00 H ATOM 218 HB2 CYS A 16 -0.888 14.187 -0.889 1.00 0.00 H ATOM 219 HB3 CYS A 16 -1.365 12.960 0.308 1.00 0.00 H ATOM 220 H CYS A 16 -3.383 14.542 -1.283 1.00 0.00 H ATOM 221 N PRO A 17 -2.399 17.353 1.463 1.00 0.00 N ATOM 222 CA PRO A 17 -2.739 18.751 1.069 1.00 0.00 C ATOM 223 C PRO A 17 -1.755 19.963 1.272 1.00 0.00 C ATOM 224 O PRO A 17 -1.491 20.591 0.240 1.00 0.00 O ATOM 225 CB PRO A 17 -4.116 18.986 1.717 1.00 0.00 C ATOM 226 CG PRO A 17 -4.282 17.952 2.834 1.00 0.00 C ATOM 227 CD PRO A 17 -3.108 16.980 2.710 1.00 0.00 C ATOM 228 HA PRO A 17 -2.684 18.771 -0.019 1.00 0.00 H ATOM 229 HD3 PRO A 17 -2.443 17.078 3.568 1.00 0.00 H ATOM 230 HD2 PRO A 17 -3.470 15.954 2.648 1.00 0.00 H ATOM 231 HG3 PRO A 17 -5.226 17.419 2.716 1.00 0.00 H ATOM 232 HG2 PRO A 17 -4.263 18.443 3.807 1.00 0.00 H ATOM 233 HB2 PRO A 17 -4.166 19.993 2.131 1.00 0.00 H ATOM 234 HB3 PRO A 17 -4.904 18.861 0.974 1.00 0.00 H ATOM 235 N PRO A 18 -1.273 20.440 2.471 1.00 0.00 N ATOM 236 CA PRO A 18 -0.824 21.855 2.672 1.00 0.00 C ATOM 237 C PRO A 18 0.487 22.213 1.905 1.00 0.00 C ATOM 238 O PRO A 18 0.419 22.841 0.842 1.00 0.00 O ATOM 239 CB PRO A 18 -0.762 21.975 4.213 1.00 0.00 C ATOM 240 CG PRO A 18 -0.459 20.553 4.689 1.00 0.00 C ATOM 241 CD PRO A 18 -1.268 19.674 3.732 1.00 0.00 C ATOM 242 HA PRO A 18 -1.498 22.596 2.242 1.00 0.00 H ATOM 243 HD3 PRO A 18 -0.789 18.704 3.596 1.00 0.00 H ATOM 244 HD2 PRO A 18 -2.283 19.528 4.102 1.00 0.00 H ATOM 245 HG3 PRO A 18 -0.784 20.409 5.719 1.00 0.00 H ATOM 246 HG2 PRO A 18 0.606 20.335 4.612 1.00 0.00 H ATOM 247 HB2 PRO A 18 0.029 22.661 4.516 1.00 0.00 H ATOM 248 HB3 PRO A 18 -1.715 22.322 4.613 1.00 0.00 H ATOM 249 N GLY A 19 1.639 21.709 2.369 1.00 0.00 N ATOM 250 CA GLY A 19 2.576 21.008 1.476 1.00 0.00 C ATOM 251 C GLY A 19 2.347 19.459 1.460 1.00 0.00 C ATOM 252 O GLY A 19 1.397 18.910 2.030 1.00 0.00 O ATOM 253 HA3 GLY A 19 3.594 21.207 1.811 1.00 0.00 H ATOM 254 HA2 GLY A 19 2.447 21.391 0.464 1.00 0.00 H ATOM 255 H GLY A 19 1.875 21.815 3.376 1.00 0.00 H ATOM 256 N GLU A 20 3.206 18.683 0.792 1.00 0.00 N ATOM 257 CA GLU A 20 4.528 18.968 0.462 1.00 0.00 C ATOM 258 C GLU A 20 3.579 17.608 0.227 1.00 0.00 C ATOM 259 O GLU A 20 3.552 16.620 0.969 1.00 0.00 O ATOM 260 CB GLU A 20 5.562 18.956 1.610 1.00 0.00 C ATOM 261 CG GLU A 20 6.983 19.279 1.110 1.00 0.00 C ATOM 262 CD GLU A 20 7.327 20.772 1.192 1.00 0.00 C ATOM 263 OE1 GLU A 20 6.844 21.547 0.337 1.00 0.00 O ATOM 264 OE2 GLU A 20 8.052 21.178 2.127 1.00 0.00 O ATOM 265 HA GLU A 20 5.115 19.678 -0.120 1.00 0.00 H ATOM 266 HB2 GLU A 20 5.272 19.699 2.353 1.00 0.00 H ATOM 267 HB3 GLU A 20 5.566 17.968 2.070 1.00 0.00 H ATOM 268 HG2 GLU A 20 7.699 18.724 1.717 1.00 0.00 H ATOM 269 HG3 GLU A 20 7.066 18.961 0.071 1.00 0.00 H ATOM 270 H GLU A 20 2.845 17.758 0.483 1.00 0.00 H ATOM 271 N ASN A 21 3.718 17.477 -1.104 1.00 0.00 N ATOM 272 CA ASN A 21 4.396 16.316 -1.749 1.00 0.00 C ATOM 273 C ASN A 21 3.511 15.049 -1.941 1.00 0.00 C ATOM 274 O ASN A 21 2.438 15.138 -2.546 1.00 0.00 O ATOM 275 CB ASN A 21 5.894 16.172 -1.254 1.00 0.00 C ATOM 276 CG ASN A 21 6.959 16.830 -2.161 1.00 0.00 C ATOM 277 OD1 ASN A 21 6.765 17.894 -2.746 1.00 0.00 O ATOM 278 ND2 ASN A 21 8.143 16.251 -2.257 1.00 0.00 N ATOM 279 HA ASN A 21 4.528 16.531 -2.809 1.00 0.00 H ATOM 280 HB2 ASN A 21 5.967 16.626 -0.266 1.00 0.00 H ATOM 281 HB3 ASN A 21 6.124 15.109 -1.182 1.00 0.00 H ATOM 282 HD22 ASN A 21 8.323 15.351 -1.768 1.00 0.00 H ATOM 283 HD21 ASN A 21 8.895 16.695 -2.821 1.00 0.00 H ATOM 284 H ASN A 21 3.332 18.225 -1.716 1.00 0.00 H ATOM 285 N LEU A 22 4.015 13.855 -1.587 1.00 0.00 N ATOM 286 CA LEU A 22 3.888 12.655 -2.462 1.00 0.00 C ATOM 287 C LEU A 22 3.218 11.518 -1.650 1.00 0.00 C ATOM 288 O LEU A 22 3.395 11.424 -0.429 1.00 0.00 O ATOM 289 CB LEU A 22 5.276 12.183 -3.015 1.00 0.00 C ATOM 290 CG LEU A 22 6.300 13.234 -3.565 1.00 0.00 C ATOM 291 CD1 LEU A 22 7.626 12.581 -4.003 1.00 0.00 C ATOM 292 CD2 LEU A 22 5.734 14.172 -4.657 1.00 0.00 C ATOM 293 HA LEU A 22 3.275 12.917 -3.325 1.00 0.00 H ATOM 294 HB2 LEU A 22 5.774 11.653 -2.203 1.00 0.00 H ATOM 295 HB3 LEU A 22 5.071 11.488 -3.829 1.00 0.00 H ATOM 296 HG LEU A 22 6.512 13.883 -2.715 1.00 0.00 H ATOM 297 HD21 LEU A 22 5.401 13.578 -5.508 1.00 0.00 H ATOM 298 HD22 LEU A 22 4.891 14.732 -4.252 1.00 0.00 H ATOM 299 HD23 LEU A 22 6.512 14.865 -4.978 1.00 0.00 H ATOM 300 HD11 LEU A 22 8.081 12.078 -3.150 1.00 0.00 H ATOM 301 HD12 LEU A 22 7.429 11.855 -4.791 1.00 0.00 H ATOM 302 HD13 LEU A 22 8.302 13.350 -4.376 1.00 0.00 H ATOM 303 H LEU A 22 4.508 13.765 -0.676 1.00 0.00 H ATOM 304 N CYS A 23 2.445 10.639 -2.323 1.00 0.00 N ATOM 305 CA CYS A 23 1.573 9.637 -1.643 1.00 0.00 C ATOM 306 C CYS A 23 2.308 8.315 -1.232 1.00 0.00 C ATOM 307 O CYS A 23 1.965 7.220 -1.678 1.00 0.00 O ATOM 308 CB CYS A 23 0.370 9.450 -2.597 1.00 0.00 C ATOM 309 SG CYS A 23 -1.028 8.730 -1.739 1.00 0.00 S ATOM 310 HA CYS A 23 1.241 9.990 -0.667 1.00 0.00 H ATOM 311 HB2 CYS A 23 0.663 8.792 -3.415 1.00 0.00 H ATOM 312 HB3 CYS A 23 0.080 10.421 -2.999 1.00 0.00 H ATOM 313 H CYS A 23 2.458 10.661 -3.363 1.00 0.00 H ATOM 314 N TYR A 24 3.294 8.481 -0.332 1.00 0.00 N ATOM 315 CA TYR A 24 4.421 7.557 -0.007 1.00 0.00 C ATOM 316 C TYR A 24 4.087 6.047 0.190 1.00 0.00 C ATOM 317 O TYR A 24 3.854 5.588 1.312 1.00 0.00 O ATOM 318 CB TYR A 24 5.021 8.248 1.264 1.00 0.00 C ATOM 319 CG TYR A 24 6.347 7.775 1.876 1.00 0.00 C ATOM 320 CD1 TYR A 24 7.554 7.993 1.202 1.00 0.00 C ATOM 321 CD2 TYR A 24 6.373 7.327 3.203 1.00 0.00 C ATOM 322 CE1 TYR A 24 8.767 7.786 1.851 1.00 0.00 C ATOM 323 CE2 TYR A 24 7.588 7.109 3.849 1.00 0.00 C ATOM 324 CZ TYR A 24 8.786 7.343 3.174 1.00 0.00 C ATOM 325 OH TYR A 24 9.987 7.165 3.817 1.00 0.00 O ATOM 326 HA TYR A 24 5.106 7.450 -0.848 1.00 0.00 H ATOM 327 HB3 TYR A 24 4.269 8.159 2.048 1.00 0.00 H ATOM 328 HB2 TYR A 24 5.156 9.299 1.010 1.00 0.00 H ATOM 329 HD2 TYR A 24 5.438 7.148 3.733 1.00 0.00 H ATOM 330 HE2 TYR A 24 7.602 6.756 4.880 1.00 0.00 H ATOM 331 HE1 TYR A 24 9.704 7.970 1.325 1.00 0.00 H ATOM 332 HD1 TYR A 24 7.544 8.326 0.164 1.00 0.00 H ATOM 333 HH TYR A 24 10.728 7.374 3.194 1.00 0.00 H ATOM 334 H TYR A 24 3.268 9.369 0.208 1.00 0.00 H ATOM 335 N ARG A 25 4.069 5.282 -0.922 1.00 0.00 N ATOM 336 CA ARG A 25 3.402 3.958 -0.972 1.00 0.00 C ATOM 337 C ARG A 25 4.399 2.816 -0.688 1.00 0.00 C ATOM 338 O ARG A 25 5.272 2.505 -1.502 1.00 0.00 O ATOM 339 CB ARG A 25 2.649 3.788 -2.318 1.00 0.00 C ATOM 340 CG ARG A 25 1.762 2.515 -2.435 1.00 0.00 C ATOM 341 CD ARG A 25 2.213 1.512 -3.515 1.00 0.00 C ATOM 342 NE ARG A 25 1.912 1.985 -4.891 1.00 0.00 N ATOM 343 CZ ARG A 25 2.781 2.015 -5.918 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.080 1.748 -5.811 1.00 0.00 N ATOM 345 NH2 ARG A 25 2.309 2.336 -7.107 1.00 0.00 N ATOM 346 HA ARG A 25 2.656 3.906 -0.179 1.00 0.00 H ATOM 347 HB2 ARG A 25 2.007 4.658 -2.456 1.00 0.00 H ATOM 348 HB3 ARG A 25 3.391 3.755 -3.116 1.00 0.00 H ATOM 349 HG2 ARG A 25 1.772 2.004 -1.472 1.00 0.00 H ATOM 350 HG3 ARG A 25 0.745 2.830 -2.668 1.00 0.00 H ATOM 351 HD2 ARG A 25 1.699 0.565 -3.350 1.00 0.00 H ATOM 352 HD3 ARG A 25 3.289 1.360 -3.424 1.00 0.00 H ATOM 353 HE ARG A 25 0.946 2.322 -5.077 1.00 0.00 H ATOM 354 HH12 ARG A 25 4.691 1.792 -6.652 1.00 0.00 H ATOM 355 HH11 ARG A 25 4.485 1.496 -4.887 1.00 0.00 H ATOM 356 HH22 ARG A 25 2.947 2.371 -7.928 1.00 0.00 H ATOM 357 HH21 ARG A 25 1.299 2.554 -7.224 1.00 0.00 H ATOM 358 H ARG A 25 4.542 5.635 -1.778 1.00 0.00 H ATOM 359 N LYS A 26 4.174 2.164 0.463 1.00 0.00 N ATOM 360 CA LYS A 26 4.849 0.900 0.837 1.00 0.00 C ATOM 361 C LYS A 26 4.192 -0.277 0.070 1.00 0.00 C ATOM 362 O LYS A 26 2.966 -0.432 0.070 1.00 0.00 O ATOM 363 CB LYS A 26 4.726 0.674 2.372 1.00 0.00 C ATOM 364 CG LYS A 26 5.930 1.013 3.277 1.00 0.00 C ATOM 365 CD LYS A 26 6.117 -0.034 4.395 1.00 0.00 C ATOM 366 CE LYS A 26 7.344 0.179 5.293 1.00 0.00 C ATOM 367 NZ LYS A 26 7.130 1.226 6.308 1.00 0.00 N ATOM 368 HA LYS A 26 5.905 0.956 0.573 1.00 0.00 H ATOM 369 HB2 LYS A 26 3.886 1.277 2.718 1.00 0.00 H ATOM 370 HB3 LYS A 26 4.500 -0.382 2.523 1.00 0.00 H ATOM 371 HG2 LYS A 26 6.833 1.044 2.667 1.00 0.00 H ATOM 372 HG3 LYS A 26 5.766 1.990 3.732 1.00 0.00 H ATOM 373 HD2 LYS A 26 5.229 -0.015 5.027 1.00 0.00 H ATOM 374 HD3 LYS A 26 6.207 -1.014 3.927 1.00 0.00 H ATOM 375 HE2 LYS A 26 8.189 0.467 4.667 1.00 0.00 H ATOM 376 HE3 LYS A 26 7.572 -0.758 5.801 1.00 0.00 H ATOM 377 HZ1 LYS A 26 6.920 2.128 5.835 1.00 0.00 H ATOM 378 HZ2 LYS A 26 6.331 0.958 6.917 1.00 0.00 H ATOM 379 HZ3 LYS A 26 7.989 1.328 6.886 1.00 0.00 H ATOM 380 H LYS A 26 3.487 2.569 1.130 1.00 0.00 H ATOM 381 N MET A 27 5.032 -1.105 -0.562 1.00 0.00 N ATOM 382 CA MET A 27 4.578 -2.306 -1.298 1.00 0.00 C ATOM 383 C MET A 27 5.625 -3.408 -1.024 1.00 0.00 C ATOM 384 O MET A 27 6.735 -3.339 -1.559 1.00 0.00 O ATOM 385 CB MET A 27 4.390 -1.976 -2.803 1.00 0.00 C ATOM 386 CG MET A 27 3.605 -3.030 -3.597 1.00 0.00 C ATOM 387 SD MET A 27 3.342 -2.420 -5.276 1.00 0.00 S ATOM 388 CE MET A 27 4.786 -3.072 -6.137 1.00 0.00 C ATOM 389 HA MET A 27 3.602 -2.657 -0.965 1.00 0.00 H ATOM 390 HB2 MET A 27 3.858 -1.027 -2.879 1.00 0.00 H ATOM 391 HB3 MET A 27 5.377 -1.875 -3.255 