Browse entries in the PDBbind-CN Database
HEADER 2JMJ_COMPLEX COMPND 2JMJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 GLN GLU GLU VAL TYR CYS PHE CYS ARG ASN VAL SER TYR SEQRES 2 A 60 GLY PRO MET VAL ALA CYS ASP ASN PRO ALA CYS PRO PHE SEQRES 3 A 60 GLU TRP PHE HIS TYR GLY CYS VAL GLY LEU LYS GLN ALA SEQRES 4 A 60 PRO LYS GLY LYS TRP TYR CYS SER LYS ASP CYS LYS GLU SEQRES 5 A 60 ILE ALA ASN GLN ARG SER LYS SER HET ZN A 1 1 HET ZN A 2 1 HET ALA A 63 169 SSBOND 1 CYS A 29 CYS A 31 SSBOND 2 CYS A 42 CYS A 47 SSBOND 3 CYS A 31 CYS A 56 SSBOND 4 CYS A 47 CYS A 69 SSBOND 5 CYS A 69 CYS A 73 ATOM 1 N GLN A 24 -7.097 16.844 3.610 1.00 25.00 N ATOM 2 CA GLN A 24 -5.804 17.118 2.993 1.00 25.00 C ATOM 3 C GLN A 24 -5.586 16.175 1.816 1.00 25.00 C ATOM 4 O GLN A 24 -6.032 15.027 1.839 1.00 25.00 O ATOM 5 CB GLN A 24 -4.686 16.952 4.025 1.00 50.00 C ATOM 6 CG GLN A 24 -4.866 17.995 5.136 1.00 50.00 C ATOM 7 CD GLN A 24 -3.810 17.808 6.224 1.00 50.00 C ATOM 8 OE1 GLN A 24 -3.087 16.811 6.229 1.00 50.00 O ATOM 9 NE2 GLN A 24 -3.679 18.715 7.153 1.00 50.00 N ATOM 10 HA GLN A 24 -5.790 18.145 2.628 1.00 0.00 H ATOM 11 HB2 GLN A 24 -4.731 15.951 4.454 1.00 0.00 H ATOM 12 HB3 GLN A 24 -3.719 17.096 3.542 1.00 0.00 H ATOM 13 HG2 GLN A 24 -4.769 18.993 4.710 1.00 0.00 H ATOM 14 HG3 GLN A 24 -5.857 17.884 5.575 1.00 0.00 H ATOM 15 HE22 GLN A 24 -4.290 19.557 7.148 1.00 0.00 H ATOM 16 HE21 GLN A 24 -2.964 18.596 7.898 1.00 0.00 H ATOM 17 HN3 GLN A 24 -7.117 15.860 3.947 1.00 0.00 H ATOM 18 HN2 GLN A 24 -7.852 16.987 2.909 1.00 0.00 H ATOM 19 HN1 GLN A 24 -7.241 17.490 4.412 1.00 0.00 H ATOM 20 N GLU A 25 -4.917 16.673 0.779 1.00 50.00 N ATOM 21 CA GLU A 25 -4.670 15.871 -0.413 1.00 50.00 C ATOM 22 C GLU A 25 -3.177 15.625 -0.612 1.00 50.00 C ATOM 23 O GLU A 25 -2.405 16.558 -0.828 1.00 50.00 O ATOM 24 CB GLU A 25 -5.261 16.583 -1.633 1.00 50.00 C ATOM 25 CG GLU A 25 -6.790 16.463 -1.595 1.00 50.00 C ATOM 26 CD GLU A 25 -7.418 17.075 -2.850 1.00 50.00 C ATOM 27 OE1 GLU A 25 -6.685 17.625 -3.659 1.00 50.00 O ATOM 28 OE2 GLU A 25 -8.628 16.987 -2.982 1.00 50.00 O ATOM 29 HA GLU A 25 -5.151 14.901 -0.289 1.00 0.00 H ATOM 30 HB2 GLU A 25 -4.977 17.635 -1.615 1.00 0.00 H ATOM 31 HB3 GLU A 25 -4.881 16.121 -2.544 1.00 0.00 H ATOM 32 HG2 GLU A 25 -7.064 15.410 -1.536 1.00 0.00 H ATOM 33 HG3 GLU A 25 -7.167 16.985 -0.716 1.00 0.00 H ATOM 34 H GLU A 25 -4.565 17.651 0.820 1.00 0.00 H ATOM 35 N GLU A 26 -2.787 14.353 -0.535 1.00 12.50 N ATOM 36 CA GLU A 26 -1.389 13.963 -0.706 1.00 12.50 C ATOM 37 C GLU A 26 -1.301 12.679 -1.530 1.00 12.50 C ATOM 38 O GLU A 26 -2.017 11.713 -1.261 1.00 12.50 O ATOM 39 CB GLU A 26 -0.739 13.731 0.667 1.00 12.50 C ATOM 40 CG GLU A 26 -0.683 15.045 1.457 1.00 12.50 C ATOM 41 CD GLU A 26 0.208 16.064 0.746 1.00 50.00 C ATOM 42 OE1 GLU A 26 1.259 15.673 0.262 1.00 50.00 O ATOM 43 OE2 GLU A 26 -0.173 17.222 0.700 1.00 50.00 O ATOM 44 HA GLU A 26 -0.863 14.763 -1.227 1.00 0.00 H ATOM 45 HB2 GLU A 26 -1.325 13.000 1.224 1.00 0.00 H ATOM 46 HB3 GLU A 26 0.273 13.352 0.527 1.00 0.00 H ATOM 47 HG2 GLU A 26 -1.690 15.452 1.548 1.00 0.00 H ATOM 48 HG3 GLU A 26 -0.281 14.849 2.451 1.00 0.00 H ATOM 49 H GLU A 26 -3.498 13.617 -0.348 1.00 0.00 H ATOM 50 N VAL A 27 -0.417 12.671 -2.528 1.00 12.50 N ATOM 51 CA VAL A 27 -0.241 11.491 -3.376 1.00 12.50 C ATOM 52 C VAL A 27 0.470 10.398 -2.588 1.00 12.50 C ATOM 53 O VAL A 27 1.238 10.693 -1.672 1.00 12.50 O ATOM 54 CB VAL A 27 0.568 11.864 -4.627 1.00 16.66 C ATOM 55 CG1 VAL A 27 0.926 10.605 -5.428 1.00 16.66 C ATOM 56 CG2 VAL A 27 -0.270 12.797 -5.501 1.00 16.66 C ATOM 57 HA VAL A 27 -1.217 11.121 -3.691 1.00 0.00 H ATOM 58 HB VAL A 27 1.489 12.360 -4.321 1.00 0.00 H ATOM 59 HG11 VAL A 27 1.522 9.937 -4.806 1.00 0.00 H ATOM 60 HG12 VAL A 27 0.011 10.098 -5.734 1.00 0.00 H ATOM 61 HG13 VAL A 27 1.499 10.888 -6.311 1.00 0.00 H ATOM 62 HG21 VAL A 27 -1.189 12.290 -5.794 1.00 0.00 H ATOM 63 HG22 VAL A 27 -0.514 13.698 -4.938 1.00 0.00 H ATOM 64 HG23 VAL A 27 0.298 13.066 -6.391 1.00 0.00 H ATOM 65 H VAL A 27 0.158 13.519 -2.707 1.00 0.00 H ATOM 66 N TYR A 28 0.204 9.138 -2.931 1.00 12.50 N ATOM 67 CA TYR A 28 0.829 8.031 -2.217 1.00 12.50 C ATOM 68 C TYR A 28 1.158 6.864 -3.152 1.00 12.50 C ATOM 69 O TYR A 28 2.279 6.768 -3.657 1.00 12.50 O ATOM 70 CB TYR A 28 -0.099 7.556 -1.094 1.00 12.50 C ATOM 71 CG TYR A 28 -0.108 8.566 0.030 1.00 12.50 C ATOM 72 CD1 TYR A 28 1.022 8.724 0.843 1.00 12.50 C ATOM 73 CD2 TYR A 28 -1.250 9.343 0.261 1.00 12.50 C ATOM 74 CE1 TYR A 28 1.008 9.656 1.888 1.00 12.50 C ATOM 75 CE2 TYR A 28 -1.262 10.274 1.304 1.00 12.50 C ATOM 76 CZ TYR A 28 -0.134 10.431 2.118 1.00 12.50 C ATOM 77 OH TYR A 28 -0.149 11.350 3.147 1.00 12.50 O ATOM 78 HA TYR A 28 1.768 8.390 -1.796 1.00 0.00 H ATOM 79 HB3 TYR A 28 0.254 6.597 -0.715 1.00 0.00 H ATOM 80 HB2 TYR A 28 -1.110 7.441 -1.485 1.00 0.00 H ATOM 81 HD2 TYR A 28 -2.129 9.222 -0.372 1.00 0.00 H ATOM 82 HE2 TYR A 28 -2.151 10.879 1.484 1.00 0.00 H ATOM 83 HE1 TYR A 28 1.886 9.778 2.522 1.00 0.00 H ATOM 84 HD1 TYR A 28 1.912 8.121 0.662 1.00 0.00 H ATOM 85 HH TYR A 28 0.722 11.331 3.617 1.00 0.00 