1.00 0.00 H ATOM 392 HG2 MET A 27 2.643 -3.208 -3.117 1.00 0.00 H ATOM 393 HG3 MET A 27 4.171 -3.961 -3.630 1.00 0.00 H ATOM 394 HE1 MET A 27 5.691 -2.679 -5.675 1.00 0.00 H ATOM 395 HE2 MET A 27 4.786 -4.160 -6.071 1.00 0.00 H ATOM 396 HE3 MET A 27 4.750 -2.770 -7.184 1.00 0.00 H ATOM 397 H MET A 27 6.050 -0.895 -0.535 1.00 0.00 H ATOM 398 N TRP A 28 5.268 -4.407 -0.185 1.00 0.00 N ATOM 399 CA TRP A 28 6.215 -5.450 0.317 1.00 0.00 C ATOM 400 C TRP A 28 7.077 -6.132 -0.777 1.00 0.00 C ATOM 401 O TRP A 28 8.286 -5.873 -0.820 1.00 0.00 O ATOM 402 CB TRP A 28 5.492 -6.421 1.292 1.00 0.00 C ATOM 403 CG TRP A 28 6.399 -7.337 2.125 1.00 0.00 C ATOM 404 CD1 TRP A 28 6.964 -8.547 1.677 1.00 0.00 C ATOM 405 CD2 TRP A 28 6.853 -7.173 3.424 1.00 0.00 C ATOM 406 NE1 TRP A 28 7.800 -9.126 2.646 1.00 0.00 N ATOM 407 CE2 TRP A 28 7.718 -8.255 3.721 1.00 0.00 C ATOM 408 CE3 TRP A 28 6.575 -6.191 4.412 1.00 0.00 C ATOM 409 CZ2 TRP A 28 8.328 -8.355 4.993 1.00 0.00 C ATOM 410 CZ3 TRP A 28 7.183 -6.310 5.665 1.00 0.00 C ATOM 411 CH2 TRP A 28 8.045 -7.378 5.950 1.00 0.00 C ATOM 412 HA TRP A 28 6.978 -4.934 0.899 1.00 0.00 H ATOM 413 HB2 TRP A 28 4.899 -5.821 1.982 1.00 0.00 H ATOM 414 HB3 TRP A 28 4.829 -7.054 0.702 1.00 0.00 H ATOM 415 HE1 TRP A 28 8.352 -10.004 2.574 1.00 0.00 H ATOM 416 HD1 TRP A 28 6.775 -8.982 0.696 1.00 0.00 H ATOM 417 HZ2 TRP A 28 9.005 -9.178 5.222 1.00 0.00 H ATOM 418 HH2 TRP A 28 8.503 -7.447 6.937 1.00 0.00 H ATOM 419 HZ3 TRP A 28 6.984 -5.561 6.432 1.00 0.00 H ATOM 420 HE3 TRP A 28 5.901 -5.361 4.197 1.00 0.00 H ATOM 421 H TRP A 28 4.278 -4.452 0.129 1.00 0.00 H ATOM 422 N CYS A 29 6.458 -6.947 -1.659 1.00 0.00 N ATOM 423 CA CYS A 29 7.149 -7.605 -2.801 1.00 0.00 C ATOM 424 C CYS A 29 8.358 -8.460 -2.313 1.00 0.00 C ATOM 425 O CYS A 29 9.499 -7.992 -2.376 1.00 0.00 O ATOM 426 CB CYS A 29 7.489 -6.578 -3.921 1.00 0.00 C ATOM 427 SG CYS A 29 7.261 -7.288 -5.558 1.00 0.00 S ATOM 428 HA CYS A 29 6.467 -8.317 -3.266 1.00 0.00 H ATOM 429 HB2 CYS A 29 8.527 -6.265 -3.812 1.00 0.00 H ATOM 430 HB3 CYS A 29 6.837 -5.711 -3.817 1.00 0.00 H ATOM 431 H CYS A 29 5.441 -7.125 -1.533 1.00 0.00 H ATOM 432 N ASP A 30 8.084 -9.658 -1.751 1.00 0.00 N ATOM 433 CA ASP A 30 9.074 -10.461 -0.970 1.00 0.00 C ATOM 434 C ASP A 30 10.489 -10.651 -1.623 1.00 0.00 C ATOM 435 O ASP A 30 11.493 -10.446 -0.935 1.00 0.00 O ATOM 436 CB ASP A 30 8.416 -11.811 -0.532 1.00 0.00 C ATOM 437 CG ASP A 30 8.667 -12.249 0.919 1.00 0.00 C ATOM 438 OD1 ASP A 30 9.833 -12.517 1.285 1.00 0.00 O ATOM 439 OD2 ASP A 30 7.688 -12.338 1.696 1.00 0.00 O ATOM 440 HA ASP A 30 9.316 -9.864 -0.091 1.00 0.00 H ATOM 441 HB2 ASP A 30 7.339 -11.716 -0.669 1.00 0.00 H ATOM 442 HB3 ASP A 30 8.797 -12.595 -1.187 1.00 0.00 H ATOM 443 H ASP A 30 7.126 -10.045 -1.869 1.00 0.00 H ATOM 444 N ALA A 31 10.546 -10.958 -2.945 1.00 0.00 N ATOM 445 CA ALA A 31 11.767 -10.789 -3.794 1.00 0.00 C ATOM 446 C ALA A 31 11.465 -10.615 -5.380 1.00 0.00 C ATOM 447 O ALA A 31 11.919 -9.521 -5.738 1.00 0.00 O ATOM 448 CB ALA A 31 12.891 -11.777 -3.368 1.00 0.00 C ATOM 449 HA ALA A 31 12.195 -9.808 -3.586 1.00 0.00 H ATOM 450 HB1 ALA A 31 13.162 -11.591 -2.329 1.00 0.00 H ATOM 451 HB2 ALA A 31 12.532 -12.801 -3.474 1.00 0.00 H ATOM 452 HB3 ALA A 31 13.764 -11.629 -4.004 1.00 0.00 H ATOM 453 H ALA A 31 9.687 -11.334 -3.395 1.00 0.00 H ATOM 454 N PHE A 32 11.922 -11.692 -6.092 1.00 0.00 N ATOM 455 CA PHE A 32 11.285 -12.621 -6.956 1.00 0.00 C ATOM 456 C PHE A 32 10.616 -11.328 -6.277 1.00 0.00 C ATOM 457 O PHE A 32 10.282 -10.600 -7.253 1.00 0.00 O ATOM 458 CB PHE A 32 11.338 -14.072 -6.367 1.00 0.00 C ATOM 459 CG PHE A 32 12.507 -14.907 -6.912 1.00 0.00 C ATOM 460 CD1 PHE A 32 13.798 -14.746 -6.390 1.00 0.00 C ATOM 461 CD2 PHE A 32 12.297 -15.840 -7.936 1.00 0.00 C ATOM 462 CE1 PHE A 32 14.854 -15.501 -6.887 1.00 0.00 C ATOM 463 CE2 PHE A 32 13.356 -16.594 -8.429 1.00 0.00 C ATOM 464 CZ PHE A 32 14.638 -16.428 -7.907 1.00 0.00 C ATOM 465 HA PHE A 32 11.237 -13.007 -7.974 1.00 0.00 H ATOM 466 HB2 PHE A 32 11.438 -14.003 -5.284 1.00 0.00 H ATOM 467 HB3 PHE A 32 10.405 -14.580 -6.613 1.00 0.00 H ATOM 468 HD2 PHE A 32 11.297 -15.976 -8.349 1.00 0.00 H ATOM 469 HE2 PHE A 32 13.183 -17.317 -9.226 1.00 0.00 H ATOM 470 HZ PHE A 32 15.468 -17.020 -8.294 1.00 0.00 H ATOM 471 HE1 PHE A 32 15.856 -15.368 -6.478 1.00 0.00 H ATOM 472 HD1 PHE A 32 13.974 -14.026 -5.591 1.00 0.00 H ATOM 473 H PHE A 32 12.941 -11.864 -5.976 1.00 0.00 H ATOM 474 N CYS A 33 9.555 -11.845 -5.619 1.00 0.00 N ATOM 475 CA CYS A 33 8.104 -11.645 -5.901 1.00 0.00 C ATOM 476 C CYS A 33 7.642 -11.890 -7.367 1.00 0.00 C ATOM 477 O CYS A 33 7.691 -10.995 -8.215 1.00 0.00 O ATOM 478 CB CYS A 33 7.526 -10.347 -5.310 1.00 0.00 C ATOM 479 SG CYS A 33 8.426 -8.887 -5.816 1.00 0.00 S ATOM 480 HA CYS A 33 7.655 -12.471 -5.349 1.00 0.00 H ATOM 481 HB2 CYS A 33 7.558 -10.416 -4.223 1.00 0.00 H ATOM 482 HB3 CYS A 33 6.491 -10.247 -5.636 1.00 0.00 H ATOM 483 H CYS A 33 9.779 -12.462 -4.812 1.00 0.00 H ATOM 484 N SER A 34 7.179 -13.118 -7.638 1.00 0.00 N ATOM 485 CA SER A 34 6.652 -13.527 -8.963 1.00 0.00 C ATOM 486 C SER A 34 5.202 -12.997 -9.178 1.00 0.00 C ATOM 487 O SER A 34 5.008 -12.058 -9.958 1.00 0.00 O ATOM 488 CB SER A 34 6.852 -15.057 -9.113 1.00 0.00 C ATOM 489 OG SER A 34 6.160 -15.820 -8.123 1.00 0.00 O ATOM 490 HA SER A 34 7.206 -13.066 -9.781 1.00 0.00 H ATOM 491 HB2 SER A 34 7.917 -15.276 -9.036 1.00 0.00 H ATOM 492 HB3 SER A 34 6.491 -15.358 -10.096 1.00 0.00 H ATOM 493 HG SER A 34 6.328 -16.784 -8.274 1.00 0.00 H ATOM 494 H SER A 34 7.190 -13.825 -6.875 1.00 0.00 H ATOM 495 N SER A 35 4.209 -13.543 -8.447 1.00 0.00 N ATOM 496 CA SER A 35 2.865 -12.920 -8.287 1.00 0.00 C ATOM 497 C SER A 35 2.718 -12.582 -6.767 1.00 0.00 C ATOM 498 O SER A 35 2.046 -13.305 -6.020 1.00 0.00 O ATOM 499 CB SER A 35 1.753 -13.869 -8.819 1.00 0.00 C ATOM 500 OG SER A 35 2.004 -14.260 -10.162 1.00 0.00 O ATOM 501 HA SER A 35 2.760 -12.008 -8.874 1.00 0.00 H ATOM 502 HB2 SER A 35 0.794 -13.353 -8.773 1.00 0.00 H ATOM 503 HB3 SER A 35 1.716 -14.759 -8.191 1.00 0.00 H ATOM 504 HG SER A 35 1.281 -14.862 -10.470 1.00 0.00 H ATOM 505 H SER A 35 4.391 -14.448 -7.969 1.00 0.00 H ATOM 506 N ARG A 36 3.408 -11.517 -6.291 1.00 0.00 N ATOM 507 CA ARG A 36 3.572 -11.257 -4.830 1.00 0.00 C ATOM 508 C ARG A 36 3.736 -9.744 -4.530 1.00 0.00 C ATOM 509 O ARG A 36 4.012 -8.905 -5.391 1.00 0.00 O ATOM 510 CB ARG A 36 4.727 -12.116 -4.216 1.00 0.00 C ATOM 511 CG ARG A 36 4.284 -13.357 -3.409 1.00 0.00 C ATOM 512 CD ARG A 36 4.431 -14.703 -4.144 1.00 0.00 C ATOM 513 NE ARG A 36 3.611 -15.718 -3.437 1.00 0.00 N ATOM 514 CZ ARG A 36 2.646 -16.458 -4.018 1.00 0.00 C ATOM 515 NH1 ARG A 36 2.515 -16.618 -5.331 1.00 0.00 N ATOM 516 NH2 ARG A 36 1.775 -17.065 -3.227 1.00 0.00 N ATOM 517 HA ARG A 36 2.652 -11.573 -4.338 1.00 0.00 H ATOM 518 HB2 ARG A 36 5.362 -12.457 -5.034 1.00 0.00 H ATOM 519 HB3 ARG A 36 5.306 -11.474 -3.552 1.00 0.00 H ATOM 520 HG2 ARG A 36 4.885 -13.401 -2.500 1.00 0.00 H ATOM 521 HG3 ARG A 36 3.234 -13.230 -3.143 1.00 0.00 H ATOM 522 HD2 ARG A 36 5.477 -15.010 -4.144 1.00 0.00 H ATOM 523 HD3 ARG A 36 4.084 -14.601 -5.172 1.00 0.00 H ATOM 524 HE ARG A 36 3.793 -15.869 -2.424 1.00 0.00 H ATOM 525 HH12 ARG A 36 1.744 -17.205 -5.709 1.00 0.00 H ATOM 526 HH11 ARG A 36 3.183 -16.156 -5.980 1.00 0.00 H ATOM 527 HH22 ARG A 36 1.016 -17.645 -3.638 1.00 0.00 H ATOM 528 HH21 ARG A 36 1.850 -16.962 -2.195 1.00 0.00 H ATOM 529 H ARG A 36 3.839 -10.856 -6.969 1.00 0.00 H ATOM 530 N GLY A 37 3.464 -9.437 -3.262 1.00 0.00 N ATOM 531 CA GLY A 37 2.942 -8.134 -2.842 1.00 0.00 C ATOM 532 C GLY A 37 1.666 -8.448 -2.041 1.00 0.00 C ATOM 533 O GLY A 37 1.732 -9.020 -0.947 1.00 0.00 O ATOM 534 HA3 GLY A 37 2.707 -7.519 -3.710 1.00 0.00 H ATOM 535 HA2 GLY A 37 3.668 -7.615 -2.216 1.00 0.00 H ATOM 536 H GLY A 37 3.631 -10.160 -2.533 1.00 0.00 H ATOM 537 N LYS A 38 0.503 -8.039 -2.581 1.00 0.00 N ATOM 538 CA LYS A 38 -0.743 -7.777 -1.795 1.00 0.00 C ATOM 539 C LYS A 38 -0.519 -7.070 -0.413 1.00 0.00 C ATOM 540 O LYS A 38 -0.812 -7.607 0.664 1.00 0.00 O ATOM 541 CB LYS A 38 -1.779 -8.946 -1.789 1.00 0.00 C ATOM 542 CG LYS A 38 -1.408 -10.270 -1.075 1.00 0.00 C ATOM 543 CD LYS A 38 -0.971 -11.446 -1.995 1.00 0.00 C ATOM 544 CE LYS A 38 -1.920 -12.650 -2.101 1.00 0.00 C ATOM 545 NZ LYS A 38 -1.972 -13.439 -0.861 1.00 0.00 N ATOM 546 HA LYS A 38 -1.250 -7.009 -2.379 1.00 0.00 H ATOM 547 HB2 LYS A 38 -2.685 -8.569 -1.314 1.00 0.00 H ATOM 548 HB3 LYS A 38 -1.991 -9.192 -2.830 1.00 0.00 H ATOM 549 HG2 LYS A 38 -0.587 -10.060 -0.390 1.00 0.00 H ATOM 550 HG3 LYS A 38 -2.279 -10.597 -0.507 1.00 0.00 H ATOM 551 HD2 LYS A 38 -0.839 -11.044 -2.999 1.00 0.00 H ATOM 552 HD3 LYS A 38 -0.015 -11.814 -1.623 1.00 0.00 H ATOM 553 HE2 LYS A 38 -1.578 -13.294 -2.911 1.00 0.00 H ATOM 554 HE3 LYS A 38 -2.923 -12.286 -2.326 1.00 0.00 H ATOM 555 HZ1 LYS A 38 -1.022 -13.799 -0.640 1.00 0.00 H ATOM 556 HZ2 LYS A 38 -2.305 -12.836 -0.082 1.00 0.00 H ATOM 557 HZ3 LYS A 38 -2.626 -14.238 -0.987 1.00 0.00 H ATOM 558 H LYS A 38 0.468 -7.896 -3.611 1.00 0.00 H ATOM 559 N VAL A 39 0.113 -5.884 -0.516 1.00 0.00 N ATOM 560 CA VAL A 39 0.531 -5.052 0.630 1.00 0.00 C ATOM 561 C VAL A 39 