H ATOM 86 H TYR A 28 -0.454 8.943 -3.713 1.00 0.00 H ATOM 87 N CYS A 29 0.189 5.967 -3.359 1.00 12.50 N ATOM 88 CA CYS A 29 0.403 4.796 -4.216 1.00 12.50 C ATOM 89 C CYS A 29 0.855 5.202 -5.616 1.00 12.50 C ATOM 90 O CYS A 29 0.642 6.340 -6.041 1.00 12.50 O ATOM 91 CB CYS A 29 -0.880 3.945 -4.281 1.00 12.50 C ATOM 92 SG CYS A 29 -1.799 4.227 -5.842 1.00 12.50 S ATOM 93 HA CYS A 29 1.201 4.197 -3.777 1.00 0.00 H ATOM 94 HB2 CYS A 29 -1.522 4.207 -3.440 1.00 0.00 H ATOM 95 HB3 CYS A 29 -0.609 2.891 -4.215 1.00 0.00 H ATOM 96 H CYS A 29 -0.736 6.102 -2.903 1.00 0.00 H ATOM 97 N PHE A 30 1.493 4.262 -6.321 1.00 12.50 N ATOM 98 CA PHE A 30 1.990 4.520 -7.674 1.00 12.50 C ATOM 99 C PHE A 30 0.901 5.137 -8.542 1.00 12.50 C ATOM 100 O PHE A 30 1.170 5.657 -9.623 1.00 12.50 O ATOM 101 CB PHE A 30 2.496 3.220 -8.309 1.00 16.66 C ATOM 102 CG PHE A 30 1.333 2.296 -8.605 1.00 16.66 C ATOM 103 CD1 PHE A 30 0.874 1.410 -7.621 1.00 16.66 C ATOM 104 CD2 PHE A 30 0.723 2.317 -9.866 1.00 16.66 C ATOM 105 CE1 PHE A 30 -0.195 0.550 -7.898 1.00 50.00 C ATOM 106 CE2 PHE A 30 -0.345 1.456 -10.142 1.00 50.00 C ATOM 107 CZ PHE A 30 -0.804 0.572 -9.158 1.00 50.00 C ATOM 108 HA PHE A 30 2.817 5.227 -7.605 1.00 0.00 H ATOM 109 HB2 PHE A 30 3.018 3.452 -9.238 1.00 0.00 H ATOM 110 HB3 PHE A 30 3.183 2.726 -7.621 1.00 0.00 H ATOM 111 HD2 PHE A 30 1.081 3.004 -10.633 1.00 0.00 H ATOM 112 HE2 PHE A 30 -0.820 1.474 -11.123 1.00 0.00 H ATOM 113 HZ PHE A 30 -1.636 -0.099 -9.373 1.00 0.00 H ATOM 114 HE1 PHE A 30 -0.554 -0.137 -7.132 1.00 0.00 H ATOM 115 HD1 PHE A 30 1.349 1.391 -6.640 1.00 0.00 H ATOM 116 H PHE A 30 1.640 3.324 -5.898 1.00 0.00 H ATOM 117 N CYS A 31 -0.322 5.087 -8.039 1.00 12.50 N ATOM 118 CA CYS A 31 -1.463 5.657 -8.737 1.00 12.50 C ATOM 119 C CYS A 31 -1.184 7.123 -9.060 1.00 12.50 C ATOM 120 O CYS A 31 -1.820 7.711 -9.934 1.00 12.50 O ATOM 121 CB CYS A 31 -2.712 5.535 -7.861 1.00 12.50 C ATOM 122 SG CYS A 31 -2.369 4.399 -6.466 1.00 12.50 S ATOM 123 HA CYS A 31 -1.631 5.116 -9.668 1.00 0.00 H ATOM 124 HB2 CYS A 31 -3.537 5.142 -8.456 1.00 0.00 H ATOM 125 HB3 CYS A 31 -2.981 6.517 -7.473 1.00 0.00 H ATOM 126 H CYS A 31 -0.471 4.627 -7.118 1.00 0.00 H ATOM 127 N ARG A 32 -0.203 7.691 -8.350 1.00 12.50 N ATOM 128 CA ARG A 32 0.204 9.081 -8.559 1.00 12.50 C ATOM 129 C ARG A 32 -0.912 10.058 -8.188 1.00 12.50 C ATOM 130 O ARG A 32 -0.796 11.262 -8.425 1.00 12.50 O ATOM 131 CB ARG A 32 0.609 9.298 -10.025 1.00 12.50 C ATOM 132 CG ARG A 32 2.018 8.733 -10.267 1.00 12.50 C ATOM 133 CD ARG A 32 2.439 8.988 -11.718 1.00 50.00 C ATOM 134 NE ARG A 32 2.677 10.413 -11.940 1.00 50.00 N ATOM 135 CZ ARG A 32 2.425 10.980 -13.119 1.00 50.00 C ATOM 136 NH1 ARG A 32 1.981 10.257 -14.113 1.00 50.00 N ATOM 137 NH2 ARG A 32 2.624 12.260 -13.283 1.00 50.00 N ATOM 138 HA ARG A 32 1.056 9.275 -7.908 1.00 0.00 H ATOM 139 HB2 ARG A 32 -0.102 8.789 -10.676 1.00 0.00 H ATOM 140 HB3 ARG A 32 0.604 10.365 -10.248 1.00 0.00 H ATOM 141 HG2 ARG A 32 2.724 9.220 -9.594 1.00 0.00 H ATOM 142 HG3 ARG A 32 2.016 7.660 -10.074 1.00 0.00 H ATOM 143 HD2 ARG A 32 1.648 8.648 -12.386 1.00 0.00 H ATOM 144 HD3 ARG A 32 3.354 8.434 -11.929 1.00 0.00 H ATOM 145 HE ARG A 32 3.050 10.995 -11.163 1.00 0.00 H ATOM 146 HH12 ARG A 32 1.785 10.702 -15.032 1.00 0.00 H ATOM 147 HH11 ARG A 32 1.824 9.237 -13.985 1.00 0.00 H ATOM 148 HH22 ARG A 32 2.427 12.703 -14.203 1.00 0.00 H ATOM 149 HH21 ARG A 32 2.979 12.836 -12.494 1.00 0.00 H ATOM 150 H ARG A 32 0.286 7.127 -7.626 1.00 0.00 H ATOM 151 N ASN A 33 -1.982 9.542 -7.598 1.00 12.50 N ATOM 152 CA ASN A 33 -3.092 10.389 -7.198 1.00 12.50 C ATOM 153 C ASN A 33 -3.149 10.476 -5.683 1.00 12.50 C ATOM 154 O ASN A 33 -2.361 9.838 -4.985 1.00 12.50 O ATOM 155 CB ASN A 33 -4.407 9.851 -7.762 1.00 12.50 C ATOM 156 CG ASN A 33 -4.484 8.347 -7.555 1.00 12.50 C ATOM 157 OD1 ASN A 33 -4.538 7.591 -8.522 1.00 50.00 O ATOM 158 ND2 ASN A 33 -4.500 7.868 -6.343 1.00 50.00 N ATOM 159 HA ASN A 33 -2.940 11.390 -7.601 1.00 0.00 H ATOM 160 HB2 ASN A 33 -5.242 10.329 -7.251 1.00 0.00 H ATOM 161 HB3 ASN A 33 -4.460 10.072 -8.828 1.00 0.00 H ATOM 162 HD22 ASN A 33 -4.454 8.513 -5.528 1.00 0.00 H ATOM 163 HD21 ASN A 33 -4.559 6.841 -6.191 1.00 0.00 H ATOM 164 H ASN A 33 -2.027 8.518 -7.420 1.00 0.00 H ATOM 165 N VAL A 34 -4.051 11.304 -5.188 1.00 12.50 N ATOM 166 CA VAL A 34 -4.181 11.528 -3.757 1.00 12.50 C ATOM 167 C VAL A 34 -4.897 10.389 -3.033 1.00 12.50 C ATOM 168 O VAL A 34 -5.635 9.604 -3.630 1.00 12.50 O ATOM 169 CB VAL A 34 -4.930 12.841 -3.539 1.00 12.50 C ATOM 170 CG1 VAL A 34 -5.452 12.912 -2.107 1.00 12.50 C ATOM 171 CG2 VAL A 34 -3.975 14.010 -3.800 1.00 12.50 C ATOM 172 HA VAL A 34 -3.178 11.574 -3.333 1.00 0.00 H ATOM 173 HB VAL A 34 -5.776 12.896 -4.224 1.00 0.00 H ATOM 174 HG11 VAL A 34 -6.130 12.077 -1.927 1.00 0.00 H ATOM 175 HG12 VAL A 34 -4.613 12.857 -1.413 1.00 0.00 H ATOM 176 HG13 VAL A 34 -5.984 13.852 -1.962 1.00 0.00 H ATOM 177 HG21 VAL A 34 -3.132 13.949 -3.112 1.00 0.00 H ATOM 178 HG22 VAL A 34 -3.613 13.959 -4.827 1.00 0.00 H ATOM 179 HG23 VAL A 34 -4.504 14.951 -3.646 1.00 0.00 H ATOM 180 H VAL A 34 -4.685 11.809 -5.839 1.00 0.00 H ATOM 181 N SER A 35 -4.662 10.335 -1.720 1.00 12.50 N ATOM 182 CA SER A 35 -5.266 9.331 -0.858 1.00 12.50 C ATOM 183 C SER A 35 -6.779 9.516 -0.816 1.00 12.50 C ATOM 184 O SER A 35 -7.280 10.415 -0.143 1.00 12.50 O ATOM 185 CB SER A 35 -4.695 9.469 0.558 1.00 12.50 C ATOM 186 OG SER A 35 -5.710 9.172 1.514 1.00 12.50 O ATOM 187 HA SER A 35 -5.041 8.340 -1.252 1.00 0.00 H ATOM 188 HB2 SER A 35 -4.341 10.489 0.709 1.00 0.00 H ATOM 189 HB3 SER A 35 -3.864 8.775 0.684 1.00 0.00 H ATOM 190 HG SER A 35 -6.464 9.803 1.400 1.00 0.00 H ATOM 191 H SER A 35 -4.023 11.038 -1.297 1.00 0.00 H ATOM 192 N TYR A 36 -7.504 8.662 -1.531 1.00 12.50 N ATOM 193 CA TYR A 36 -8.958 8.757 -1.548 1.00 12.50 C ATOM 194 C TYR A 36 -9.516 8.647 -0.126 1.00 12.50 C ATOM 195 O TYR A 36 -10.197 9.551 0.361 1.00 12.50 O ATOM 196 CB TYR A 36 -9.572 7.646 -2.410 1.00 12.50 C ATOM 197 CG TYR A 36 -8.646 7.252 -3.541 1.00 12.50 C ATOM 198 CD1 TYR A 36 -8.267 8.192 -4.506 1.00 12.50 C ATOM 199 CD2 TYR A 36 -8.186 5.933 -3.633 1.00 12.50 C ATOM 200 CE1 TYR A 36 -7.430 7.813 -5.563 1.00 12.50 C ATOM 201 CE2 TYR A 36 -7.345 5.553 -4.685 1.00 12.50 C ATOM 202 CZ TYR A 36 -6.968 6.492 -5.652 1.00 12.50 C ATOM 203 OH TYR A 36 -6.152 6.110 -6.698 1.00 12.50 O ATOM 204 HA TYR A 36 -9.220 9.726 -1.974 1.00 0.00 H ATOM 205 HB3 TYR A 36 -10.514 8.001 -2.829 1.00 0.00 H ATOM 206 HB2 TYR A 36 -9.760 6.774 -1.784 1.00 0.00 H ATOM 207 HD2 TYR A 36 -8.484 5.200 -2.883 1.00 0.00 H ATOM 208 HE2 TYR A 36 -6.984 4.527 -4.751 1.00 0.00 H ATOM 209 HE1 TYR A 36 -7.138 8.545 -6.316 1.00 0.00 H ATOM 210 HD1 TYR A 36 -8.623 9.220 -4.435 1.00 0.00 H ATOM 211 HH TYR A 36 -5.984 6.889 -7.285 1.00 0.00 H ATOM 212 H TYR A 36 -7.029 7.919 -2.083 1.00 0.00 H ATOM 213 N GLY A 37 -9.229 7.526 0.527 1.00 16.66 N ATOM 214 CA GLY A 37 -9.711 7.294 1.886 1.00 16.66 C ATOM 215 C GLY A 37 -9.253 5.930 2.399 1.00 16.66 C ATOM 216 O GLY A 37 -8.539 5.842 3.398 1.00 16.66 O ATOM 217 HA3 GLY A 37 -10.800 7.330 1.890 1.00 0.00 H ATOM 218 HA2 GLY A 37 -9.320 8.072 2.542 1.00 0.00 H ATOM 219 H GLY A 37 -8.649 6.799 0.061 1.00 0.00 H ATOM 220 N PRO A 38 -9.642 4.879 1.719 1.00 12.50 N ATOM 221 CA PRO A 38 -9.263 3.481 2.083 1.00 12.50 C ATOM 222 C PRO A 38 -7.797 3.225 1.747 1.00 12.50 C ATOM 223 O PRO A 38 -7.439 3.113 0.576 1.00 12.50 O ATOM 224 CB PRO A 38 -10.196 2.621 1.227 1.00 50.00 C ATOM 225 CG PRO A 38 -10.556 3.468 0.053 1.00 50.00 C ATOM 226 CD PRO A 38 -10.487 4.921 0.518 1.00 50.00 C ATOM 227 HA PRO A 38 -9.364 3.266 3.147 1.00 0.00 H ATOM 228 HD3 PRO A 38 -10.037 5.551 -0.249 1.00 0.00 H ATOM 229 HD2 PRO A 38 -11.481 5.297 0.758 1.00 0.00 H ATOM 230 HG3 PRO A 38 -11.564 3.230 -0.287 1.00 0.00 H ATOM 231 HG2 PRO A 38 -9.851 3.301 -0.761 1.00 0.00 H ATOM 232 HB2 PRO A 38 -9.686 1.714 0.901 1.00 0.00 H ATOM 233 HB3 PRO A 38 -11.089 2.351 1.790 1.00 0.00 H ATOM 234 N MET A 39 -6.940 3.184 2.772 1.00 12.50 N ATOM 235 CA MET A 39 -5.508 2.998 2.536 1.00 12.50 C ATOM 236 C MET A 39 -4.822 2.145 3.601 1.00 12.50 C ATOM 237 O MET A 39 -5.430 1.709 4.579 1.00 12.50 O ATOM 238 CB MET A 39 -4.814 4.360 2.503 1.00 12.50 C ATOM 239 CG MET A 39 -5.628 5.340 1.657 1.00 12.50 C ATOM 240 SD MET A 39 -4.683 6.856 1.397 1.00 12.50 S ATOM 241 CE MET A 39 -3.141 6.107 0.809 1.00 12.50 C ATOM 242 HA MET A 39 -5.422 2.475 1.583 1.00 0.00 H ATOM 243 HB2 MET A 39 -4.726 4.746 3.519 1.00 0.00 H ATOM 244 HB3 MET A 39 -3.820 4.249 2.071 1.00 0.00 H ATOM 245 HG2 MET A 39 -6.558 5.577 2.173 1.00 0.00 H ATOM 246 HG3 MET A 39 -5.854 4.885 0.693 1.00 0.00 H ATOM 247 HE1 MET A 39 -2.742 5.447 1.580 1.00 0.00 H ATOM 248 HE2 MET A 39 -3.340 5.532 -0.096 1.00 0.00 H ATOM 249 HE3 MET A 39 -2.417 6.892 0.591 1.00 0.00 H ATOM 250 H MET A 39 -7.294 3.285 3.745 1.00 0.00 H ATOM 251 N VAL A 40 -3.525 1.938 3.372 1.00 12.50 N ATOM 252 CA VAL A 40 -2.671 1.159 4.261 1.00 12.50 C ATOM 253 C VAL A 40 -1.214 1.576 4.044 1.00 12.50 C ATOM 254 O VAL A 40 -0.914 2.288 3.088 1.00 12.50 O ATOM 255 CB VAL A 40 -2.830 -0.331 3.953 1.00 12.50 C ATOM 256 CG1 VAL A 40 -2.468 -0.581 2.485 1.00 12.50 C ATOM 257 CG2 VAL A 40 -1.905 -1.157 4.859 1.00 12.50 C ATOM 258 HA VAL A 40 -2.956 1.341 5.297 1.00 0.00 H ATOM 259 HB VAL A 40 -3.862 -0.630 4.136 1.00 0.00 H ATOM 260 HG11 VAL A 40 -3.132 -0.001 1.844 1.00 0.00 H ATOM 261 HG12 VAL A 40 -1.436 -0.278 2.310 1.00 0.00 H ATOM 262 HG13 VAL A 40 -2.580 -1.642 2.260 1.00 0.00 H ATOM 263 HG21 VAL A 40 -0.870 -0.863 4.684 1.00 0.00 H ATOM 264 HG22 VAL A 40 -2.164 -0.976 5.902 1.00 0.00 H ATOM 265 HG23 VAL A 40 -2.026 -2.216 4.631 1.00 0.00 H ATOM 266 H VAL A 40 -3.102 2.352 2.517 1.00 0.00 H ATOM 267 N ALA A 41 -0.313 1.136 4.921 1.00 12.50 N ATOM 268 CA ALA A 41 1.102 1.485 4.790 1.00 12.50 C ATOM 269 C ALA A 41 1.949 0.245 4.502 1.00 12.50 C ATOM 270 O ALA A 41 1.700 -0.826 5.052 1.00 12.50 O ATOM 271 CB ALA A 41 1.593 2.149 6.078 1.00 50.00 C ATOM 272 HA ALA A 41 1.206 2.177 3.954 1.00 0.00 H ATOM 273 HB1 ALA A 41 1.014 3.054 6.263 1.00 0.00 H ATOM 274 HB2 ALA A 41 1.467 1.459 6.912 1.00 0.00 H ATOM 275 HB3 ALA A 41 2.647 2.406 5.974 1.00 0.00 H ATOM 276 H ALA