0.499 -3.660 -0.022 1.00 0.00 C ATOM 562 O VAL A 39 1.374 -3.309 -0.820 1.00 0.00 O ATOM 563 CB VAL A 39 1.937 -5.405 1.257 1.00 0.00 C ATOM 564 CG1 VAL A 39 2.404 -4.381 2.332 1.00 0.00 C ATOM 565 CG2 VAL A 39 2.002 -6.825 1.863 1.00 0.00 C ATOM 566 HA VAL A 39 -0.107 -5.181 1.504 1.00 0.00 H ATOM 567 HB VAL A 39 2.617 -5.358 0.406 1.00 0.00 H ATOM 568 HG11 VAL A 39 2.483 -3.392 1.880 1.00 0.00 H ATOM 569 HG12 VAL A 39 1.678 -4.353 3.145 1.00 0.00 H ATOM 570 HG13 VAL A 39 3.376 -4.683 2.722 1.00 0.00 H ATOM 571 HG21 VAL A 39 1.259 -6.915 2.655 1.00 0.00 H ATOM 572 HG22 VAL A 39 1.797 -7.560 1.085 1.00 0.00 H ATOM 573 HG23 VAL A 39 2.996 -6.998 2.275 1.00 0.00 H ATOM 574 H VAL A 39 0.321 -5.529 -1.471 1.00 0.00 H ATOM 575 N VAL A 40 -0.470 -2.838 0.379 1.00 0.00 N ATOM 576 CA VAL A 40 -0.291 -1.366 0.366 1.00 0.00 C ATOM 577 C VAL A 40 0.122 -0.918 1.813 1.00 0.00 C ATOM 578 O VAL A 40 0.443 -1.725 2.695 1.00 0.00 O ATOM 579 CB VAL A 40 -1.500 -0.614 -0.290 1.00 0.00 C ATOM 580 CG1 VAL A 40 -1.782 -1.013 -1.756 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.784 -0.690 0.544 1.00 0.00 C ATOM 582 HA VAL A 40 0.523 -1.071 -0.297 1.00 0.00 H ATOM 583 HB VAL A 40 -1.172 0.425 -0.308 1.00 0.00 H ATOM 584 HG11 VAL A 40 -0.904 -0.797 -2.365 1.00 0.00 H ATOM 585 HG12 VAL A 40 -2.006 -2.079 -1.805 1.00 0.00 H ATOM 586 HG13 VAL A 40 -2.634 -0.444 -2.129 1.00 0.00 H ATOM 587 HG21 VAL A 40 -3.073 -1.733 0.669 1.00 0.00 H ATOM 588 HG22 VAL A 40 -2.608 -0.241 1.522 1.00 0.00 H ATOM 589 HG23 VAL A 40 -3.580 -0.149 0.033 1.00 0.00 H ATOM 590 H VAL A 40 -1.372 -3.238 0.708 1.00 0.00 H ATOM 591 N GLU A 41 0.135 0.403 2.041 1.00 0.00 N ATOM 592 CA GLU A 41 0.299 0.988 3.395 1.00 0.00 C ATOM 593 C GLU A 41 -0.068 2.485 3.230 1.00 0.00 C ATOM 594 O GLU A 41 -1.227 2.835 3.458 1.00 0.00 O ATOM 595 CB GLU A 41 1.683 0.666 4.057 1.00 0.00 C ATOM 596 CG GLU A 41 1.668 0.074 5.476 1.00 0.00 C ATOM 597 CD GLU A 41 1.820 1.138 6.573 1.00 0.00 C ATOM 598 OE1 GLU A 41 2.920 1.729 6.677 1.00 0.00 O ATOM 599 OE2 GLU A 41 0.852 1.395 7.322 1.00 0.00 O ATOM 600 HA GLU A 41 -0.363 0.535 4.133 1.00 0.00 H ATOM 601 HB2 GLU A 41 2.197 -0.046 3.411 1.00 0.00 H ATOM 602 HB3 GLU A 41 2.251 1.595 4.096 1.00 0.00 H ATOM 603 HG2 GLU A 41 0.722 -0.446 5.625 1.00 0.00 H ATOM 604 HG3 GLU A 41 2.490 -0.636 5.565 1.00 0.00 H ATOM 605 H GLU A 41 0.025 1.047 1.232 1.00 0.00 H ATOM 606 N LEU A 42 0.894 3.324 2.790 1.00 0.00 N ATOM 607 CA LEU A 42 0.763 4.790 2.603 1.00 0.00 C ATOM 608 C LEU A 42 0.143 5.643 3.750 1.00 0.00 C ATOM 609 O LEU A 42 -0.980 5.411 4.209 1.00 0.00 O ATOM 610 CB LEU A 42 0.257 5.251 1.207 1.00 0.00 C ATOM 611 CG LEU A 42 -1.214 4.942 0.805 1.00 0.00 C ATOM 612 CD1 LEU A 42 -1.894 6.199 0.237 1.00 0.00 C ATOM 613 CD2 LEU A 42 -1.283 3.762 -0.194 1.00 0.00 C ATOM 614 HA LEU A 42 1.824 5.031 2.663 1.00 0.00 H ATOM 615 HB2 LEU A 42 0.382 6.333 1.162 1.00 0.00 H ATOM 616 HB3 LEU A 42 0.899 4.781 0.462 1.00 0.00 H ATOM 617 HG LEU A 42 -1.757 4.642 1.701 1.00 0.00 H ATOM 618 HD21 LEU A 42 -0.721 4.015 -1.093 1.00 0.00 H ATOM 619 HD22 LEU A 42 -0.853 2.872 0.266 1.00 0.00 H ATOM 620 HD23 LEU A 42 -2.323 3.570 -0.456 1.00 0.00 H ATOM 621 HD11 LEU A 42 -1.891 6.985 0.992 1.00 0.00 H ATOM 622 HD12 LEU A 42 -1.350 6.538 -0.644 1.00 0.00 H ATOM 623 HD13 LEU A 42 -2.922 5.962 -0.038 1.00 0.00 H ATOM 624 H LEU A 42 1.816 2.902 2.560 1.00 0.00 H ATOM 625 N GLY A 43 0.866 6.710 4.108 1.00 0.00 N ATOM 626 CA GLY A 43 0.276 7.868 4.816 1.00 0.00 C ATOM 627 C GLY A 43 0.980 9.212 4.516 1.00 0.00 C ATOM 628 O GLY A 43 1.072 10.037 5.428 1.00 0.00 O ATOM 629 HA3 GLY A 43 0.335 7.681 5.888 1.00 0.00 H ATOM 630 HA2 GLY A 43 -0.770 7.955 4.521 1.00 0.00 H ATOM 631 H GLY A 43 1.881 6.726 3.880 1.00 0.00 H ATOM 632 N CYS A 44 1.441 9.445 3.263 1.00 0.00 N ATOM 633 CA CYS A 44 2.139 10.680 2.825 1.00 0.00 C ATOM 634 C CYS A 44 3.502 10.961 3.532 1.00 0.00 C ATOM 635 O CYS A 44 3.677 10.724 4.732 1.00 0.00 O ATOM 636 CB CYS A 44 1.202 11.913 2.783 1.00 0.00 C ATOM 637 SG CYS A 44 1.615 12.945 1.359 1.00 0.00 S ATOM 638 HA CYS A 44 2.428 10.474 1.794 1.00 0.00 H ATOM 639 HB2 CYS A 44 1.324 12.492 3.698 1.00 0.00 H ATOM 640 HB3 CYS A 44 0.168 11.579 2.701 1.00 0.00 H ATOM 641 H CYS A 44 1.294 8.700 2.552 1.00 0.00 H ATOM 642 N ALA A 45 4.455 11.507 2.764 1.00 0.00 N ATOM 643 CA ALA A 45 5.701 12.103 3.309 1.00 0.00 C ATOM 644 C ALA A 45 5.884 13.540 2.736 1.00 0.00 C ATOM 645 O ALA A 45 5.060 14.068 1.975 1.00 0.00 O ATOM 646 CB ALA A 45 6.878 11.146 3.005 1.00 0.00 C ATOM 647 HA ALA A 45 5.656 12.216 4.392 1.00 0.00 H ATOM 648 HB1 ALA A 45 6.690 10.181 3.475 1.00 0.00 H ATOM 649 HB2 ALA A 45 6.969 11.015 1.927 1.00 0.00 H ATOM 650 HB3 ALA A 45 7.801 11.571 3.400 1.00 0.00 H ATOM 651 H ALA A 45 4.315 11.514 1.734 1.00 0.00 H ATOM 652 N ALA A 46 6.991 14.181 3.137 1.00 0.00 N ATOM 653 CA ALA A 46 7.431 15.472 2.548 1.00 0.00 C ATOM 654 C ALA A 46 8.471 15.388 1.385 1.00 0.00 C ATOM 655 O ALA A 46 8.837 16.436 0.846 1.00 0.00 O ATOM 656 CB ALA A 46 7.979 16.314 3.719 1.00 0.00 C ATOM 657 HA ALA A 46 6.567 15.921 2.058 1.00 0.00 H ATOM 658 HB1 ALA A 46 7.190 16.467 4.455 1.00 0.00 H ATOM 659 HB2 ALA A 46 8.814 15.789 4.183 1.00 0.00 H ATOM 660 HB3 ALA A 46 8.319 17.279 3.343 1.00 0.00 H ATOM 661 H ALA A 46 7.566 13.757 3.892 1.00 0.00 H ATOM 662 N THR A 47 9.001 14.196 1.025 1.00 0.00 N ATOM 663 CA THR A 47 10.345 14.072 0.392 1.00 0.00 C ATOM 664 C THR A 47 10.518 12.676 -0.303 1.00 0.00 C ATOM 665 O THR A 47 9.844 11.697 0.039 1.00 0.00 O ATOM 666 CB THR A 47 11.450 14.444 1.445 1.00 0.00 C ATOM 667 OG1 THR A 47 12.713 14.548 0.808 1.00 0.00 O ATOM 668 CG2 THR A 47 11.556 13.556 2.707 1.00 0.00 C ATOM 669 HA THR A 47 10.455 14.786 -0.425 1.00 0.00 H ATOM 670 HB THR A 47 11.117 15.404 1.840 1.00 0.00 H ATOM 671 HG1 THR A 47 13.402 14.782 1.479 1.00 0.00 H ATOM 672 HG23 THR A 47 10.578 13.486 3.184 1.00 0.00 H ATOM 673 HG21 THR A 47 11.894 12.560 2.421 1.00 0.00 H ATOM 674 HG22 THR A 47 12.270 13.998 3.402 1.00 0.00 H ATOM 675 H THR A 47 8.449 13.332 1.197 1.00 0.00 H ATOM 676 N CYS A 48 11.455 12.598 -1.277 1.00 0.00 N ATOM 677 CA CYS A 48 11.747 11.350 -2.047 1.00 0.00 C ATOM 678 C CYS A 48 13.097 10.562 -1.775 1.00 0.00 C ATOM 679 O CYS A 48 13.435 9.757 -2.652 1.00 0.00 O ATOM 680 CB CYS A 48 11.603 11.737 -3.544 1.00 0.00 C ATOM 681 SG CYS A 48 11.248 10.306 -4.599 1.00 0.00 S ATOM 682 HA CYS A 48 11.033 10.605 -1.695 1.00 0.00 H ATOM 683 HB2 CYS A 48 12.534 12.196 -3.878 1.00 0.00 H ATOM 684 HB3 CYS A 48 10.789 12.455 -3.643 1.00 0.00 H ATOM 685 H CYS A 48 12.002 13.453 -1.502 1.00 0.00 H ATOM 686 N PRO A 49 13.884 10.628 -0.644 1.00 0.00 N ATOM 687 CA PRO A 49 15.059 9.738 -0.392 1.00 0.00 C ATOM 688 C PRO A 49 14.779 8.235 -0.049 1.00 0.00 C ATOM 689 O PRO A 49 15.733 7.485 0.176 1.00 0.00 O ATOM 690 CB PRO A 49 15.775 10.472 0.760 1.00 0.00 C ATOM 691 CG PRO A 49 14.647 11.094 1.573 1.00 0.00 C ATOM 692 CD PRO A 49 13.642 11.504 0.504 1.00 0.00 C ATOM 693 HA PRO A 49 15.634 9.609 -1.309 1.00 0.00 H ATOM 694 HD3 PRO A 49 12.624 11.373 0.872 1.00 0.00 H ATOM 695 HD2 PRO A 49 13.794 12.546 0.223 1.00 0.00 H ATOM 696 HG3 PRO A 49 14.999 11.960 2.134 1.00 0.00 H ATOM 697 HG2 PRO A 49 14.213 10.369 2.262 1.00 0.00 H ATOM 698 HB2 PRO A 49 16.347 9.771 1.367 1.00 0.00 H ATOM 699 HB3 PRO A 49 16.441 11.242 0.372 1.00 0.00 H ATOM 700 N SER A 50 13.506 7.789 -0.076 1.00 0.00 N ATOM 701 CA SER A 50 13.146 6.362 -0.185 1.00 0.00 C ATOM 702 C SER A 50 13.233 5.907 -1.676 1.00 0.00 C ATOM 703 O SER A 50 12.543 6.415 -2.567 1.00 0.00 O ATOM 704 CB SER A 50 11.746 6.182 0.415 1.00 0.00 C ATOM 705 OG SER A 50 11.448 4.803 0.455 1.00 0.00 O ATOM 706 HA SER A 50 13.840 5.730 0.369 1.00 0.00 H ATOM 707 HB2 SER A 50 11.012 6.699 -0.203 1.00 0.00 H ATOM 708 HB3 SER A 50 11.723 6.593 1.424 1.00 0.00 H ATOM 709 HG SER A 50 12.118 4.338 1.016 1.00 0.00 H ATOM 710 H SER A 50 12.738 8.488 -0.017 1.00 0.00 H ATOM 711 N LYS A 51 14.183 4.991 -1.888 1.00 0.00 N ATOM 712 CA LYS A 51 14.842 4.691 -3.202 1.00 0.00 C ATOM 713 C LYS A 51 15.955 3.566 -3.060 1.00 0.00 C ATOM 714 O LYS A 51 16.822 3.436 -3.928 1.00 0.00 O ATOM 715 CB LYS A 51 15.471 5.972 -3.856 1.00 0.00 C ATOM 716 CG LYS A 51 16.443 6.772 -2.951 1.00 0.00 C ATOM 717 CD LYS A 51 17.681 7.401 -3.611 1.00 0.00 C ATOM 718 CE LYS A 51 18.495 8.235 -2.589 1.00 0.00 C ATOM 719 NZ LYS A 51 19.010 9.482 -3.179 1.00 0.00 N ATOM 720 HA LYS A 51 14.052 4.323 -3.857 1.00 0.00 H ATOM 721 HB2 LYS A 51 16.018 5.661 -4.746 1.00 0.00 H ATOM 722 HB3 LYS A 51 14.657 6.636 -4.145 1.00 0.00 H ATOM 723 HG2 LYS A 51 15.872 7.580 -2.494 1.00 0.00 H ATOM 724 HG3 LYS A 51 16.797 6.094 -2.174 1.00 0.00 H ATOM 725 HD2 LYS A 51 18.314 6.608 -4.009 1.00 0.00 H ATOM 726 HD3 LYS A 51 17.359 8.050 -4.425 1.00 0.00 H ATOM 727 HE2 LYS A 51 19.337 7.638 -2.238 1.00 0.00 H ATOM 728 HE3 LYS A 51 17.851 8.484 -1.746 1.00 0.00 H ATOM 729 HZ1 LYS A 51 19.632 9.254 -3.981 1.00 0.00 H ATOM 730 HZ2 LYS A 51 18.213 10.062 -3.511 1.00 0.00 H ATOM 731 HZ3 LYS A 51 19.548 10.008 -2.461 1.00 0.00 H ATOM 732 H LYS A 51 14.494 4.435 -1.066 1.00 0.00 H ATOM 733 N LYS A 52 15.978 2.779 -1.963 1.00 0.00 N ATOM 734 CA LYS A 52 17.220 2.170 -1.389 