A 41 -0.620 0.535 5.712 1.00 0.00 H ATOM 277 N CYS A 42 2.955 0.401 3.633 1.00 12.50 N ATOM 278 CA CYS A 42 3.836 -0.715 3.280 1.00 12.50 C ATOM 279 C CYS A 42 4.513 -1.291 4.525 1.00 12.50 C ATOM 280 O CYS A 42 5.353 -0.641 5.148 1.00 12.50 O ATOM 281 CB CYS A 42 4.913 -0.257 2.277 1.00 12.50 C ATOM 282 SG CYS A 42 5.149 -1.573 0.962 1.00 12.50 S ATOM 283 HA CYS A 42 3.223 -1.490 2.821 1.00 0.00 H ATOM 284 HB2 CYS A 42 5.854 -0.097 2.803 1.00 0.00 H ATOM 285 HB3 CYS A 42 4.598 0.674 1.806 1.00 0.00 H ATOM 286 H CYS A 42 3.114 1.333 3.200 1.00 0.00 H ATOM 287 N ASP A 43 4.140 -2.521 4.875 1.00 12.50 N ATOM 288 CA ASP A 43 4.715 -3.192 6.037 1.00 12.50 C ATOM 289 C ASP A 43 5.908 -4.038 5.601 1.00 12.50 C ATOM 290 O ASP A 43 6.123 -5.144 6.098 1.00 12.50 O ATOM 291 CB ASP A 43 3.648 -4.078 6.698 1.00 12.50 C ATOM 292 CG ASP A 43 3.508 -3.741 8.183 1.00 12.50 C ATOM 293 OD1 ASP A 43 3.613 -2.573 8.526 1.00 12.50 O ATOM 294 OD2 ASP A 43 3.290 -4.658 8.960 1.00 12.50 O ATOM 295 HA ASP A 43 5.055 -2.449 6.758 1.00 0.00 H ATOM 296 HB2 ASP A 43 2.691 -3.916 6.202 1.00 0.00 H ATOM 297 HB3 ASP A 43 3.937 -5.124 6.594 1.00 0.00 H ATOM 298 H ASP A 43 3.422 -3.015 4.307 1.00 0.00 H ATOM 299 N ASN A 44 6.671 -3.499 4.653 1.00 12.50 N ATOM 300 CA ASN A 44 7.840 -4.192 4.117 1.00 12.50 C ATOM 301 C ASN A 44 9.122 -3.414 4.427 1.00 12.50 C ATOM 302 O ASN A 44 9.161 -2.191 4.280 1.00 12.50 O ATOM 303 CB ASN A 44 7.669 -4.341 2.600 1.00 12.50 C ATOM 304 CG ASN A 44 8.974 -4.770 1.943 1.00 12.50 C ATOM 305 OD1 ASN A 44 9.412 -5.903 2.106 1.00 12.50 O ATOM 306 ND2 ASN A 44 9.612 -3.924 1.192 1.00 12.50 N ATOM 307 HA ASN A 44 7.923 -5.174 4.583 1.00 0.00 H ATOM 308 HB2 ASN A 44 6.905 -5.092 2.399 1.00 0.00 H ATOM 309 HB3 ASN A 44 7.356 -3.385 2.181 1.00 0.00 H ATOM 310 HD22 ASN A 44 9.237 -2.963 1.056 1.00 0.00 H ATOM 311 HD21 ASN A 44 10.498 -4.207 0.726 1.00 0.00 H ATOM 312 H ASN A 44 6.428 -2.558 4.283 1.00 0.00 H ATOM 313 N PRO A 45 10.166 -4.100 4.847 1.00 12.50 N ATOM 314 CA PRO A 45 11.479 -3.465 5.180 1.00 12.50 C ATOM 315 C PRO A 45 11.909 -2.428 4.138 1.00 12.50 C ATOM 316 O PRO A 45 12.683 -1.517 4.442 1.00 12.50 O ATOM 317 CB PRO A 45 12.448 -4.649 5.210 1.00 25.00 C ATOM 318 CG PRO A 45 11.615 -5.825 5.592 1.00 25.00 C ATOM 319 CD PRO A 45 10.206 -5.559 5.058 1.00 25.00 C ATOM 320 HA PRO A 45 11.440 -2.911 6.118 1.00 0.00 H ATOM 321 HD3 PRO A 45 10.041 -6.090 4.120 1.00 0.00 H ATOM 322 HD2 PRO A 45 9.453 -5.865 5.784 1.00 0.00 H ATOM 323 HG3 PRO A 45 11.592 -5.933 6.676 1.00 0.00 H ATOM 324 HG2 PRO A 45 12.020 -6.733 5.146 1.00 0.00 H ATOM 325 HB2 PRO A 45 12.897 -4.801 4.229 1.00 0.00 H ATOM 326 HB3 PRO A 45 13.234 -4.482 5.946 1.00 0.00 H ATOM 327 N ALA A 46 11.390 -2.564 2.917 1.00 12.50 N ATOM 328 CA ALA A 46 11.709 -1.625 1.843 1.00 12.50 C ATOM 329 C ALA A 46 10.458 -0.824 1.471 1.00 12.50 C ATOM 330 O ALA A 46 10.200 0.220 2.068 1.00 12.50 O ATOM 331 CB ALA A 46 12.264 -2.370 0.621 1.00 50.00 C ATOM 332 HA ALA A 46 12.478 -0.935 2.190 1.00 0.00 H ATOM 333 HB1 ALA A 46 13.171 -2.905 0.904 1.00 0.00 H ATOM 334 HB2 ALA A 46 11.519 -3.080 0.261 1.00 0.00 H ATOM 335 HB3 ALA A 46 12.495 -1.652 -0.166 1.00 0.00 H ATOM 336 H ALA A 46 10.744 -3.356 2.725 1.00 0.00 H ATOM 337 N CYS A 47 9.674 -1.326 0.504 1.00 12.50 N ATOM 338 CA CYS A 47 8.443 -0.649 0.090 1.00 12.50 C ATOM 339 C CYS A 47 8.736 0.828 -0.235 1.00 12.50 C ATOM 340 O CYS A 47 8.825 1.660 0.668 1.00 12.50 O ATOM 341 CB CYS A 47 7.409 -0.731 1.224 1.00 12.50 C ATOM 342 SG CYS A 47 6.014 -1.875 0.816 1.00 12.50 S ATOM 343 HA CYS A 47 8.049 -1.137 -0.801 1.00 0.00 H ATOM 344 HB2 CYS A 47 7.005 0.265 1.404 1.00 0.00 H ATOM 345 HB3 CYS A 47 7.905 -1.089 2.126 1.00 0.00 H ATOM 346 H CYS A 47 9.947 -2.215 0.039 1.00 0.00 H ATOM 347 N PRO A 48 8.894 1.161 -1.496 1.00 12.50 N ATOM 348 CA PRO A 48 9.200 2.555 -1.948 1.00 12.50 C ATOM 349 C PRO A 48 8.513 3.640 -1.106 1.00 12.50 C ATOM 350 O PRO A 48 9.088 4.705 -0.875 1.00 12.50 O ATOM 351 CB PRO A 48 8.693 2.553 -3.389 1.00 25.00 C ATOM 352 CG PRO A 48 8.931 1.157 -3.869 1.00 25.00 C ATOM 353 CD PRO A 48 8.805 0.240 -2.644 1.00 25.00 C ATOM 354 HA PRO A 48 10.258 2.798 -1.848 1.00 0.00 H ATOM 355 HD3 PRO A 48 7.849 -0.283 -2.648 1.00 0.00 H ATOM 356 HD2 PRO A 48 9.616 -0.488 -2.620 1.00 0.00 H ATOM 357 HG3 PRO A 48 9.929 1.073 -4.300 1.00 0.00 H ATOM 358 HG2 PRO A 48 8.188 0.886 -4.619 1.00 0.00 H ATOM 359 HB2 PRO A 48 7.631 2.797 -3.424 1.00 0.00 H ATOM 360 HB3 PRO A 48 9.249 3.269 -3.994 1.00 0.00 H ATOM 361 N PHE A 49 7.298 3.360 -0.637 1.00 12.50 N ATOM 362 CA PHE A 49 6.561 4.314 0.193 1.00 12.50 C ATOM 363 C PHE A 49 5.987 3.597 1.413 1.00 12.50 C ATOM 364 O PHE A 49 6.239 2.409 1.609 1.00 12.50 O ATOM 365 CB PHE A 49 5.429 4.965 -0.610 1.00 50.00 C ATOM 366 CG PHE A 49 6.010 5.771 -1.746 1.00 50.00 C ATOM 367 CD1 PHE A 49 6.411 7.095 -1.534 1.00 50.00 C ATOM 368 CD2 PHE A 49 6.140 5.196 -3.017 1.00 50.00 C ATOM 369 CE1 PHE A 49 6.945 7.843 -2.589 1.00 50.00 C ATOM 370 CE2 PHE A 49 6.673 5.943 -4.072 1.00 50.00 C ATOM 371 CZ PHE A 49 7.075 7.267 -3.859 1.00 50.00 C ATOM 372 HA PHE A 49 7.246 