1.00 0.00 C ATOM 735 C LYS A 52 17.169 0.597 -1.620 1.00 0.00 C ATOM 736 O LYS A 52 16.342 0.159 -2.434 1.00 0.00 O ATOM 737 CB LYS A 52 17.391 2.713 0.081 1.00 0.00 C ATOM 738 CG LYS A 52 17.161 4.234 0.329 1.00 0.00 C ATOM 739 CD LYS A 52 17.117 4.709 1.806 1.00 0.00 C ATOM 740 CE LYS A 52 18.416 5.186 2.535 1.00 0.00 C ATOM 741 NZ LYS A 52 19.395 5.910 1.706 1.00 0.00 N ATOM 742 HA LYS A 52 18.145 2.462 -1.886 1.00 0.00 H ATOM 743 HB2 LYS A 52 16.686 2.171 0.711 1.00 0.00 H ATOM 744 HB3 LYS A 52 18.409 2.483 0.396 1.00 0.00 H ATOM 745 HG2 LYS A 52 17.968 4.774 -0.166 1.00 0.00 H ATOM 746 HG3 LYS A 52 16.210 4.502 -0.131 1.00 0.00 H ATOM 747 HD2 LYS A 52 16.416 5.543 1.844 1.00 0.00 H ATOM 748 HD3 LYS A 52 16.722 3.877 2.388 1.00 0.00 H ATOM 749 HE2 LYS A 52 18.912 4.305 2.944 1.00 0.00 H ATOM 750 HE3 LYS A 52 18.118 5.845 3.351 1.00 0.00 H ATOM 751 HZ1 LYS A 52 19.710 5.296 0.928 1.00 0.00 H ATOM 752 HZ2 LYS A 52 18.952 6.766 1.316 1.00 0.00 H ATOM 753 HZ3 LYS A 52 20.213 6.177 2.291 1.00 0.00 H ATOM 754 H LYS A 52 15.075 2.583 -1.486 1.00 0.00 H ATOM 755 N PRO A 53 18.013 -0.329 -1.054 1.00 0.00 N ATOM 756 CA PRO A 53 18.096 -1.746 -1.531 1.00 0.00 C ATOM 757 C PRO A 53 16.865 -2.633 -1.163 1.00 0.00 C ATOM 758 O PRO A 53 16.067 -2.965 -2.046 1.00 0.00 O ATOM 759 CB PRO A 53 19.463 -2.222 -0.997 1.00 0.00 C ATOM 760 CG PRO A 53 19.753 -1.353 0.227 1.00 0.00 C ATOM 761 CD PRO A 53 19.065 -0.017 -0.067 1.00 0.00 C ATOM 762 HA PRO A 53 18.045 -1.830 -2.617 1.00 0.00 H ATOM 763 HD3 PRO A 53 18.626 0.395 0.842 1.00 0.00 H ATOM 764 HD2 PRO A 53 19.777 0.697 -0.481 1.00 0.00 H ATOM 765 HG3 PRO A 53 20.827 -1.213 0.352 1.00 0.00 H ATOM 766 HG2 PRO A 53 19.340 -1.808 1.127 1.00 0.00 H ATOM 767 HB2 PRO A 53 19.416 -3.274 -0.715 1.00 0.00 H ATOM 768 HB3 PRO A 53 20.236 -2.084 -1.753 1.00 0.00 H ATOM 769 N TYR A 54 16.706 -2.968 0.126 1.00 0.00 N ATOM 770 CA TYR A 54 15.524 -3.700 0.671 1.00 0.00 C ATOM 771 C TYR A 54 14.546 -2.634 1.236 1.00 0.00 C ATOM 772 O TYR A 54 14.531 -2.342 2.436 1.00 0.00 O ATOM 773 CB TYR A 54 15.899 -4.826 1.702 1.00 0.00 C ATOM 774 CG TYR A 54 17.244 -4.694 2.455 1.00 0.00 C ATOM 775 CD1 TYR A 54 17.409 -3.765 3.489 1.00 0.00 C ATOM 776 CD2 TYR A 54 18.369 -5.321 1.908 1.00 0.00 C ATOM 777 CE1 TYR A 54 18.690 -3.433 3.930 1.00 0.00 C ATOM 778 CE2 TYR A 54 19.644 -4.989 2.350 1.00 0.00 C ATOM 779 CZ TYR A 54 19.807 -4.034 3.351 1.00 0.00 C ATOM 780 OH TYR A 54 21.069 -3.666 3.741 1.00 0.00 O ATOM 781 HA TYR A 54 15.036 -4.261 -0.126 1.00 0.00 H ATOM 782 HB3 TYR A 54 15.921 -5.771 1.159 1.00 0.00 H ATOM 783 HB2 TYR A 54 15.108 -4.858 2.451 1.00 0.00 H ATOM 784 HD2 TYR A 54 18.245 -6.075 1.130 1.00 0.00 H ATOM 785 HE2 TYR A 54 20.516 -5.476 1.914 1.00 0.00 H ATOM 786 HE1 TYR A 54 18.818 -2.702 4.729 1.00 0.00 H ATOM 787 HD1 TYR A 54 16.537 -3.301 3.949 1.00 0.00 H ATOM 788 HH TYR A 54 21.007 -2.984 4.456 1.00 0.00 H ATOM 789 H TYR A 54 17.458 -2.699 0.792 1.00 0.00 H ATOM 790 N GLU A 55 13.737 -2.057 0.328 1.00 0.00 N ATOM 791 CA GLU A 55 12.643 -1.122 0.691 1.00 0.00 C ATOM 792 C GLU A 55 11.307 -1.824 0.297 1.00 0.00 C ATOM 793 O GLU A 55 11.087 -2.997 0.621 1.00 0.00 O ATOM 794 CB GLU A 55 12.949 0.305 0.125 1.00 0.00 C ATOM 795 CG GLU A 55 14.094 1.076 0.822 1.00 0.00 C ATOM 796 CD GLU A 55 13.669 1.992 1.976 1.00 0.00 C ATOM 797 OE1 GLU A 55 13.416 1.487 3.093 1.00 0.00 O ATOM 798 OE2 GLU A 55 13.600 3.226 1.771 1.00 0.00 O ATOM 799 HA GLU A 55 12.549 -0.913 1.757 1.00 0.00 H ATOM 800 HB2 GLU A 55 13.210 0.198 -0.928 1.00 0.00 H ATOM 801 HB3 GLU A 55 12.041 0.902 0.214 1.00 0.00 H ATOM 802 HG2 GLU A 55 14.800 0.345 1.216 1.00 0.00 H ATOM 803 HG3 GLU A 55 14.591 1.690 0.071 1.00 0.00 H ATOM 804 H GLU A 55 13.886 -2.277 -0.677 1.00 0.00 H ATOM 805 N GLU A 56 10.358 -1.074 -0.276 1.00 0.00 N ATOM 806 CA GLU A 56 8.918 -1.123 0.101 1.00 0.00 C ATOM 807 C GLU A 56 8.368 0.253 -0.365 1.00 0.00 C ATOM 808 O GLU A 56 7.722 0.346 -1.414 1.00 0.00 O ATOM 809 CB GLU A 56 8.608 -1.420 1.615 1.00 0.00 C ATOM 810 CG GLU A 56 8.238 -2.880 1.912 1.00 0.00 C ATOM 811 CD GLU A 56 8.526 -3.347 3.339 1.00 0.00 C ATOM 812 OE1 GLU A 56 7.700 -3.090 4.241 1.00 0.00 O ATOM 813 OE2 GLU A 56 9.575 -3.989 3.566 1.00 0.00 O ATOM 814 HA GLU A 56 8.433 -1.975 -0.376 1.00 0.00 H ATOM 815 HB2 GLU A 56 9.492 -1.166 2.200 1.00 0.00 H ATOM 816 HB3 GLU A 56 7.775 -0.788 1.923 1.00 0.00 H ATOM 817 HG2 GLU A 56 7.171 -3.002 1.726 1.00 0.00 H ATOM 818 HG3 GLU A 56 8.800 -3.516 1.229 1.00 0.00 H ATOM 819 H GLU A 56 10.643 -0.417 -1.030 1.00 0.00 H ATOM 820 N VAL A 57 8.681 1.321 0.400 1.00 0.00 N ATOM 821 CA VAL A 57 8.458 2.730 -0.001 1.00 0.00 C ATOM 822 C VAL A 57 9.398 3.114 -1.182 1.00 0.00 C ATOM 823 O VAL A 57 10.581 2.759 -1.227 1.00 0.00 O ATOM 824 CB VAL A 57 8.556 3.717 1.225 1.00 0.00 C ATOM 825 CG1 VAL A 57 7.184 4.004 1.884 1.00 0.00 C ATOM 826 CG2 VAL A 57 9.587 3.365 2.332 1.00 0.00 C ATOM 827 HA VAL A 57 7.435 2.828 -0.364 1.00 0.00 H ATOM 828 HB VAL A 57 8.938 4.615 0.740 1.00 0.00 H ATOM 829 HG11 VAL A 57 6.516 4.454 1.149 1.00 0.00 H ATOM 830 HG12 VAL A 57 6.753 3.070 2.244 1.00 0.00 H ATOM 831 HG13 VAL A 57 7.320 4.689 2.721 1.00 0.00 H ATOM 832 HG21 VAL A 57 9.343 2.391 2.757 1.00 0.00 H ATOM 833 HG22 VAL A 57 10.587 3.334 1.899 1.00 0.00 H ATOM 834 HG23 VAL A 57 9.552 4.124 3.114 1.00 0.00 H ATOM 835 H VAL A 57 9.107 1.143 1.332 1.00 0.00 H ATOM 836 N THR A 58 8.802 3.810 -2.157 1.00 0.00 N ATOM 837 CA THR A 58 9.505 4.313 -3.376 1.00 0.00 C ATOM 838 C THR A 58 9.228 5.827 -3.672 1.00 0.00 C ATOM 839 O THR A 58 9.645 6.300 -4.734 1.00 0.00 O ATOM 840 CB THR A 58 9.140 3.409 -4.605 1.00 0.00 C ATOM 841 OG1 THR A 58 7.733 3.403 -4.846 1.00 0.00 O ATOM 842 CG2 THR A 58 9.620 1.945 -4.519 1.00 0.00 C ATOM 843 HA THR A 58 10.576 4.248 -3.185 1.00 0.00 H ATOM 844 HB THR A 58 9.683 3.872 -5.429 1.00 0.00 H ATOM 845 HG1 THR A 58 7.427 4.326 -5.032 1.00 0.00 H ATOM 846 HG23 THR A 58 10.694 1.926 -4.335 1.00 0.00 H ATOM 847 HG21 THR A 58 9.102 1.441 -3.703 1.00 0.00 H ATOM 848 HG22 THR A 58 9.402 1.437 -5.458 1.00 0.00 H ATOM 849 H THR A 58 7.787 4.014 -2.061 1.00 0.00 H ATOM 850 N CYS A 59 8.507 6.588 -2.803 1.00 0.00 N ATOM 851 CA CYS A 59 7.749 7.809 -3.200 1.00 0.00 C ATOM 852 C CYS A 59 6.678 7.555 -4.324 1.00 0.00 C ATOM 853 O CYS A 59 6.801 6.629 -5.137 1.00 0.00 O ATOM 854 CB CYS A 59 8.614 9.091 -3.356 1.00 0.00 C ATOM 855 SG CYS A 59 10.391 8.804 -3.570 1.00 0.00 S ATOM 856 HA CYS A 59 7.140 8.056 -2.330 1.00 0.00 H ATOM 857 HB2 CYS A 59 8.476 9.701 -2.464 1.00 0.00 H ATOM 858 HB3 CYS A 59 8.253 9.637 -4.228 1.00 0.00 H ATOM 859 H CYS A 59 8.484 6.301 -1.804 1.00 0.00 H ATOM 860 N CYS A 60 5.584 8.345 -4.332 1.00 0.00 N ATOM 861 CA CYS A 60 4.402 8.056 -5.195 1.00 0.00 C ATOM 862 C CYS A 60 3.766 9.389 -5.675 1.00 0.00 C ATOM 863 O CYS A 60 2.722 9.831 -5.186 1.00 0.00 O ATOM 864 CB CYS A 60 3.434 7.108 -4.437 1.00 0.00 C ATOM 865 SG CYS A 60 3.180 5.524 -5.269 1.00 0.00 S ATOM 866 HA CYS A 60 4.691 7.527 -6.103 1.00 0.00 H ATOM 867 HB2 CYS A 60 2.469 7.606 -4.339 1.00 0.00 H ATOM 868 HB3 CYS A 60 3.844 6.916 -3.446 1.00 0.00 H ATOM 869 H CYS A 60 5.564 9.183 -3.716 1.00 0.00 H ATOM 870 N SER A 61 4.416 10.034 -6.660 1.00 0.00 N ATOM 871 CA SER A 61 4.035 11.393 -7.129 1.00 0.00 C ATOM 872 C SER A 61 2.986 11.373 -8.288 1.00 0.00 C ATOM 873 O SER A 61 2.431 10.326 -8.635 1.00 0.00 O ATOM 874 CB SER A 61 5.364 12.121 -7.473 1.00 0.00 C ATOM 875 OG SER A 61 6.010 11.554 -8.611 1.00 0.00 O ATOM 876 HA SER A 61 3.506 11.943 -6.351 1.00 0.00 H ATOM 877 HB2 SER A 61 6.035 12.051 -6.617 1.00 0.00 H ATOM 878 HB3 SER A 61 5.147 13.169 -7.678 1.00 0.00 H ATOM 879 HG SER A 61 6.849 12.047 -8.793 1.00 0.00 H ATOM 880 H SER A 61 5.223 9.560 -7.115 1.00 0.00 H ATOM 881 N THR A 62 2.735 12.558 -8.882 1.00 0.00 N ATOM 882 CA THR A 62 2.066 12.728 -10.207 1.00 0.00 C ATOM 883 C THR A 62 0.516 12.759 -10.146 1.00 0.00 C ATOM 884 O THR A 62 -0.078 13.782 -10.498 1.00 0.00 O ATOM 885 CB THR A 62 2.621 11.934 -11.435 1.00 0.00 C ATOM 886 OG1 THR A 62 2.293 10.552 -11.359 1.00 0.00 O ATOM 887 CG2 THR A 62 4.136 12.063 -11.649 1.00 0.00 C ATOM 888 HA THR A 62 2.396 13.739 -10.444 1.00 0.00 H ATOM 889 HB THR A 62 2.130 12.399 -12.290 1.00 0.00 H ATOM 890 HG1 THR A 62 2.684 10.166 -10.535 1.00 0.00 H ATOM 891 HG23 THR A 62 4.405 13.118 -11.710 1.00 0.00 H ATOM 892 HG21 THR A 62 4.660 11.601 -10.813 1.00 0.00 H ATOM 893 HG22 THR A 62 4.415 11.562 -12.576 1.00 0.00 H ATOM 894 H THR A 62 3.030 13.419 -8.379 1.00 0.00 H ATOM 895 N ASP A 63 -0.136 11.655 -9.755 1.00 0.00 N ATOM 896 CA ASP A 63 -1.607 11.607 -9.571 1.00 0.00 C ATOM 897 C ASP A 63 -1.874 10.915 -8.188 1.00 0.00 C ATOM 898 O ASP A 63 -1.023 10.773 -7.303 1.00 0.00 O ATOM 899 CB ASP A 63 -2.297 10.873 -10.784 1.00 0.00 C ATOM 900 CG ASP A 63 -2.070 11.271 -12.254 1.00 0.00 C ATOM 901 OD1 ASP A 63 -0.943 11.652 -12.637 1.00 0.00 O ATOM 902 OD2 ASP A 63 -3.025 11.145 -13.053 1.00 0.00 O ATOM 903 HA ASP A 63 -2.045 12.605 -9.557 1.00 0.00 H ATOM 904 HB2 ASP A 63 -2.000 9.827 -10.708 1.00 0.00 H ATOM 905 HB3 ASP A 63 -3.370 10.958 -10.614 1.00 0.00 H ATOM 906 H ASP A 63 0.415 10.792 -9.572 1.00 0.00 H ATOM 907 N LYS A 64 -3.091 10.379 -8.065 