5.096 0.521 1.00 0.00 H ATOM 373 HB2 PHE A 49 4.777 4.190 -1.012 1.00 0.00 H ATOM 374 HB3 PHE A 49 4.852 5.621 0.042 1.00 0.00 H ATOM 375 HD2 PHE A 49 5.825 4.166 -3.183 1.00 0.00 H ATOM 376 HE2 PHE A 49 6.775 5.495 -5.060 1.00 0.00 H ATOM 377 HZ PHE A 49 7.489 7.850 -4.682 1.00 0.00 H ATOM 378 HE1 PHE A 49 7.260 8.873 -2.423 1.00 0.00 H ATOM 379 HD1 PHE A 49 6.307 7.544 -0.546 1.00 0.00 H ATOM 380 H PHE A 49 6.864 2.443 -0.866 1.00 0.00 H ATOM 381 N GLU A 50 5.216 4.314 2.227 1.00 12.50 N ATOM 382 CA GLU A 50 4.618 3.710 3.417 1.00 12.50 C ATOM 383 C GLU A 50 3.156 4.131 3.556 1.00 12.50 C ATOM 384 O GLU A 50 2.641 4.280 4.661 1.00 12.50 O ATOM 385 CB GLU A 50 5.416 4.096 4.672 1.00 12.50 C ATOM 386 CG GLU A 50 6.485 3.027 4.934 1.00 12.50 C ATOM 387 CD GLU A 50 7.061 3.175 6.342 1.00 12.50 C ATOM 388 OE1 GLU A 50 7.208 4.301 6.791 1.00 12.50 O ATOM 389 OE2 GLU A 50 7.354 2.157 6.947 1.00 12.50 O ATOM 390 HA GLU A 50 4.651 2.626 3.309 1.00 0.00 H ATOM 391 HB2 GLU A 50 5.896 5.062 4.517 1.00 0.00 H ATOM 392 HB3 GLU A 50 4.744 4.158 5.528 1.00 0.00 H ATOM 393 HG2 GLU A 50 6.036 2.039 4.832 1.00 0.00 H ATOM 394 HG3 GLU A 50 7.288 3.137 4.205 1.00 0.00 H ATOM 395 H GLU A 50 5.037 5.316 2.014 1.00 0.00 H ATOM 396 N TRP A 51 2.499 4.297 2.412 1.00 12.50 N ATOM 397 CA TRP A 51 1.089 4.676 2.365 1.00 12.50 C ATOM 398 C TRP A 51 0.544 4.385 0.968 1.00 12.50 C ATOM 399 O TRP A 51 1.070 4.883 -0.024 1.00 12.50 O ATOM 400 CB TRP A 51 0.912 6.162 2.701 1.00 12.50 C ATOM 401 CG TRP A 51 0.951 6.363 4.187 1.00 12.50 C ATOM 402 CD1 TRP A 51 1.808 7.190 4.828 1.00 12.50 C ATOM 403 CD2 TRP A 51 0.121 5.753 5.224 1.00 12.50 C ATOM 404 NE1 TRP A 51 1.564 7.125 6.186 1.00 12.50 N ATOM 405 CE2 TRP A 51 0.536 6.254 6.482 1.00 12.50 C ATOM 406 CE3 TRP A 51 -0.937 4.825 5.199 1.00 12.50 C ATOM 407 CZ2 TRP A 51 -0.074 5.848 7.670 1.00 12.50 C ATOM 408 CZ3 TRP A 51 -1.554 4.417 6.394 1.00 12.50 C ATOM 409 CH2 TRP A 51 -1.123 4.926 7.626 1.00 12.50 C ATOM 410 HA TRP A 51 0.538 4.096 3.106 1.00 0.00 H ATOM 411 HB2 TRP A 51 1.716 6.735 2.238 1.00 0.00 H ATOM 412 HB3 TRP A 51 -0.047 6.507 2.315 1.00 0.00 H ATOM 413 HE1 TRP A 51 2.092 7.667 6.899 1.00 0.00 H ATOM 414 HD1 TRP A 51 2.568 7.808 4.350 1.00 0.00 H ATOM 415 HZ2 TRP A 51 0.266 6.247 8.626 1.00 0.00 H ATOM 416 HH2 TRP A 51 -1.605 4.603 8.549 1.00 0.00 H ATOM 417 HZ3 TRP A 51 -2.374 3.699 6.362 1.00 0.00 H ATOM 418 HE3 TRP A 51 -1.280 4.420 4.247 1.00 0.00 H ATOM 419 H TRP A 51 3.008 4.152 1.517 1.00 0.00 H ATOM 420 N PHE A 52 -0.482 3.542 0.894 1.00 12.50 N ATOM 421 CA PHE A 52 -1.068 3.156 -0.392 1.00 12.50 C ATOM 422 C PHE A 52 -2.579 3.044 -0.262 1.00 12.50 C ATOM 423 O PHE A 52 -3.091 2.694 0.802 1.00 12.50 O ATOM 424 CB PHE A 52 -0.479 1.817 -0.855 1.00 12.50 C ATOM 425 CG PHE A 52 1.030 1.911 -0.852 1.00 12.50 C ATOM 426 CD1 PHE A 52 1.717 2.045 0.360 1.00 12.50 C ATOM 427 CD2 PHE A 52 1.741 1.887 -2.058 1.00 12.50 C ATOM 428 CE1 PHE A 52 3.107 2.155 0.368 1.00 12.50 C ATOM 429 CE2 PHE A 52 3.138 1.991 -2.048 1.00 12.50 C ATOM 430 CZ PHE A 52 3.819 2.126 -0.834 1.00 12.50 C ATOM 431 HA PHE A 52 -0.833 3.920 -1.133 1.00 0.00 H ATOM 432 HB2 PHE A 52 -0.797 1.025 -0.177 1.00 0.00 H ATOM 433 HB3 PHE A 52 -0.829 1.593 -1.863 1.00 0.00 H ATOM 434 HD2 PHE A 52 1.208 1.788 -3.004 1.00 0.00 H ATOM 435 HE2 PHE A 52 3.694 1.967 -2.985 1.00 0.00 H ATOM 436 HZ PHE A 52 4.906 2.209 -0.825 1.00 0.00 H ATOM 437 HE1 PHE A 52 3.639 2.264 1.313 1.00 0.00 H ATOM 438 HD1 PHE A 52 1.164 2.063 1.299 1.00 0.00 H ATOM 439 H PHE A 52 -0.878 3.147 1.771 1.00 0.00 H ATOM 440 N HIS A 53 -3.292 3.367 -1.339 1.00 12.50 N ATOM 441 CA HIS A 53 -4.747 3.328 -1.314 1.00 12.50 C ATOM 442 C HIS A 53 -5.272 1.980 -1.779 1.00 12.50 C ATOM 443 O HIS A 53 -4.632 1.286 -2.570 1.00 12.50 O ATOM 444 CB HIS A 53 -5.377 4.421 -2.204 1.00 12.50 C ATOM 445 CG HIS A 53 -4.408 5.531 -2.567 1.00 12.50 C ATOM 446 ND1 HIS A 53 -4.793 6.570 -3.400 1.00 12.50 N ATOM 447 CD2 HIS A 53 -3.088 5.786 -2.256 1.00 12.50 C ATOM 448 CE1 HIS A 53 -3.734 7.381 -3.561 1.00 12.50 C ATOM 449 NE2 HIS A 53 -2.672 6.949 -2.893 1.00 12.50 N ATOM 450 HA HIS A 53 -5.031 3.504 -0.276 1.00 0.00 H ATOM 451 HB2 HIS A 53 -5.732 3.957 -3.124 1.00 0.00 H ATOM 452 HB3 HIS A 53 -6.221 4.859 -1.670 1.00 0.00 H ATOM 453 HD2 HIS A 53 -2.466 5.168 -1.608 1.00 0.00 H ATOM 454 HE1 HIS A 53 -3.746 8.286 -4.168 1.00 0.00 H ATOM 455 H HIS A 53 -2.802 3.651 -2.211 1.00 0.00 H ATOM 456 N TYR A 54 -6.457 1.627 -1.290 1.00 12.50 N ATOM 457 CA TYR A 54 -7.091 0.370 -1.665 1.00 12.50 C ATOM 458 C TYR A 54 -7.527 0.442 -3.120 1.00 12.50 C ATOM 459 O TYR A 54 -7.449 -0.547 -3.849 1.00 12.50 O ATOM 460 CB TYR A 54 -8.287 0.087 -0.747 1.00 12.50 C ATOM 461 CG TYR A 54 -7.805 -0.127 0.677 1.00 12.50 C ATOM 462 CD1 TYR A 54 -6.438 -0.040 0.991 1.00 12.50 C ATOM 463 CD2 TYR A 54 -8.728 -0.418 1.688 1.00 12.50 C ATOM 464 CE1 TYR A 54 -6.004 -0.243 2.302 1.00 12.50 C ATOM 465 CE2 TYR A 54 -8.289 -0.619 3.003 1.00 12.50 C ATOM 466 CZ TYR A 54 -6.929 -0.532 3.309 1.00 50.00 C ATOM 467 OH TYR A 54 -6.500 -0.735 4.605 1.00 50.00 O ATOM 468 HA TYR A 54 -6.380 -0.448 -1.551 1.00 0.00 H ATOM 469 HB3 TYR A 54 -8.804 -0.808 -1.092 1.00 0.00 H ATOM 470 HB2 TYR A 54 -8.972 0.934 -0.774 1.00 0.00 H ATOM 471 HD2 TYR A 54 -9.790 -0.488 1.452 1.00 0.00 H ATOM 472 HE2 TYR A 54 -9.010 -0.844 3.789 1.00 0.00 H ATOM 473 HE1 TYR A 54 -4.943 -0.176 2.541 1.00 0.00 H ATOM 474 HD1 TYR A 54 -5.714 0.187 0.208 1.00 0.00 H ATOM 475 HH TYR A 54 -5.516 -0.637 4.645 1.00 0.00 H ATOM 476 H TYR A 54 -6.942 2.262 -0.625 1.00 0.00 H ATOM 477 N GLY A 55 -7.942 1.634 -3.550 1.00 12.50 N ATOM 478 CA GLY A 55 -8.335 1.839 -4.938 1.00 12.50 C ATOM 479 C GLY A 55 -7.088 1.745 -5.807 1.00 12.50 C ATOM 480 O GLY A 55 -7.147 1.366 -6.981 1.00 12.50 O ATOM 481 HA3 GLY A 55 -8.790 2.823 -5.051 1.00 0.00 H ATOM 482 HA2 GLY A 55 -9.051 1.073 -5.236 1.00 0.00 H ATOM 483 H GLY A 55 -7.986 2.431 -2.883 1.00 0.00 H ATOM 484 N CYS A 56 -5.954 2.069 -5.188 1.00 12.50 N ATOM 485 CA CYS A 56 -4.659 2.005 -5.849 1.00 12.50 C ATOM 486 C CYS A 56 -4.247 0.545 -5.987 1.00 12.50 C ATOM 487 O CYS A 56 -3.850 0.091 -7.061 1.00 12.50 O ATOM 488 CB CYS A 56 -3.617 2.741 -4.993 1.00 12.50 C ATOM 489 SG CYS A 56 -2.685 3.958 -5.992 1.00 12.50 S ATOM 490 HA CYS A 56 -4.722 2.470 -6.833 1.00 0.00 H ATOM 491 HB2 CYS A 56 -2.920 2.014 -4.576 1.00 0.00 H ATOM 492 HB3 CYS A 56 -4.126 3.261 -4.181 1.00 0.00 H ATOM 493 H CYS A 56 -5.995 2.379 -4.196 1.00 0.00 H ATOM 494 N VAL A 57 -4.351 -0.183 -4.874 1.00 12.50 N ATOM 495 CA VAL A 57 -3.988 -1.593 -4.844 1.00 12.50 C ATOM 496 C VAL A 57 -5.227 -2.481 -4.946 1.00 12.50 C ATOM 497 O VAL A 57 -6.121 -2.230 -5.757 1.00 12.50 O ATOM 498 CB VAL A 57 -3.246 -1.897 -3.542 1.00 12.50 C ATOM 499 CG1 VAL A 57 -2.028 -0.984 -3.414 1.00 12.50 C ATOM 500 CG2 VAL A 57 -4.188 -1.668 -2.358 1.00 12.50 C ATOM 501 HA VAL A 57 -3.345 -1.803 -5.699 1.00 0.00 H ATOM 502 HB VAL A 57 -2.913 -2.935 -3.549 1.00 0.00 H ATOM 503 HG11 VAL A 57 -1.359 -1.152 -4.258 1.00 0.00 H ATOM 504 HG12 VAL A 57 -2.354 0.056 -3.409 1.00 0.00 H ATOM 505 HG13 VAL A 57 -1.505 -1.207 -2.484 1.00 0.00 H ATOM 506 HG21 VAL A 57 -4.521 -0.630 -2.355 1.00 0.00 H ATOM 507 HG22 VAL A 57 -5.051 -2.327 -2.449 1.00 0.00 H ATOM 508 HG23 VAL A 57 -3.661 -1.884 -1.429 1.00 0.00 H ATOM 509 H VAL A 57 -4.701 0.268 -4.005 1.00 0.00 H ATOM 510 N GLY A 58 -5.270 -3.529 -4.115 1.00 12.50 N ATOM 511 CA GLY A 58 -6.399 -4.452 -4.118 1.00 12.50 C ATOM 512 C GLY A 58 -6.645 -5.065 -2.738 1.00 12.50 C ATOM 513 O GLY A 58 -5.945 -5.995 -2.333 1.00 12.50 O ATOM 514 HA3 GLY A 58 -6.196 -5.254 -4.828 1.00 0.00 H ATOM 515 HA2 GLY A 58 -7.294 -3.912 -4.428 1.00 0.00 H ATOM 516 H GLY A 58 -4.483 -3.688 -3.454 1.00 0.00 H ATOM 517 N LEU A 59 -7.664 -4.554 -2.036 1.00 12.50 N ATOM 518 CA LEU A 59 -8.035 -5.068 -0.709 1.00 12.50 C ATOM 519 C LEU A 59 -9.148 -4.229 -0.077 1.00 12.50 C ATOM 520 O LEU A 59 -9.587 -3.223 -0.638 1.00 12.50 O ATOM 521 CB LEU A 59 -6.837 -5.137 0.266 1.00 12.50 C ATOM 522 CG LEU A 59 -5.817 -3.995 0.066 1.00 12.50 C ATOM 523 CD1 LEU A 59 -6.461 -2.734 -0.508 1.00 12.50 C ATOM 524 CD2 LEU A 59 -5.207 -3.635 1.423 1.00 12.50 C ATOM 525 HA LEU A 59 -8.392 -6.084 -0.877 1.00 0.00 H ATOM 526 HB2 LEU A 59 -7.218 -5.086 1.286 1.00 0.00 H ATOM 527 HB3 LEU A 59 -6.325 -6.088 0.118 1.00 0.00 H ATOM 528 HG LEU A 59 -5.064 -4.348 -0.639 1.00 0.00 H ATOM 529 HD21 LEU A 59 -5.997 -3.311 2.101 1.00 0.00 H ATOM 530 HD22 LEU A 59 -4.706 -4.510 1.838 1.00 0.00 H ATOM 531 HD23 LEU A 59 -4.485 -2.829 1.293 1.00 0.00 H ATOM 532 HD11 LEU A 59 -6.905 -2.963 -1.477 1.00 0.00 H ATOM 533 HD12 LEU A 59 -7.235 -2.380 0.174 1.00 0.00 H ATOM 534 HD13 LEU A 59 -5.701 -1.962 -0.629 1.00 0.00 H ATOM 535 H LEU A 59 -8.211 -3.768 -2.442 1.00 0.00 H ATOM 536 N LYS A 60 -9.597 -4.670 1.100 1.00 12.50 N ATOM 537 CA LYS A 60 -10.660 -3.984 1.834 1.00 12.50 C ATOM 538 C LYS A 60 -10.359 -4.002 3.327 1.00 12.50 C ATOM 539 O LYS A 60 -10.284 -5.070 3.939 1.00 12.50 O ATOM 540 CB LYS A 60 -12.000 -4.679 1.585 1.00 50.00 C ATOM 541 CG LYS A 60 -12.314 -4.667 0.086 1.00 50.00 C ATOM 542 CD LYS A 60 -13.746 -5.159 -0.150 1.00 50.00 C ATOM 543 CE LYS A 60 -13.840 -6.659 0.151 1.00 50.00 C ATOM 544 NZ LYS A 60 -14.119 -6.862 1.600 1.00 50.00 N ATOM 545 HA LYS A 60 -10.714 -2.952 1.486 1.00 0.00 H ATOM 546 HB2 LYS A 60 -11.945 -5.709 1.936 1.00 0.00 H ATOM 547 HB3 LYS A 60 -12.788 -4.154 2.125 1.00 0.00 H ATOM 548 HG2 LYS A 60 -12.213 -3.652 -0.297 1.00 0.00 H ATOM 549 HG3 LYS A 60 -11.616 -5.322 -0.435 1.00 0.00 H ATOM 550 HD2 LYS A 60 -14.427 -4.616 0.505 1.00 0.00 H ATOM 551 HD3 LYS A 60 -14.023 -4.981 -1.189 1.00 0.00 H ATOM 552 HE2 LYS A 60 -12.897 -7.141 -0.108 1.00 0.00 H ATOM 553 HE3 LYS A 60 -14.645 -7.098 -0.439 1.00 0.00 H ATOM 554 HZ1 LYS A 60 -13.350 -6.444 2.162 1.00 0.00 H ATOM 555 HZ2 LYS A 60 -15.019 -6.403 1.846 1.00 0.00 H ATOM 556 HZ3 LYS A 60 -14.182 -7.881 1.800 1.00 0.00 H ATOM 557 H LYS A 60 -9.177 -5.529 1.509 1.00 0.00 H ATOM 558 N GLN A 61 -10.184 -2.815 3.905 1.00 12.50 N ATOM 559 CA GLN A 61 -9.883 -2.693 5.332 1.00 12.50 C ATOM 560 C GLN A 61 -8.612 -3.461 5.691 1.00 12.50 C ATOM 561 O GLN A 61 -8.258 -3.578 6.866 1.00 12.50 O ATOM 562 CB GLN A 61 -11.052 -3.223 6.169 1.00 25.00 C ATOM 563 CG GLN A 61 -12.307 -2.393 5.896 1.00 25.00 C ATOM 564 CD GLN A 61 -13.482 -2.946 6.697 1.00 50.00 C ATOM 565 OE1 GLN A 61 -13.662 -4.162 6.779 1.00 50.00 O ATOM 566 NE2 GLN A 61 -14.294 -2.123 7.300 1.00 50.00 N ATOM 567 HA GLN A 61 -9.728 -1.637 5.552 1.00 0.00 H ATOM 568 HB2 GLN A 61 -11.242 -4.264 5.906 1.00 0.00 H ATOM 569 HB3 GLN A 61 -10.798 -3.157 7.227 1.00 0.00 H ATOM 570 HG2 GLN A 61 -12.126 -1.358 6.187 1.00 0.00 H ATOM 571 HG3 GLN A 61 -12.543 -2.434 4.833 1.00 0.00 H ATOM 572 HE22 GLN A 61 -14.141 -1.097 7.230 1.00 0.00 H ATOM 573 HE21 GLN A 61 -15.095 -2.493 7.851 1.00 0.00 H ATOM 574 H GLN A 61 -10.263 -1.953 3.328 1.00 0.00 H ATOM 575 N ALA A 62 -7.936 -3.989 4.666 1.00 12.50 N ATOM 576 CA ALA A 62 -6.710 -4.761 4.860 1.00 12.50 C ATOM 577 C ALA A 62 -7.006 -6.030 5.663 1.00 12.50 C ATOM 578 O ALA A 62 -7.654 -5.972 6.709 1.00 12.50 O ATOM 579 CB ALA A 62 -5.653 -3.917 5.583 1.00 50.00 C ATOM 580 HA ALA A 62 -6.321 -5.044 3.882 1.00 0.00 H ATOM 581 HB1 ALA A 62 -5.425 -3.033 4.987 1.00 0.00 H ATOM 582 HB2 ALA A 62 -6.037 -3.611 6.556 1.00 0.00 H ATOM 583 HB3 ALA A 62 -4.748 -4.509 5.718 1.00 0.00 H ATOM 584 H ALA A 62 -8.294 -3.846 3.700 1.00 0.00 H ATOM 585 N PRO A 63 -6.552 -7.170 5.196 1.00 16.66 N ATOM 586 CA PRO A 63 -6.782 -8.473 5.887 1.00 16.66 C ATOM 587 C PRO A 63 -6.589 -8.370 7.400 1.00 16.66 C ATOM 588 O PRO A 63 -5.854 -7.509 7.882 1.00 16.66 O ATOM 589 CB PRO A 63 -5.727 -9.390 5.269 1.00 16.66 C ATOM 590 CG PRO A 63 -5.491 -8.851 3.898 1.00 16.66 C ATOM 591 CD PRO A 63 -5.777 -7.347 3.954 1.00 16.66 C ATOM 592 HA PRO A 63 -7.803 -8.831 5.758 1.00 0.00 H ATOM 593 HD3 PRO A 63 -4.848 -6.778 3.994 1.00 0.00 H ATOM 594 HD2 PRO A 63 -6.358 -7.032 3.087 1.00 0.00 H ATOM 595 HG3 PRO A 63 -6.160 -9.333 3.185 1.00 0.00 H ATOM 596 HG2 PRO A 63 -4.457 -9.025 3.600 1.00 0.00 H ATOM 597 HB2 PRO A 63 -4.807 -9.363 5.854 1.00 0.00 H ATOM 598 HB3 PRO A 63 -6.094 -10.415 5.219 1.00 0.00 H ATOM 599 N LYS A 64 -7.255 -9.255 8.138 1.00 25.00 N ATOM 600 CA LYS A 64 -7.154 -9.258 9.596 1.00 25.00 C ATOM 601 C LYS A 64 -5.715 -9.533 10.032 1.00 25.00 C ATOM 602 O LYS A 64 -5.354 -10.668 10.345 1.00 25.00 O ATOM 603 CB LYS A 64 -8.090 -10.324 10.187 1.00 25.00 C ATOM 604 CG LYS A 64 -9.505 -10.158 9.617 1.00 25.00 C ATOM 605 CD LYS A 64 -10.052 -8.770 9.970 1.00 25.00 C ATOM 606 CE LYS A 64 -11.584 -8.786 9.918 1.00 25.00 C ATOM 607 NZ LYS A 64 -12.038 -9.463 8.668 1.00 25.00 N ATOM 608 HA LYS A 64 -7.451 -8.276 9.965 1.00 0.00 H ATOM 609 HB2 LYS A 64 -7.713 -11.315 9.934 1.00 0.00 H ATOM 610 HB3 LYS A 64 -8.123 -10.215 11.271 1.00 0.00 H ATOM 611 HG2 LYS A 64 -9.473 -10.269 8.533 1.00 0.00 H ATOM 612 HG3 LYS A 64 -10.157 -10.922 10.040 1.00 0.00 H ATOM 613 HD2 LYS A 64 -9.727 -8.497 10.974 1.00 0.00 H ATOM 614 HD3 LYS A 64 -9.673 -8.039 9.256 1.00 0.00 H ATOM 615 HE2 LYS A 64 -11.958 -7.762 9.932 1.00 0.00 H ATOM 616 HE3 LYS A 64 -11.971 -9.325 10.783 1.00 0.00 H ATOM 617 HZ1 LYS A 64 -11.670 -8.948 7.843 1.00 0.00 H ATOM 618 HZ2 LYS A 64 -11.682 -10.440 8.655 1.00 0.00 H ATOM 619 HZ3 LYS A 64 -13.078 -9.471 8.638 1.00 0.00 H ATOM 620 H LYS A 64 -7.859 -9.959 7.668 1.00 0.00 H ATOM 621 N GLY A 65 -4.898 -8.481 10.045 1.00 25.00 N ATOM 622 CA GLY A 65 -3.498 -8.609 10.440 1.00 25.00 C ATOM 623 C GLY A 65 -2.654 -7.492 9.836 1.00 25.00 C ATOM 624 O GLY A 65 -2.461 -6.446 10.455 1.00 25.00 O ATOM 625 HA3 GLY A 65 -3.117 -9.570 10.095 1.00 0.00 H ATOM 626 HA2 GLY A 65 -3.428 -8.561 11.527 1.00 0.00 H ATOM 627 H GLY A 65 -5.265 -7.548 9.768 1.00 0.00 H ATOM 628 N LYS A 66 -2.146 -7.723 8.627 1.00 12.50 N ATOM 629 CA LYS A 66 -1.317 -6.726 7.960 1.00 12.50 C ATOM 630 C LYS A 66 -1.356 -6.898 6.444 1.00 12.50 C ATOM 631 O LYS A 66 -1.413 -8.018 5.933 1.00 12.50 O ATOM 632 CB LYS A 66 0.129 -6.845 8.451 1.00 12.50 C ATOM 633 CG LYS A 66 0.682 -8.233 8.100 1.00 12.50 C ATOM 634 CD LYS A 66 2.118 -8.367 8.615 1.00 12.50 C ATOM 635 CE LYS A 66 2.592 -9.810 8.428 1.00 12.50 C ATOM 636 NZ LYS A 66 2.366 -10.225 7.014 1.00 12.50 N ATOM 637 HA LYS A 66 -1.712 -5.740 8.203 1.00 0.00 H ATOM 638 HB2 LYS A 66 0.739 -6.080 7.971 1.00 0.00 H ATOM 639 HB3 LYS A 66 0.158 -6.706 9.532 1.00 0.00 H ATOM 640 HG2 LYS A 66 0.059 -8.998 8.563 1.00 0.00 H ATOM 641 HG3 LYS A 66 0.672 -8.363 7.018 1.00 0.00 H ATOM 642 HD2 LYS A 66 2.769 -7.695 8.057 1.00 0.00 H ATOM 643 HD3 LYS A 66 2.151 -8.107 9.673 1.00 0.00 H ATOM 644 HE2 LYS A 66 2.032 -10.466 9.094 1.00 0.00 H ATOM 645 HE3 LYS A 66 3.654 -9.878 8.662 1.00 0.00 H ATOM 646 HZ1 LYS A 66 1.352 -10.160 6.793 1.00 0.00 H ATOM 647 HZ2 LYS A 66 2.901 -9.598 6.380 1.00 0.00 H ATOM 648 HZ3 LYS A 66 2.688 -11.206 6.886 1.00 0.00 H ATOM 649 H LYS A 66 -2.343 -8.627 8.152 1.00 0.00 H ATOM 650 N TRP A 67 -1.307 -5.773 5.737 1.00 99.99 N ATOM 651 CA TRP A 67 -1.314 -5.780 4.281 1.00 99.99 C ATOM 652 C TRP A 67 0.013 -5.235 3.771 1.00 99.99 C ATOM 653 O TRP A 67 0.780 -4.640 4.530 1.00 99.99 O ATOM 654 CB TRP A 67 -2.481 -4.928 3.768 1.00 99.99 C ATOM 655 CG TRP A 67 -2.287 -4.571 2.325 1.00 99.99 C ATOM 656 CD1 TRP A 67 -1.677 -3.450 1.887 