1.00 0.00 N ATOM 908 CA LYS A 64 -3.315 8.943 -7.747 1.00 0.00 C ATOM 909 C LYS A 64 -2.305 7.909 -8.365 1.00 0.00 C ATOM 910 O LYS A 64 -2.555 7.279 -9.394 1.00 0.00 O ATOM 911 CB LYS A 64 -4.816 8.575 -7.998 1.00 0.00 C ATOM 912 CG LYS A 64 -5.717 9.346 -9.000 1.00 0.00 C ATOM 913 CD LYS A 64 -5.794 8.785 -10.433 1.00 0.00 C ATOM 914 CE LYS A 64 -7.204 9.024 -11.009 1.00 0.00 C ATOM 915 NZ LYS A 64 -7.266 9.039 -12.474 1.00 0.00 N ATOM 916 HA LYS A 64 -3.086 8.843 -6.686 1.00 0.00 H ATOM 917 HB2 LYS A 64 -4.820 7.536 -8.327 1.00 0.00 H ATOM 918 HB3 LYS A 64 -5.310 8.650 -7.029 1.00 0.00 H ATOM 919 HG2 LYS A 64 -6.729 9.357 -8.594 1.00 0.00 H ATOM 920 HG3 LYS A 64 -5.342 10.367 -9.064 1.00 0.00 H ATOM 921 HD2 LYS A 64 -5.056 9.287 -11.059 1.00 0.00 H ATOM 922 HD3 LYS A 64 -5.586 7.715 -10.415 1.00 0.00 H ATOM 923 HE2 LYS A 64 -7.564 9.985 -10.643 1.00 0.00 H ATOM 924 HE3 LYS A 64 -7.859 8.231 -10.648 1.00 0.00 H ATOM 925 HZ1 LYS A 64 -6.656 9.799 -12.838 1.00 0.00 H ATOM 926 HZ2 LYS A 64 -6.938 8.124 -12.843 1.00 0.00 H ATOM 927 HZ3 LYS A 64 -8.247 9.205 -12.777 1.00 0.00 H ATOM 928 H LYS A 64 -3.920 10.993 -8.198 1.00 0.00 H ATOM 929 N CYS A 65 -1.179 7.722 -7.641 1.00 0.00 N ATOM 930 CA CYS A 65 -0.290 6.527 -7.748 1.00 0.00 C ATOM 931 C CYS A 65 -0.924 5.141 -7.353 1.00 0.00 C ATOM 932 O CYS A 65 -0.365 4.091 -7.689 1.00 0.00 O ATOM 933 CB CYS A 65 0.895 6.840 -6.802 1.00 0.00 C ATOM 934 SG CYS A 65 2.352 5.823 -7.066 1.00 0.00 S ATOM 935 HA CYS A 65 -0.029 6.390 -8.797 1.00 0.00 H ATOM 936 HB2 CYS A 65 0.559 6.693 -5.776 1.00 0.00 H ATOM 937 HB3 CYS A 65 1.178 7.883 -6.945 1.00 0.00 H ATOM 938 H CYS A 65 -0.913 8.463 -6.961 1.00 0.00 H ATOM 939 N ASN A 66 -2.069 5.172 -6.640 1.00 0.00 N ATOM 940 CA ASN A 66 -2.706 4.041 -5.928 1.00 0.00 C ATOM 941 C ASN A 66 -3.047 2.832 -6.850 1.00 0.00 C ATOM 942 O ASN A 66 -3.804 3.032 -7.809 1.00 0.00 O ATOM 943 CB ASN A 66 -4.027 4.523 -5.256 1.00 0.00 C ATOM 944 CG ASN A 66 -3.935 5.742 -4.322 1.00 0.00 C ATOM 945 OD1 ASN A 66 -3.837 6.872 -4.796 1.00 0.00 O ATOM 946 ND2 ASN A 66 -3.966 5.554 -3.012 1.00 0.00 N ATOM 947 HA ASN A 66 -1.977 3.700 -5.193 1.00 0.00 H ATOM 948 HB2 ASN A 66 -4.729 4.771 -6.052 1.00 0.00 H ATOM 949 HB3 ASN A 66 -4.421 3.691 -4.672 1.00 0.00 H ATOM 950 HD22 ASN A 66 -4.049 4.592 -2.627 1.00 0.00 H ATOM 951 HD21 ASN A 66 -3.907 6.369 -2.368 1.00 0.00 H ATOM 952 H ASN A 66 -2.557 6.089 -6.585 1.00 0.00 H ATOM 953 N PRO A 67 -2.564 1.581 -6.596 1.00 0.00 N ATOM 954 CA PRO A 67 -2.916 0.407 -7.427 1.00 0.00 C ATOM 955 C PRO A 67 -4.343 -0.124 -7.074 1.00 0.00 C ATOM 956 O PRO A 67 -5.324 0.339 -7.656 1.00 0.00 O ATOM 957 CB PRO A 67 -1.688 -0.515 -7.206 1.00 0.00 C ATOM 958 CG PRO A 67 -1.186 -0.195 -5.797 1.00 0.00 C ATOM 959 CD PRO A 67 -1.496 1.292 -5.617 1.00 0.00 C ATOM 960 HA PRO A 67 -3.050 0.569 -8.496 1.00 0.00 H ATOM 961 HD3 PRO A 67 -1.841 1.492 -4.603 1.00 0.00 H ATOM 962 HD2 PRO A 67 -0.612 1.896 -5.824 1.00 0.00 H ATOM 963 HG3 PRO A 67 -0.115 -0.379 -5.717 1.00 0.00 H ATOM 964 HG2 PRO A 67 -1.713 -0.793 -5.053 1.00 0.00 H ATOM 965 HB2 PRO A 67 -1.980 -1.563 -7.278 1.00 0.00 H ATOM 966 HB3 PRO A 67 -0.914 -0.303 -7.944 1.00 0.00 H ATOM 967 N HIS A 68 -4.413 -1.072 -6.128 1.00 0.00 N ATOM 968 CA HIS A 68 -5.550 -1.992 -5.842 1.00 0.00 C ATOM 969 C HIS A 68 -5.033 -2.931 -4.667 1.00 0.00 C ATOM 970 O HIS A 68 -3.873 -2.850 -4.237 1.00 0.00 O ATOM 971 CB HIS A 68 -5.928 -2.874 -7.093 1.00 0.00 C ATOM 972 CG HIS A 68 -6.660 -2.219 -8.264 1.00 0.00 C ATOM 973 ND1 HIS A 68 -6.151 -2.167 -9.555 1.00 0.00 N ATOM 974 CD2 HIS A 68 -7.844 -1.458 -8.181 1.00 0.00 C ATOM 975 CE1 HIS A 68 -7.062 -1.321 -10.136 1.00 0.00 C ATOM 976 NE2 HIS A 68 -8.121 -0.861 -9.399 1.00 0.00 N ATOM 977 HA HIS A 68 -6.446 -1.429 -5.581 1.00 0.00 H ATOM 978 HB2 HIS A 68 -4.999 -3.287 -7.486 1.00 0.00 H ATOM 979 HB3 HIS A 68 -6.561 -3.685 -6.733 1.00 0.00 H ATOM 980 HD2 HIS A 68 -8.455 -1.354 -7.284 1.00 0.00 H ATOM 981 HE1 HIS A 68 -6.944 -1.017 -11.176 1.00 0.00 H ATOM 982 H HIS A 68 -3.574 -1.178 -5.522 1.00 0.00 H ATOM 983 N PRO A 69 -5.744 -4.011 -4.240 1.00 0.00 N ATOM 984 CA PRO A 69 -5.098 -5.344 -4.083 1.00 0.00 C ATOM 985 C PRO A 69 -4.522 -5.813 -5.439 1.00 0.00 C ATOM 986 O PRO A 69 -5.294 -5.965 -6.390 1.00 0.00 O ATOM 987 CB PRO A 69 -6.248 -6.231 -3.572 1.00 0.00 C ATOM 988 CG PRO A 69 -7.560 -5.492 -3.892 1.00 0.00 C ATOM 989 CD PRO A 69 -7.207 -4.011 -4.069 1.00 0.00 C ATOM 990 HA PRO A 69 -4.249 -5.360 -3.400 1.00 0.00 H ATOM 991 HD3 PRO A 69 -7.700 -3.597 -4.949 1.00 0.00 H ATOM 992 HD2 PRO A 69 -7.494 -3.436 -3.189 1.00 0.00 H ATOM 993 HG3 PRO A 69 -8.268 -5.613 -3.072 1.00 0.00 H ATOM 994 HG2 PRO A 69 -7.998 -5.885 -4.810 1.00 0.00 H ATOM 995 HB2 PRO A 69 -6.229 -7.197 -4.076 1.00 0.00 H ATOM 996 HB3 PRO A 69 -6.156 -6.382 -2.497 1.00 0.00 H ATOM 997 N LYS A 70 -3.182 -5.930 -5.560 1.00 0.00 N ATOM 998 CA LYS A 70 -2.527 -6.152 -6.889 1.00 0.00 C ATOM 999 C LYS A 70 -3.092 -7.426 -7.605 1.00 0.00 C ATOM 1000 O LYS A 70 -3.875 -7.211 -8.524 1.00 0.00 O ATOM 1001 CB LYS A 70 -0.997 -5.889 -6.941 1.00 0.00 C ATOM 1002 CG LYS A 70 -0.027 -6.500 -5.889 1.00 0.00 C ATOM 1003 CD LYS A 70 0.690 -7.811 -6.293 1.00 0.00 C ATOM 1004 CE LYS A 70 0.119 -9.113 -5.679 1.00 0.00 C ATOM 1005 NZ LYS A 70 0.109 -10.234 -6.633 1.00 0.00 N ATOM 1006 HA LYS A 70 -2.835 -5.336 -7.542 1.00 0.00 H ATOM 1007 HB2 LYS A 70 -0.657 -6.244 -7.914 1.00 0.00 H ATOM 1008 HB3 LYS A 70 -0.869 -4.808 -6.885 1.00 0.00 H ATOM 1009 HG2 LYS A 70 0.739 -5.756 -5.673 1.00 0.00 H ATOM 1010 HG3 LYS A 70 -0.602 -6.701 -4.985 1.00 0.00 H ATOM 1011 HD2 LYS A 70 0.635 -7.901 -7.378 1.00 0.00 H ATOM 1012 HD3 LYS A 70 1.734 -7.728 -5.989 1.00 0.00 H ATOM 1013 HE2 LYS A 70 -0.903 -8.925 -5.351 1.00 0.00 H ATOM 1014 HE3 LYS A 70 0.730 -9.391 -4.820 1.00 0.00 H ATOM 1015 HZ1 LYS A 70 -0.478 -9.984 -7.454 1.00 0.00 H ATOM 1016 HZ2 LYS A 70 1.081 -10.429 -6.947 1.00 0.00 H ATOM 1017 HZ3 LYS A 70 -0.283 -11.079 -6.169 1.00 0.00 H ATOM 1018 H LYS A 70 -2.589 -5.864 -4.708 1.00 0.00 H ATOM 1019 N GLN A 71 -2.838 -8.659 -7.123 1.00 0.00 N ATOM 1020 CA GLN A 71 -3.738 -9.867 -7.240 1.00 0.00 C ATOM 1021 C GLN A 71 -4.722 -10.163 -8.443 1.00 0.00 C ATOM 1022 O GLN A 71 -5.571 -11.057 -8.309 1.00 0.00 O ATOM 1023 CB GLN A 71 -4.299 -10.209 -5.782 1.00 0.00 C ATOM 1024 CG GLN A 71 -5.411 -11.297 -5.587 1.00 0.00 C ATOM 1025 CD GLN A 71 -5.813 -11.742 -4.156 1.00 0.00 C ATOM 1026 OE1 GLN A 71 -5.292 -11.265 -3.137 1.00 0.00 O ATOM 1027 NE2 GLN A 71 -6.742 -12.706 -4.077 1.00 0.00 N ATOM 1028 HA GLN A 71 -3.047 -10.598 -7.659 1.00 0.00 H ATOM 1029 HB2 GLN A 71 -3.444 -10.527 -5.186 1.00 0.00 H ATOM 1030 HB3 GLN A 71 -4.698 -9.280 -5.376 1.00 0.00 H ATOM 1031 HG2 GLN A 71 -6.314 -10.915 -6.064 1.00 0.00 H ATOM 1032 HG3 GLN A 71 -5.074 -12.191 -6.113 1.00 0.00 H ATOM 1033 HE22 GLN A 71 -7.166 -13.092 -4.945 1.00 0.00 H ATOM 1034 HE21 GLN A 71 -7.038 -13.068 -3.148 1.00 0.00 H ATOM 1035 H GLN A 71 -1.936 -8.792 -6.623 1.00 0.00 H ATOM 1036 N ARG A 72 -4.564 -9.601 -9.685 1.00 0.00 N ATOM 1037 CA ARG A 72 -5.648 -9.621 -10.626 1.00 0.00 C ATOM 1038 C ARG A 72 -4.083 -10.195 -10.773 1.00 0.00 C ATOM 1039 O ARG A 72 -3.256 -9.380 -11.218 1.00 0.00 O ATOM 1040 CB ARG A 72 -6.153 -8.443 -11.496 1.00 0.00 C ATOM 1041 CG ARG A 72 -6.311 -7.032 -10.897 1.00 0.00 C ATOM 1042 CD ARG A 72 -7.425 -6.809 -9.837 1.00 0.00 C ATOM 1043 NE ARG A 72 -7.067 -7.222 -8.463 1.00 0.00 N ATOM 1044 CZ ARG A 72 -7.808 -8.032 -7.680 1.00 0.00 C ATOM 1045 NH1 ARG A 72 -8.786 -8.809 -8.141 1.00 0.00 N ATOM 1046 NH2 ARG A 72 -7.545 -8.078 -6.389 1.00 0.00 N ATOM 1047 HA ARG A 72 -6.687 -9.950 -10.631 1.00 0.00 H ATOM 1048 HB2 ARG A 72 -5.457 -8.351 -12.330 1.00 0.00 H ATOM 1049 HB3 ARG A 72 -7.134 -8.733 -11.873 1.00 0.00 H ATOM 1050 HG2 ARG A 72 -5.362 -6.770 -10.430 1.00 0.00 H ATOM 1051 HG3 ARG A 72 -6.508 -6.349 -11.723 1.00 0.00 H ATOM 1052 HD2 ARG A 72 -8.303 -7.377 -10.144 1.00 0.00 H ATOM 1053 HD3 ARG A 72 -7.668 -5.747 -9.819 1.00 0.00 H ATOM 1054 HE ARG A 72 -6.175 -6.860 -8.070 1.00 0.00 H ATOM 1055 HH12 ARG A 72 -9.323 -9.413 -7.486 1.00 0.00 H ATOM 1056 HH11 ARG A 72 -9.013 -8.812 -9.156 1.00 0.00 H ATOM 1057 HH22 ARG A 72 -8.104 -8.696 -5.766 1.00 0.00 H ATOM 1058 HH21 ARG A 72 -6.779 -7.497 -5.993 1.00 0.00 H ATOM 1059 H ARG A 72 -3.658 -9.160 -9.945 1.00 0.00 H ATOM 1060 N PRO A 73 -3.900 -11.646 -11.030 1.00 0.00 N ATOM 1061 CA PRO A 73 -3.437 -12.503 -9.953 1.00 0.00 C ATOM 1062 C PRO A 73 -2.704 -12.158 -11.347 1.00 0.00 C ATOM 1063 O PRO A 73 -1.591 -11.667 -11.147 1.00 0.00 O ATOM 1064 CB PRO A 73 -3.911 -13.974 -9.835 1.00 0.00 C ATOM 1065 CG PRO A 73 -5.054 -14.003 -10.836 1.00 0.00 C ATOM 1066 CD PRO A 73 -5.184 -12.496 -11.103 1.00 0.00 C ATOM 1067 HA PRO A 73 -3.317 -12.401 -8.874 1.00 0.00 H ATOM 1068 HD3 PRO A 73 -5.599 -12.376 -12.104 1.00 0.00 H ATOM 1069 HD2 PRO A 73 -5.884 -12.094 -10.371 1.00 0.00 H ATOM 1070 HG3 PRO A 73 -5.964 -14.421 -10.405 1.00 0.00 H ATOM 1071 HG2 PRO A 73 -4.793 -14.556 -11.738 1.00 0.00 H ATOM 1072 HB2 PRO A 73 -3.120 -14.671 -10.112 1.00 0.00 H ATOM 1073 HB3 PRO A 73 -4.258 -14.202 -8.827 1.00 0.00 H ATOM 1074 N GLY A 74 -3.237 -11.679 -12.402 1.00 0.00 N ATOM 1075 CA GLY A 74 -3.518 -12.498 -13.608 1.00 0.00 C ATOM 1076 C GLY A 74 -2.375 -13.214 -14.336 1.00 0.00 C ATOM 1077 O GLY A 74 -1.439 -12.542 -14.831 1.00 0.00 O ATOM 1078 HA3 GLY A 74 -3.988 -11.836 -14.335 1.00 0.00 H ATOM 1079 HA2 GLY A 74 -4.229 -13.267 -13.307 1.00 0.00 H ATOM 1080 OXT GLY A 74 -2.431 -14.457 -14.455 1.00 0.00 O ATOM 1081 H GLY A 74 -3.486 -10.669 -12.418 1.00 0.00 H TER 1082 GLY A 74 HETATM 1083 N TYR A 1 -4.106 -16.173 25.078 1.00 0.24 N HETATM 1084 CA TYR A 1 -2.969 -17.006 24.634 1.00 0.07 C HETATM 1085 CB TYR A 1 -3.496 -18.367 24.071 1.00 0.04 C HETATM 1086 CG TYR A 1 -4.136 -19.406 25.007 1.00 -0.05 C HETATM 1087 CD1 TYR A 1 -3.365 -20.006 26.003 1.00 -0.07 C HETATM 1088 CE1 TYR A 1 -3.866 -21.094 26.721 1.00 -0.04 C HETATM 1089 CZ TYR A 1 -5.145 -21.578 26.446 1.00 0.08 C HETATM 1090 CE2 TYR A 1 -5.925 -20.975 25.469 1.00 -0.04 C HETATM 1091 CD2 TYR A 1 -5.428 -19.887 24.748 1.00 -0.07 C HETATM 1092 H8 TYR A 1 -6.040 -19.415 23.989 1.00 0.05 H HETATM 1093 H10 TYR A 1 -6.922 -21.349 25.265 1.00 0.05 H HETATM 1094 OH TYR A 1 -5.620 -22.673 27.128 1.00 -0.34 O HETATM 1095 H11 TYR A 1 -4.968 -22.961 27.756 1.00 0.25 H HETATM 1096 H9 TYR A 1 -3.262 -21.561 27.490 1.00 0.05 H HETATM 1097 H7 TYR A 1 -2.373 -19.626 26.220 1.00 0.05 H HETATM 1098 H5 TYR A 1 -2.639 -18.862 23.591 1.00 0.05 H HETATM 1099 H6 TYR A 1 -4.251 -18.121 23.310 1.00 0.05 H HETATM 1100 C TYR A 1 -2.123 -16.125 23.662 1.00 0.23 C HETATM 1101 O TYR A 1 -1.687 -15.027 24.022 1.00 -0.39 O HETATM 1102 N TYR A 1 -1.888 -16.548 22.413 1.00 -0.26 N HETATM 1103 CA TYR A 1 -2.566 -15.967 21.214 1.00 0.13 C HETATM 1104 CB TYR A 1 -3.517 -17.023 20.575 1.00 -0.01 C HETATM 1105 CG TYR A 1 -2.798 -18.252 19.947 1.00 -0.02 C HETATM 1106 CD TYR A 1 -3.347 -19.641 20.334 1.00 0.06 C HETATM 1107 NE TYR A 1 -4.351 -20.140 19.360 1.00 -0.27 N HETATM 1108 CZ TYR A 1 -4.417 -21.404 18.901 1.00 0.29 C HETATM 1109 NH2 TYR A 1 -5.355 -21.693 18.019 1.00 -0.28 N HETATM 1110 H23 TYR A 1 -6.007 -20.961 17.702 1.00 0.26 H HETATM 1111 H24 TYR A 1 -5.435 -22.650 17.648 1.00 0.26 H HETATM 1112 NH1 TYR A 1 -3.595 -22.383 19.283 1.00 -0.28 N HETATM 1113 H21 TYR A 1 -3.703 -23.329 18.890 1.00 0.26 H HETATM 1114 H22 TYR A 1 -2.852 -22.193 19.971 1.00 0.26 H HETATM 1115 H20 TYR A 1 -5.049 -19.469 19.009 1.00 0.26 H HETATM 1116 H18 TYR A 1 -3.819 -19.572 21.325 1.00 0.07 H HETATM 1117 H19 TYR A 1 -2.510 -20.353 20.376 1.00 0.07 H HETATM 1118 H16 TYR A 1 -1.742 -18.213 20.252 1.00 0.03 H HETATM 1119 H17 TYR A 1 -2.868 -18.158 18.853 1.00 0.03 H HETATM 1120 H14 TYR A 1 -4.099 -16.526 19.785 1.00 0.03 H HETATM 1121 H15 TYR A 1 -4.198 -17.388 21.358 1.00 0.03 H HETATM 1122 C TYR A 1 -3.245 -14.547 21.304 1.00 0.20 C HETATM 1123 O TYR A 1 -4.284 -14.321 21.935 1.00 -0.39 O HETATM 1124 N TYR A 1 -2.583 -13.630 20.603 1.00 -0.27 N HETATM 1125 CA TYR A 1 -3.086 -12.314 20.187 1.00 0.12 C HETATM 1126 C TYR A 1 -1.847 -11.451 19.885 1.00 0.20 C HETATM 1127 O TYR A 1 -1.560 -10.562 20.689 1.00 -0.39 O HETATM 1128 N TYR A 1 -1.028 -11.565 18.816 1.00 -0.26 N HETATM 1129 CA TYR A 1 -1.044 -12.582 17.721 1.00 0.14 C HETATM 1130 CB TYR A 1 -1.044 -14.155 17.946 1.00 0.00 C HETATM 1131 CG TYR A 1 -2.154 -15.087 17.366 1.00 -0.04 C HETATM 1132 CD1 TYR A 1 -3.562 -14.934 17.455 1.00 0.02 C HETATM 1133 NE1 TYR A 1 -4.264 -15.986 16.831 1.00 -0.29 N HETATM 1134 CE2 TYR A 1 -3.267 -16.807 16.347 1.00 0.06 C HETATM 1135 CD2 TYR A 1 -1.985 -16.288 16.672 1.00 -0.02 C HETATM 1136 CE3 TYR A 1 -0.818 -17.016 16.315 1.00 -0.07 C HETATM 1137 CZ3 TYR A 1 -0.959 -18.215 15.618 1.00 -0.08 C HETATM 1138 CH2 TYR A 1 -2.224 -18.719 15.290 1.00 -0.08 C HETATM 1139 CZ2 TYR A 1 -3.388 -18.038 15.651 1.00 -0.04 C HETATM 1140 H35 TYR A 1 -4.364 -18.441 15.405 1.00 0.05 H HETATM 1141 H37 TYR A 1 -2.300 -19.654 14.747 1.00 0.05 H HETATM 1142 H36 TYR A 1 -0.074 -18.767 15.325 1.00 0.05 H HETATM 1143 H34 TYR A 1 0.166 -16.645 16.580 1.00 0.05 H HETATM 1144 H33 TYR A 1 -5.283 -16.112 16.755 1.00 0.22 H HETATM 1145 H32 TYR A 1 -4.048 -14.095 17.951 1.00 0.08 H HETATM 1146 H30 TYR A 1 -1.056 -14.307 19.035 1.00 0.04 H HETATM 1147 H31 TYR A 1 -0.092 -14.522 17.535 1.00 0.04 H HETATM 1148 C TYR A 1 -1.855 -12.027 16.533 1.00 0.21 C HETATM 1149 O TYR A 1 -3.086 -11.998 16.594 1.00 -0.39 O HETATM 1150 N TYR A 1 -1.161 -11.677 15.433 1.00 -0.26 N HETATM 1151 CA TYR A 1 -1.262 -12.444 14.158 1.00 0.13 C HETATM 1152 CB TYR A 1 -0.184 -13.588 14.155 1.00 -0.01 C HETATM 1153 CG TYR A 1 1.249 -13.260 13.667 1.00 -0.04 C HETATM 1154 CD TYR A 1 2.087 -12.219 14.441 1.00 -0.01 C HETATM 1155 CE TYR A 1 2.432 -10.942 13.649 1.00 -0.04 C HETATM 1156 NZ TYR A 1 1.312 -10.016 13.412 1.00 0.22 N HETATM 1157 H48 TYR A 1 1.640 -9.219 12.890 1.00 0.20 H HETATM 1158 H49 TYR A 1 0.938 -9.708 14.296 1.00 0.20 H HETATM 1159 H50 TYR A 1 0.591 -10.487 12.888 1.00 0.20 H HETATM 1160 H46 TYR A 1 2.830 -11.248 12.670 1.00 0.08 H HETATM 1161 H47 TYR A 1 3.208 -10.398 14.207 1.00 0.08 H HETATM 1162 H44 TYR A 1 3.030 -12.697 14.745 1.00 0.03 H HETATM 1163 H45 TYR A 1 1.521 -11.923 15.336 1.00 0.03 H HETATM 1164 H42 TYR A 1 1.161 -12.897 12.632 1.00 0.03 H HETATM 1165 H43 TYR A 1 1.816 -14.202 13.678 1.00 0.03 H HETATM 1166 H40 TYR A 1 -0.568 -14.393 13.512 1.00 0.03 H HETATM 1167 H41 TYR A 1 -0.098 -13.954 15.189 1.00 0.03 H HETATM 1168 C TYR A 1 -2.686 -12.923 13.716 1.00 0.20 C HETATM 1169 O TYR A 1 -3.148 -13.931 14.251 1.00 -0.39 O HETATM 1170 N TYR A 1 -3.485 -12.330 12.795 1.00 -0.26 N HETATM 1171 CA TYR A 1 -3.105 -11.248 11.833 1.00 0.14 C HETATM 1172 CB TYR A 1 -3.004 -9.865 12.555 1.00 0.01 C HETATM 1173 CG TYR A 1 -3.236 -8.629 11.683 1.00 -0.00 C HETATM 1174 ND1 TYR A 1 -4.415 -8.321 11.011 1.00 -0.33 N HETATM 1175 CE1 TYR A 1 -4.047 -7.141 10.422 1.00 0.09 C HETATM 1176 NE2 TYR A 1 -2.793 -6.636 10.645 1.00 -0.28 N HETATM 1177 CD2 TYR A 1 -2.279 -7.621 11.468 1.00 0.03 C HETATM 1178 H55 TYR A 1 -1.275 -7.617 11.890 1.00 0.07 H HETATM 1179 H57 TYR A 1 -2.357 -5.769 10.298 1.00 0.24 H HETATM 1180 H56 TYR A 1 -4.747 -6.607 9.780 1.00 0.12 H HETATM 1181 H53 TYR A 1 -1.996 -9.786 12.988 1.00 0.04 H HETATM 1182 H54 TYR A 1 -3.752 -9.852 13.361 1.00 0.04 H HETATM 1183 C TYR A 1 -2.058 -11.693 10.746 1.00 0.21 C HETATM 1184 O TYR A 1 -1.893 -12.898 10.529 1.00 -0.39 O HETATM 1185 N TYR A 1 -1.479 -10.776 9.947 1.00 -0.26 N HETATM 1186 H58 TYR A 1 -1.290 -9.864 10.311 1.00 0.19 H HETATM 1187 CA TYR A 1 -1.112 -11.084 8.533 1.00 0.14 C HETATM 1188 CB TYR A 1 -2.306 -10.593 7.658 1.00 0.00 C HETATM 1189 CG TYR A 1 -3.480 -11.575 7.571 1.00 -0.04 C HETATM 1190 CD1 TYR A 1 -4.673 -11.518 8.315 1.00 0.02 C HETATM 1191 NE1 TYR A 1 -5.454 -12.674 8.139 1.00 -0.29 N HETATM 1192 CE2 TYR A 1 -4.694 -13.463 7.293 1.00 0.06 C HETATM 1193 CD2 TYR A 1 -3.493 -12.803 6.946 1.00 -0.02 C HETATM 1194 CE3 TYR A 1 -2.490 -13.475 6.207 1.00 -0.07 C HETATM 1195 CZ3 TYR A 1 -2.727 -14.785 5.800 1.00 -0.08 C HETATM 1196 CH2 TYR A 1 -3.920 -15.440 6.126 1.00 -0.08 C HETATM 1197 CZ2 TYR A 1 -4.909 -14.804 6.889 1.00 -0.04 C HETATM 1198 H65 TYR A 1 -5.818 -15.326 7.164 1.00 0.05 H HETATM 1199 H67 TYR A 1 -4.082 -16.456 5.783 1.00 0.05 H HETATM 1200 H66 TYR A 1 -1.974 -15.307 5.220 1.00 0.05 H HETATM 1201 H64 TYR A 1 -1.557 -12.980 5.963 1.00 0.05 H HETATM 1202 H63 TYR A 1 -6.377 -12.885 8.545 1.00 0.22 H HETATM 1203 H62 TYR A 1 -4.957 -10.680 8.950 1.00 0.08 H HETATM 1204 H60 TYR A 1 -1.933 -10.413 6.639 1.00 0.04 H HETATM 1205 H61 TYR A 1 -2.679 -9.650 8.084 1.00 0.04 H HETATM 1206 C TYR A 1 0.389 -10.690 8.263 1.00 0.21 C HETATM 1207 O TYR A 1 1.223 -11.452 8.753 1.00 -0.39 O HETATM 1208 N TYR A 1 0.960 -9.620 7.655 1.00 -0.26 N HETATM 1209 H68 TYR A 1 1.921 -9.461 7.882 1.00 0.19 H HETATM 1210 CA TYR A 1 0.359 -8.642 6.693 1.00 0.13 C HETATM 1211 CB TYR A 1 0.377 -9.152 5.191 1.00 -0.01 C HETATM 1212 CG2 TYR A 1 -0.291 -10.480 4.769 1.00 -0.06 C HETATM 1213 H74 TYR A 1 -1.303 -10.534 5.198 1.00 0.02 H HETATM 1214 H75 TYR A 1 0.309 -11.325 5.137 1.00 0.02 H HETATM 1215 H76 TYR A 1 -0.355 -10.526 3.672 1.00 0.02 H HETATM 1216 CG1 TYR A 1 1.786 -9.154 4.552 1.00 -0.06 C HETATM 1217 H71 TYR A 1 1.718 -9.518 3.516 1.00 0.02 H HETATM 1218 H72 TYR A 1 2.450 -9.814 5.130 1.00 0.02 H HETATM 1219 H73 TYR A 1 2.192 -8.132 4.556 1.00 0.02 H HETATM 1220 H70 TYR A 1 -0.196 -8.378 4.660 1.00 0.03 H HETATM 1221 C TYR A 1 -0.773 -7.729 7.309 1.00 0.20 C HETATM 1222 O TYR A 1 -1.040 -7.864 8.502 1.00 -0.39 O HETATM 1223 N TYR A 1 -1.490 -6.730 6.749 1.00 -0.26 N HETATM 1224 H77 TYR A 1 -2.358 -6.518 7.198 1.00 0.19 H HETATM 1225 CA TYR A 1 -1.164 -5.902 5.555 1.00 0.14 C HETATM 1226 CB TYR A 1 0.274 -5.291 5.363 1.00 0.02 C HETATM 1227 CG TYR A 1 1.202 -5.032 6.559 1.00 -0.05 C HETATM 1228 CD1 TYR A 1 0.733 -4.411 7.718 1.00 -0.07 C HETATM 1229 CE1 TYR A 1 1.522 -4.377 8.863 1.00 -0.04 C HETATM 1230 CZ TYR A 1 2.798 -4.935 8.847 1.00 0.08 C HETATM 1231 CE2 TYR A 1 3.302 -5.490 7.672 1.00 -0.04 C HETATM 1232 CD2 TYR A 1 2.511 -5.531 6.529 1.00 -0.07 C HETATM 1233 H82 TYR A 1 2.908 -5.950 5.612 1.00 0.05 H HETATM 1234 H84 TYR A 1 4.309 -5.889 7.649 1.00 0.05 H HETATM 1235 OH TYR A 1 3.536 -4.975 10.000 1.00 -0.34 O HETATM 1236 H85 TYR A 1 3.050 -4.556 10.700 1.00 0.25 H HETATM 1237 H83 TYR A 1 1.144 -3.916 9.768 1.00 0.05 H HETATM 1238 H81 TYR A 1 -0.250 -3.954 7.726 1.00 0.05 H HETATM 1239 H79 TYR A 1 0.135 -4.321 4.862 1.00 0.05 H HETATM 1240 H80 TYR A 1 0.815 -5.975 4.693 1.00 0.05 H HETATM 1241 C TYR A 1 -1.754 -6.426 4.217 1.00 0.21 C HETATM 1242 O TYR A 1 -0.996 -6.719 3.291 1.00 -0.39 O HETATM 1243 N TYR A 1 -3.089 -6.488 4.034 1.00 -0.26 N HETATM 1244 H86 TYR A 1 -3.699 -6.495 4.827 1.00 0.19 H HETATM 1245 CA TYR A 1 -3.662 -6.546 2.662 1.00 0.14 C HETATM 1246 CB TYR A 1 -3.879 -7.940 1.986 1.00 0.02 C HETATM 1247 CG TYR A 1 -3.934 -9.281 2.739 1.00 -0.05 C HETATM 1248 CD1 TYR A 1 -5.070 -9.643 3.473 1.00 -0.07 C HETATM 1249 CE1 TYR A 1 -5.290 -10.981 3.800 1.00 -0.04 C HETATM 1250 CZ TYR A 1 -4.369 -11.957 3.421 1.00 0.08 C HETATM 1251 CE2 TYR A 1 -3.202 -11.588 2.757 1.00 -0.04 C HETATM 1252 CD2 TYR A 1 -2.989 -10.258 2.414 1.00 -0.07 C HETATM 1253 H91 TYR A 1 -2.083 -9.976 1.890 1.00 0.05 H HETATM 1254 H93 TYR A 1 -2.460 -12.338 2.508 1.00 0.05 H HETATM 1255 OH TYR A 1 -4.641 -13.285 3.640 1.00 -0.34 O HETATM 1256 H94 TYR A 1 -5.468 -13.366 4.101 1.00 0.25 H HETATM 1257 H92 TYR A 1 -6.180 -11.263 4.351 1.00 0.05 H HETATM 1258 H90 TYR A 1 -5.778 -8.884 3.787 1.00 0.05 H HETATM 1259 H88 TYR A 1 -3.061 -8.045 1.258 1.00 0.05 H HETATM 1260 H89 TYR A 1 -4.838 -7.862 1.452 1.00 0.05 H HETATM 1261 C TYR A 1 -4.902 -5.630 2.482 1.00 0.21 C HETATM 1262 O TYR A 1 -5.963 -5.811 3.086 1.00 -0.39 O HETATM 1263 N TYR A 1 -4.750 -4.766 1.469 1.00 -0.26 N HETATM 1264 H95 TYR A 1 -3.849 -4.346 1.366 1.00 0.19 H HETATM 1265 CA TYR A 1 -5.792 -4.371 0.482 1.00 0.16 C HETATM 1266 CB TYR A 1 -5.111 -3.746 -0.794 1.00 0.09 C HETATM 1267 CG2 TYR A 1 -5.518 -2.296 -1.085 1.00 -0.03 C HETATM 1268 H99 TYR A 1 -4.998 -1.943 -1.988 1.00 0.03 H HETATM 1269 H100 TYR A 1 -5.243 -1.659 -0.231 1.00 0.03 H HETATM 1270 H101 TYR A 1 -6.605 -2.245 -1.245 1.00 0.03 H HETATM 1271 OG1 TYR A 1 -3.683 -3.828 -0.827 1.00 -0.39 O HETATM 1272 H98 TYR A 1 -3.414 -4.721 -0.648 1.00 0.21 H HETATM 1273 H97 TYR A 1 -5.475 -4.349 -1.639 1.00 0.06 H HETATM 1274 C TYR A 1 -6.902 -5.383 0.026 1.00 0.21 C HETATM 1275 O TYR A 1 -7.902 -4.916 -0.529 1.00 -0.39 O HETATM 1276 N TYR A 1 -6.763 -6.716 0.242 1.00 -0.26 N HETATM 1277 H102 TYR A 1 -5.862 -7.050 0.518 1.00 0.19 H HETATM 1278 CA TYR A 1 -7.858 -7.717 0.097 1.00 0.14 C HETATM 1279 CB TYR A 1 -7.520 -9.028 0.861 1.00 0.04 C HETATM 1280 SG TYR A 1 -8.943 -10.162 1.069 1.00 -0.09 S HETATM 1281 SG TYR A 1 -10.341 -9.441 2.372 1.00 -0.09 S HETATM 1282 CB TYR A 1 -11.856 -8.770 1.590 1.00 0.04 C HETATM 1283 CA TYR A 1 -11.633 -7.700 0.477 1.00 0.14 C HETATM 1284 N TYR A 1 -10.252 -7.726 -0.035 1.00 -0.26 N HETATM 1285 H106 TYR A 1 -10.085 -8.115 -0.941 1.00 0.19 H HETATM 1286 C TYR A 1 -9.216 -7.253 0.658 1.00 0.20 C HETATM 1287 O TYR A 1 -9.314 -6.588 1.700 1.00 -0.39 O HETATM 1288 C TYR A 1 -12.134 -6.228 0.727 1.00 0.21 C HETATM 1289 O TYR A 1 -12.363 -5.865 1.885 1.00 -0.39 O HETATM 1290 N TYR A 1 -12.306 -5.354 -0.316 1.00 -0.25 N HETATM 1291 CA TYR A 1 -12.822 -3.970 -0.164 1.00 0.13 C HETATM 1292 H110 TYR A 1 -12.094 -3.399 0.431 1.00 0.08 H HETATM 1293 C TYR A 1 -14.190 -3.803 0.536 1.00 0.20 C HETATM 1294 O TYR A 1 -14.892 -4.760 0.874 1.00 -0.39 O HETATM 1295 N TYR A 1 -14.658 -2.549 0.556 1.00 -0.26 N HETATM 1296 H117 TYR A 1 -14.982 -2.157 -0.305 1.00 0.19 H HETATM 1297 CA TYR A 1 -14.727 -1.711 1.762 1.00 0.14 C HETATM 1298 CB TYR A 1 -14.210 -0.298 1.383 1.00 0.04 C HETATM 1299 CG TYR A 1 -14.006 0.655 2.569 1.00 0.04 C HETATM 1300 OD1 TYR A 1 -13.208 0.337 3.480 1.00 -0.57 O HETATM 1301 OD2 TYR A 1 -14.597 1.755 2.546 1.00 -0.57 O HETATM 1302 H119 TYR A 1 -14.939 0.160 0.698 1.00 0.05 H HETATM 1303 H120 TYR A 1 -13.245 -0.414 0.868 1.00 0.05 H HETATM 1304 C TYR A 1 -16.121 -1.666 2.464 1.00 0.21 C HETATM 1305 O TYR A 1 -16.111 -1.516 3.683 1.00 -0.39 O HETATM 1306 N TYR A 1 -17.338 -1.826 1.937 1.00 -0.26 N HETATM 1307 H121 TYR A 1 -18.076 -1.963 2.598 1.00 0.19 H HETATM 1308 CA TYR A 1 -17.750 -1.830 0.516 1.00 0.16 C HETATM 1309 CB TYR A 1 -18.301 -3.264 0.167 1.00 0.09 C HETATM 1310 CG2 TYR A 1 -18.378 -4.429 1.215 1.00 -0.03 C HETATM 1311 H125 TYR A 1 -18.796 -5.327 0.735 1.00 0.03 H HETATM 1312 H126 TYR A 1 -19.024 -4.127 2.053 1.00 0.03 H HETATM 1313 H127 TYR A 1 -17.369 -4.651 1.592 1.00 0.03 H HETATM 1314 OG1 TYR A 1 -17.481 -3.737 -0.897 1.00 -0.39 O HETATM 1315 H124 TYR A 1 -16.619 -3.951 -0.560 1.00 0.21 H HETATM 1316 H123 TYR A 1 -19.328 -3.116 -0.197 1.00 0.06 H HETATM 1317 C TYR A 1 -18.757 -0.630 0.279 1.00 0.21 C HETATM 1318 O TYR A 1 -19.251 -0.059 1.268 1.00 -0.39 O HETATM 1319 N TYR A 1 -19.130 -0.177 -0.967 1.00 -0.25 N HETATM 1320 CA TYR A 1 -20.019 0.995 -1.166 1.00 0.13 C HETATM 1321 H128 TYR A 1 -19.880 1.672 -0.310 1.00 0.08 H HETATM 1322 C TYR A 1 -21.540 0.659 -1.195 1.00 0.20 C HETATM 1323 O TYR A 1 -22.211 0.873 -0.178 1.00 -0.39 O HETATM 1324 N TYR A 1 -22.048 0.033 -2.289 1.00 -0.26 N HETATM 1325 H135 TYR A 1 -21.677 0.261 -3.189 1.00 0.19 H HETATM 1326 CA TYR A 1 -23.133 -0.976 -2.197 1.00 0.15 C HETATM 1327 CB TYR A 1 -22.802 -2.074 -1.114 1.00 0.02 C HETATM 1328 CG TYR A 1 -23.966 -2.778 -0.438 1.00 -0.05 C HETATM 1329 CD1 TYR A 1 -24.635 -3.789 -1.122 1.00 -0.07 C HETATM 1330 CE1 TYR A 1 -25.814 -4.315 -0.609 1.00 -0.04 C HETATM 1331 CZ TYR A 1 -26.327 -3.829 0.593 1.00 0.08 C HETATM 1332 CE2 TYR A 1 -25.648 -2.840 1.296 1.00 -0.04 C HETATM 1333 CD2 TYR A 1 -24.461 -2.318 0.791 1.00 -0.07 C HETATM 1334 H140 TYR A 1 -23.921 -1.559 1.345 1.00 0.05 H HETATM 1335 H142 TYR A 1 -26.043 -2.476 2.237 1.00 0.05 H HETATM 1336 OH TYR A 1 -27.527 -4.293 1.052 1.00 -0.34 O HETATM 1337 H143 TYR A 1 -27.854 -4.960 0.461 1.00 0.25 H HETATM 1338 H141 TYR A 1 -26.334 -5.102 -1.142 1.00 0.05 H HETATM 1339 H139 TYR A 1 -24.235 -4.166 -2.056 1.00 0.05 H HETATM 1340 H137 TYR A 1 -22.210 -1.588 -0.325 1.00 0.05 H HETATM 1341 H138 TYR A 1 -22.193 -2.846 -1.606 1.00 0.05 H HETATM 1342 C TYR A 1 -24.567 -0.358 -2.243 1.00 0.26 C HETATM 1343 O TYR A 1 -25.351 -0.722 -3.149 1.00 -0.37 O HETATM 1344 O1 TYR A 1 -24.948 0.538 -1.337 1.00 -0.29 O HETATM 1345 H144 TYR A 1 -24.235 0.696 -0.730 1.00 0.25 H HETATM 1346 H136 TYR A 1 -23.074 -1.530 -3.146 1.00 0.08 H HETATM 1347 CB TYR A 1 -19.465 1.708 -2.419 1.00 -0.01 C HETATM 1348 CG TYR A 1 -18.475 0.735 -3.064 1.00 -0.03 C HETATM 1349 CD TYR A 1 -18.546 -0.578 -2.270 1.00 0.04 C HETATM 1350 H133 TYR A 1 -19.191 -1.309 -2.780 1.00 0.05 H HETATM 1351 H134 TYR A 1 -17.543 -1.007 -2.133 1.00 0.05 H HETATM 1352 H131 TYR A 1 -18.752 0.556 -4.114 1.00 0.03 H HETATM 1353 H132 TYR A 1 -17.457 1.148 -3.019 1.00 0.03 H HETATM 1354 H129 TYR A 1 -18.953 2.639 -2.133 1.00 0.03 H HETATM 1355 H130 TYR A 1 -20.282 1.939 -3.118 1.00 0.03 H HETATM 1356 H122 TYR A 1 -16.867 -1.651 -0.114 1.00 0.08 H HETATM 1357 H118 TYR A 1 -14.027 -2.139 2.495 1.00 0.08 H HETATM 1358 CB TYR A 1 -12.840 -3.413 -1.620 1.00 -0.01 C HETATM 1359 CG TYR A 1 -12.681 -4.621 -2.524 1.00 -0.03 C HETATM 1360 CD TYR A 1 -11.853 -5.594 -1.698 1.00 0.04 C HETATM 1361 H115 TYR A 1 -12.051 -6.633 -2.001 1.00 0.05 H HETATM 1362 H116 TYR A 1 -10.779 -5.381 -1.801 1.00 0.05 H HETATM 1363 H113 TYR A 1 -13.661 -5.055 -2.772 1.00 0.03 H HETATM 1364 H114 TYR A 1 -12.155 -4.349 -3.451 1.00 0.03 H HETATM 1365 H111 TYR A 1 -12.009 -2.709 -1.772 1.00 0.03 H HETATM 1366 H112 TYR A 1 -13.794 -2.904 -1.824 1.00 0.03 H HETATM 1367 H107 TYR A 1 -12.258 -8.053 -0.357 1.00 0.08 H HETATM 1368 H108 TYR A 1 -12.405 -9.612 1.143 1.00 0.04 H HETATM 1369 H109 TYR A 1 -12.468 -8.311 2.381 1.00 0.04 H HETATM 1370 H104 TYR A 1 -7.144 -8.759 1.859 1.00 0.04 H HETATM 1371 H105 TYR A 1 -6.734 -9.559 0.304 1.00 0.04 H HETATM 1372 H103 TYR A 1 -7.973 -7.936 -0.975 1.00 0.08 H HETATM 1373 H96 TYR A 1 -6.345 -3.559 0.978 1.00 0.08 H HETATM 1374 H87 TYR A 1 -2.880 -6.081 2.044 1.00 0.08 H HETATM 1375 H78 TYR A 1 -1.764 -5.001 5.751 1.00 0.08 H HETATM 1376 H69 TYR A 1 1.162 -7.893 6.629 1.00 0.08 H HETATM 1377 H59 TYR A 1 -1.120 -12.178 8.423 1.00 0.08 H HETATM 1378 H52 TYR A 1 -4.011 -11.120 11.222 1.00 0.08 H HETATM 1379 H51 TYR A 1 -4.431 -12.650 12.754 1.00 0.19 H HETATM 1380 H39 TYR A 1 -0.956 -11.738 13.372 1.00 0.08 H HETATM 1381 H38 TYR A 1 -0.560 -10.879 15.472 1.00 0.19 H HETATM 1382 H29 TYR A 1 -0.015 -12.475 17.348 1.00 0.08 H HETATM 1383 H28 TYR A 1 -0.311 -10.872 18.748 1.00 0.19 H HETATM 1384 H26 TYR A 1 -3.678 -11.860 20.995 1.00 0.08 H HETATM 1385 H27 TYR A 1 -3.710 -12.412 19.286 1.00 0.08 H HETATM 1386 H25 TYR A 1 -1.648 -13.860 20.332 1.00 0.19 H HETATM 1387 H13 TYR A 1 -1.751 -15.822 20.489 1.00 0.08 H HETATM 1388 H12 TYR A 1 -1.228 -17.287 22.276 1.00 0.19 H HETATM 1389 H4 TYR A 1 -2.337 -17.241 25.503 1.00 0.11 H HETATM 1390 H1 TYR A 1 -4.684 -16.703 25.711 1.00 0.20 H HETATM 1391 H2 TYR A 1 -4.652 -15.896 24.277 1.00 0.20 H HETATM 1392 H3 TYR A 1 -3.758 -15.352 25.548 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 43 42 309 CONECT 216 215 637 CONECT 309 43 308 CONECT 427 426 479 CONECT 479 427 478 CONECT 637 216 636 CONECT 681 680 855 CONECT 855 681 854 CONECT 865 864 934 CONECT 934 865 933 CONECT 1083 1084 1390 1391 1392 CONECT 1084 1083 1085 1100 1389 CONECT 1085 1084 1086 1098 1099 CONECT 1086 1085 1087 1091 CONECT 1087 1086 1088 1097 CONECT 1088 1087 1089 1096 CONECT 1089 1088 1090 1094 CONECT 1090 1089 1091 1093 CONECT 1091 1086 1090 1092 CONECT 1092 1091 CONECT 1093 1090 CONECT 1094 1089 1095 CONECT 1095 1094 CONECT 1096 1088 CONECT 1097 1087 CONECT 1098 1085 CONECT 1099 1085 CONECT 1100 1084 1101 1102 CONECT 1101 1100 CONECT 1102 1100 1103 1388 CONECT 1103 1102 1104 1122 1387 CONECT 1104 1103 1105 1120 1121 CONECT 1105 1104 1106 1118 1119 CONECT 1106 1105 1107 1116 1117 CONECT 1107 1106 1108 1115 CONECT 1108 1107 1109 1112 CONECT 1109 1108 1110 1111 CONECT 1110 1109 CONECT 1111 1109 CONECT 1112 1108 1113 1114 CONECT 1113 1112 CONECT 1114 1112 CONECT 1115 1107 CONECT 1116 1106 CONECT 1117 1106 CONECT 1118 1105 CONECT 1119 1105 CONECT 1120 1104 CONECT 1121 1104 CONECT 1122 1103 1123 1124 CONECT 1123 1122 CONECT 1124 1122 1125 1386 CONECT 1125 1124 1126 1384 1385 CONECT 1126 1125 1127 1128 CONECT 1127 1126 CONECT 1128 1126 1129 1383 CONECT 1129 1128 1130 1148 1382 CONECT 1130 1129 1131 1146 1147 CONECT 1131 1130 1132 1135 CONECT 1132 1131 1133 1145 CONECT 1133 1132 1134 1144 CONECT 1134 1133 1135 1139 CONECT 1135 1131 1134 1136 CONECT 1136 1135 1137 1143 CONECT 1137 1136 1138 1142 CONECT 1138 1137 1139 1141 CONECT 1139 1134 1138 1140 CONECT 1140 1139 CONECT 1141 1138 CONECT 1142 1137 CONECT 1143 1136 CONECT 1144 1133 CONECT 1145 1132 CONECT 1146 1130 CONECT 1147 1130 CONECT 1148 1129 1149 1150 CONECT 1149 1148 CONECT 1150 1148 1151 1381 CONECT 1151 1150 1152 1168 1380 CONECT 1152 1151 1153 1166 1167 CONECT 1153 1152 1154 1164 1165 CONECT 1154 1153 1155 1162 1163 CONECT 1155 1154 1156 1160 1161 CONECT 1156 1155 1157 1158 1159 CONECT 1157 1156 CONECT 1158 1156 CONECT 1159 1156 CONECT 1160 1155 CONECT 1161 1155 CONECT 1162 1154 CONECT 1163 1154 CONECT 1164 1153 CONECT 1165 1153 CONECT 1166 1152 CONECT 1167 1152 CONECT 1168 1151 1169 1170 CONECT 1169 1168 CONECT 1170 1168 1171 1379 CONECT 1171 1170 1172 1183 1378 CONECT 1172 1171 1173 1181 1182 CONECT 1173 1172 1174 1177 CONECT 1174 1173 1175 CONECT 1175 1174 1176 1180 CONECT 1176 1175 1177 1179 CONECT 1177 1173 1176 1178 CONECT 1178 1177 CONECT 1179 1176 CONECT 1180 1175 CONECT 1181 1172 CONECT 1182 1172 CONECT 1183 1171 1184 1185 CONECT 1184 1183 CONECT 1185 1183 1186 1187 CONECT 1186 1185 CONECT 1187 1185 1188 1206 1377 CONECT 1188 1187 1189 1204 1205 CONECT 1189 1188 1190 1193 CONECT 1190 1189 1191 1203 CONECT 1191 1190 1192 1202 CONECT 1192 1191 1193 1197 CONECT 1193 1189 1192 1194 CONECT 1194 1193 1195 1201 CONECT 1195 1194 1196 1200 CONECT 1196 1195 1197 1199 CONECT 1197 1192 1196 1198 CONECT 1198 1197 CONECT 1199 1196 CONECT 1200 1195 CONECT 1201 1194 CONECT 1202 1191 CONECT 1203 1190 CONECT 1204 1188 CONECT 1205 1188 CONECT 1206 1187 1207 1208 CONECT 1207 1206 CONECT 1208 1206 1209 1210 CONECT 1209 1208 CONECT 1210 1208 1211 1221 1376 CONECT 1211 1210 1212 1216 1220 CONECT 1212 1211 1213 1214 1215 CONECT 1213 1212 CONECT 1214 1212 CONECT 1215 1212 CONECT 1216 1211 1217 1218 1219 CONECT 1217 1216 CONECT 1218 1216 CONECT 1219 1216 CONECT 1220 1211 CONECT 1221 1210 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 1225 CONECT 1224 1223 CONECT 1225 1223 1226 1241 1375 CONECT 1226 1225 1227 1239 1240 CONECT 1227 1226 1228 1232 CONECT 1228 1227 1229 1238 CONECT 1229 1228 1230 1237 CONECT 1230 1229 1231 1235 CONECT 1231 1230 1232 1234 CONECT 1232 1227 1231 1233 CONECT 1233 1232 CONECT 1234 1231 CONECT 1235 1230 1236 CONECT 1236 1235 CONECT 1237 1229 CONECT 1238 1228 CONECT 1239 1226 CONECT 1240 1226 CONECT 1241 1225 1242 1243 CONECT 1242 1241 CONECT 1243 1241 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1261 1374 CONECT 1246 1245 1247 1259 1260 CONECT 1247 1246 1248 1252 CONECT 1248 1247 1249 1258 CONECT 1249 1248 1250 1257 CONECT 1250 1249 1251 1255 CONECT 1251 1250 1252 1254 CONECT 1252 1247 1251 1253 CONECT 1253 1252 CONECT 1254 1251 CONECT 1255 1250 1256 CONECT 1256 1255 CONECT 1257 1249 CONECT 1258 1248 CONECT 1259 1246 CONECT 1260 1246 CONECT 1261 1245 1262 1263 CONECT 1262 1261 CONECT 1263 1261 1264 1265 CONECT 1264 1263 CONECT 1265 1263 1266 1274 1373 CONECT 1266 1265 1267 1271 1273 CONECT 1267 1266 1268 1269 1270 CONECT 1268 1267 CONECT 1269 1267 CONECT 1270 1267 CONECT 1271 1266 1272 CONECT 1272 1271 CONECT 1273 1266 CONECT 1274 1265 1275 1276 CONECT 1275 1274 CONECT 1276 1274 1277 1278 CONECT 1277 1276 CONECT 1278 1276 1279 1286 1372 CONECT 1279 1278 1280 1370 1371 CONECT 1280 1279 1281 CONECT 1281 1280 1282 CONECT 1282 1281 1283 1368 1369 CONECT 1283 1282 1284 1288 1367 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1278 1284 1287 CONECT 1287 1286 CONECT 1288 1283 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1360 CONECT 1291 1290 1292 1293 1358 CONECT 1292 1291 CONECT 1293 1291 1294 1295 CONECT 1294 1293 CONECT 1295 1293 1296 1297 CONECT 1296 1295 CONECT 1297 1295 1298 1304 1357 CONECT 1298 1297 1299 1302 1303 CONECT 1299 1298 1300 1301 CONECT 1300 1299 CONECT 1301 1299 CONECT 1302 1298 CONECT 1303 1298 CONECT 1304 1297 1305 1306 CONECT 1305 1304 CONECT 1306 1304 1307 1308 CONECT 1307 1306 CONECT 1308 1306 1309 1317 1356 CONECT 1309 1308 1310 1314 1316 CONECT 1310 1309 1311 1312 1313 CONECT 1311 1310 CONECT 1312 1310 CONECT 1313 1310 CONECT 1314 1309 1315 CONECT 1315 1314 CONECT 1316 1309 CONECT 1317 1308 1318 1319 CONECT 1318 1317 CONECT 1319 1317 1320 1349 CONECT 1320 1319 1321 1322 1347 CONECT 1321 1320 CONECT 1322 1320 1323 1324 CONECT 1323 1322 CONECT 1324 1322 1325 1326 CONECT 1325 1324 CONECT 1326 1324 1327 1342 1346 CONECT 1327 1326 1328 1340 1341 CONECT 1328 1327 1329 1333 CONECT 1329 1328 1330 1339 CONECT 1330 1329 1331 1338 CONECT 1331 1330 1332 1336 CONECT 1332 1331 1333 1335 CONECT 1333 1328 1332 1334 CONECT 1334 1333 CONECT 1335 1332 CONECT 1336 1331 1337 CONECT 1337 1336 CONECT 1338 1330 CONECT 1339 1329 CONECT 1340 1327 CONECT 1341 1327 CONECT 1342 1326 1343 1344 CONECT 1343 1342 CONECT 1344 1342 1345 CONECT 1345 1344 CONECT 1346 1326 CONECT 1347 1320 1348 1354 1355 CONECT 1348 1347 1349 1352 1353 CONECT 1349 1319 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 CONECT 1352 1348 CONECT 1353 1348 CONECT 1354 1347 CONECT 1355 1347 CONECT 1356 1308 CONECT 1357 1297 CONECT 1358 1291 1359 1365 1366 CONECT 1359 1358 1360 1363 1364 CONECT 1360 1290 1359 1361 1362 CONECT 1361 1360 CONECT 1362 1360 CONECT 1363 1359 CONECT 1364 1359 CONECT 1365 1358 CONECT 1366 1358 CONECT 1367 1283 CONECT 1368 1282 CONECT 1369 1282 CONECT 1370 1279 CONECT 1371 1279 CONECT 1372 1278 CONECT 1373 1265 CONECT 1374 1245 CONECT 1375 1225 CONECT 1376 1210 CONECT 1377 1187 CONECT 1378 1171 CONECT 1379 1170 CONECT 1380 1151 CONECT 1381 1150 CONECT 1382 1129 CONECT 1383 1128 CONECT 1384 1125 CONECT 1385 1125 CONECT 1386 1124 CONECT 1387 1103 CONECT 1388 1102 CONECT 1389 1084 CONECT 1390 1083 CONECT 1391 1083 CONECT 1392 1083 MASTER 0 0 0 0 0 0 0 0 1391 1 324 6 END
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Entry Information
PDB ID
1idg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
伪-Bungarotoxin(Bgtx)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=65nM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
(2001) J.Biol.Chem. Vol. 276: pp. 22930-22940
Ligand Properties
Formula
C
1
1
1
H
1
4
5
N
2
6
O
2
7
S
2
Molecular Weight
2339.630
Exact Mass
2338.020
No. of atoms
311
No. of bonds
322
Polar Surface Area
905.25
LOGP Value
0.01 (
Computed with XLOGP3
)
0.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 27
No. of Hydrogen Bond Acceptors: 28
No. of Rotatable Bonds: 80
No. of Nitrogen and Oxygen Atoms: 53
No. of Rings: 12
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)[C@@H](O)C)CC(=O)O)[C@H](O)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)C(C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C111H142N26O27S2/c1-57(2)91(133-101(154)81(47-65-51-119-75-17-8-6-15-72(65)75)126-99(152)82(48-66-52-116-56-121-66)127-96(149)77(18-9-10-38-112)124-98(151)80(46-64-50-118-74-16-7-5-14-71(64)74)122-89(144)53-120-95(148)76(19-11-39-117-111(114)115)123-94(147)73(113)42-60-22-30-67(140)31-23-60)106(159)129-78(43-61-24-32-68(141)33-25-61)97(150)125-79(44-62-26-34-69(142)35-27-62)100(153)134-92(58(3)138)107(160)131-85-54-165-166-55-86(132-103(85)156)108(161)136-40-12-20-87(136)104(157)128-83(49-90(145)146)102(155)135-93(59(4)139)109(162)137-41-13-21-88(137)105(158)130-84(110(163)164)45-63-28-36-70(143)37-29-63/h5-8,14-17,22-37,50-52,56-59,73,76-88,91-93,118-119,138-143H,9-13,18-21,38-49,53-55,112-113H2,1-4H3,(H,116,121)(H,120,148)(H,122,144)(H,123,147)(H,124,151)(H,125,150)(H,126,152)(H,127,149)(H,128,157)(H,129,159)(H,130,158)(H,131,160)(H,132,156)(H,133,154)(H,134,153)(H,135,155)(H,145,146)(H,163,164)(H4,114,115,117)/p+3/t58-,59+,73+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,91+,92+,93+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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UniProtKB AC
UniProt accession number (AC):
P02710
P60615
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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