1.00 99.99 C ATOM 657 CD2 TRP A 67 -2.694 -5.305 1.134 1.00 99.99 C ATOM 658 NE1 TRP A 67 -1.699 -3.436 0.507 1.00 99.99 N ATOM 659 CE2 TRP A 67 -2.306 -4.562 -0.006 1.00 99.99 C ATOM 660 CE3 TRP A 67 -3.357 -6.527 0.932 1.00 99.99 C ATOM 661 CZ2 TRP A 67 -2.564 -5.013 -1.298 1.00 99.99 C ATOM 662 CZ3 TRP A 67 -3.619 -6.986 -0.370 1.00 99.99 C ATOM 663 CH2 TRP A 67 -3.222 -6.230 -1.483 1.00 99.99 C ATOM 664 HA TRP A 67 -1.442 -6.799 3.915 1.00 0.00 H ATOM 665 HB2 TRP A 67 -3.408 -5.490 3.876 1.00 0.00 H ATOM 666 HB3 TRP A 67 -2.542 -4.013 4.357 1.00 0.00 H ATOM 667 HE1 TRP A 67 -1.305 -2.669 -0.075 1.00 0.00 H ATOM 668 HD1 TRP A 67 -1.238 -2.680 2.521 1.00 0.00 H ATOM 669 HZ2 TRP A 67 -2.254 -4.420 -2.159 1.00 0.00 H ATOM 670 HH2 TRP A 67 -3.427 -6.592 -2.490 1.00 0.00 H ATOM 671 HZ3 TRP A 67 -4.134 -7.936 -0.516 1.00 0.00 H ATOM 672 HE3 TRP A 67 -3.670 -7.122 1.790 1.00 0.00 H ATOM 673 H TRP A 67 -1.262 -4.863 6.238 1.00 0.00 H ATOM 674 N TYR A 68 0.283 -5.443 2.490 1.00 99.99 N ATOM 675 CA TYR A 68 1.522 -4.969 1.900 1.00 99.99 C ATOM 676 C TYR A 68 1.245 -3.894 0.869 1.00 99.99 C ATOM 677 O TYR A 68 0.492 -4.102 -0.078 1.00 99.99 O ATOM 678 CB TYR A 68 2.273 -6.132 1.277 1.00 99.99 C ATOM 679 CG TYR A 68 3.110 -6.775 2.356 1.00 99.99 C ATOM 680 CD1 TYR A 68 4.325 -6.191 2.740 1.00 99.99 C ATOM 681 CD2 TYR A 68 2.667 -7.945 2.984 1.00 99.99 C ATOM 682 CE1 TYR A 68 5.094 -6.779 3.749 1.00 99.99 C ATOM 683 CE2 TYR A 68 3.438 -8.532 3.994 1.00 99.99 C ATOM 684 CZ TYR A 68 4.653 -7.949 4.375 1.00 99.99 C ATOM 685 OH TYR A 68 5.412 -8.527 5.372 1.00 99.99 O ATOM 686 HA TYR A 68 2.141 -4.531 2.683 1.00 0.00 H ATOM 687 HB3 TYR A 68 2.916 -5.771 0.475 1.00 0.00 H ATOM 688 HB2 TYR A 68 1.566 -6.857 0.875 1.00 0.00 H ATOM 689 HD2 TYR A 68 1.722 -8.399 2.686 1.00 0.00 H ATOM 690 HE2 TYR A 68 3.093 -9.443 4.484 1.00 0.00 H ATOM 691 HE1 TYR A 68 6.039 -6.325 4.048 1.00 0.00 H ATOM 692 HD1 TYR A 68 4.670 -5.279 2.252 1.00 0.00 H ATOM 693 HH TYR A 68 6.232 -7.991 5.514 1.00 0.00 H ATOM 694 H TYR A 68 -0.403 -5.954 1.898 1.00 0.00 H ATOM 695 N CYS A 69 1.855 -2.743 1.099 1.00 99.99 N ATOM 696 CA CYS A 69 1.701 -1.568 0.249 1.00 99.99 C ATOM 697 C CYS A 69 1.328 -1.894 -1.198 1.00 99.99 C ATOM 698 O CYS A 69 0.579 -1.144 -1.822 1.00 99.99 O ATOM 699 CB CYS A 69 2.986 -0.745 0.274 1.00 99.99 C ATOM 700 SG CYS A 69 4.451 -1.795 0.660 1.00 99.99 S ATOM 701 HA CYS A 69 0.867 -0.999 0.660 1.00 0.00 H ATOM 702 HB2 CYS A 69 2.896 0.031 1.034 1.00 0.00 H ATOM 703 HB3 CYS A 69 3.129 -0.281 -0.702 1.00 0.00 H ATOM 704 H CYS A 69 2.477 -2.672 1.929 1.00 0.00 H ATOM 705 N SER A 70 1.846 -2.993 -1.732 1.00 99.99 N ATOM 706 CA SER A 70 1.546 -3.370 -3.110 1.00 99.99 C ATOM 707 C SER A 70 1.842 -4.845 -3.336 1.00 99.99 C ATOM 708 O SER A 70 2.514 -5.483 -2.525 1.00 99.99 O ATOM 709 CB SER A 70 2.385 -2.532 -4.076 1.00 99.99 C ATOM 710 OG SER A 70 1.903 -1.194 -4.077 1.00 99.99 O ATOM 711 HA SER A 70 0.487 -3.188 -3.293 1.00 0.00 H ATOM 712 HB2 SER A 70 2.308 -2.948 -5.081 1.00 0.00 H ATOM 713 HB3 SER A 70 3.427 -2.544 -3.758 1.00 0.00 H ATOM 714 HG SER A 70 1.974 -0.818 -3.164 1.00 0.00 H ATOM 715 H SER A 70 2.474 -3.594 -1.161 1.00 0.00 H ATOM 716 N LYS A 71 1.346 -5.378 -4.451 1.00 99.99 N ATOM 717 CA LYS A 71 1.577 -6.778 -4.784 1.00 99.99 C ATOM 718 C LYS A 71 3.062 -7.095 -4.662 1.00 99.99 C ATOM 719 O LYS A 71 3.449 -8.233 -4.392 1.00 99.99 O ATOM 720 CB LYS A 71 1.100 -7.064 -6.207 1.00 99.99 C ATOM 721 CG LYS A 71 -0.394 -6.746 -6.324 1.00 99.99 C ATOM 722 CD LYS A 71 -0.923 -7.274 -7.661 1.00 99.99 C ATOM 723 CE LYS A 71 -2.353 -6.771 -7.908 1.00 99.99 C ATOM 724 NZ LYS A 71 -2.951 -6.268 -6.636 1.00 99.99 N ATOM 725 HA LYS A 71 1.017 -7.406 -4.092 1.00 0.00 H ATOM 726 HB2 LYS A 71 1.659 -6.444 -6.908 1.00 0.00 H ATOM 727 HB3 LYS A 71 1.266 -8.116 -6.441 1.00 0.00 H ATOM 728 HG2 LYS A 71 -0.933 -7.223 -5.505 1.00 0.00 H ATOM 729 HG3 LYS A 71 -0.542 -5.667 -6.275 1.00 0.00 H ATOM 730 HD2 LYS A 71 -0.276 -6.926 -8.466 1.00 0.00 H ATOM 731 HD3 LYS A 71 -0.924 -8.364 -7.642 1.00 0.00 H ATOM 732 HE2 LYS A 71 -2.961 -7.590 -8.293 1.00 0.00 H ATOM 733 HE3 LYS A 71 -2.329 -5.963 -8.639 1.00 0.00 H ATOM 734 HZ1 LYS A 71 -2.977 -7.039 -5.938 1.00 0.00 H ATOM 735 HZ2 LYS A 71 -2.373 -5.485 -6.269 1.00 0.00 H ATOM 736 HZ3 LYS A 71 -3.918 -5.931 -6.818 1.00 0.00 H ATOM 737 H LYS A 71 0.784 -4.785 -5.095 1.00 0.00 H ATOM 738 N ASP A 72 3.886 -6.063 -4.845 1.00 99.99 N ATOM 739 CA ASP A 72 5.331 -6.208 -4.739 1.00 99.99 C ATOM 740 C ASP A 72 5.767 -5.977 -3.297 1.00 99.99 C ATOM 741 O ASP A 72 6.472 -6.800 -2.720 1.00 99.99 O ATOM 742 CB ASP A 72 6.030 -5.200 -5.657 1.00 99.99 C ATOM 743 CG ASP A 72 5.643 -5.440 -7.118 1.00 99.99 C ATOM 744 OD1 ASP A 72 5.105 -6.498 -7.409 1.00 99.99 O ATOM 745 OD2 ASP A 72 5.893 -4.562 -7.926 1.00 99.99 O ATOM 746 HA ASP A 72 5.609 -7.217 -5.043 1.00 0.00 H ATOM 747 HB2 ASP A 72 5.736 -4.190 -5.370 1.00 0.00 H ATOM 748 HB3 ASP A 72 7.109 -5.307 -5.550 1.00 0.00 H ATOM 749 H ASP A 72 3.486 -5.130 -5.069 1.00 0.00 H ATOM 750 N CYS A 73 5.320 -4.856 -2.722 1.00 12.50 N ATOM 751 CA CYS A 73 5.639 -4.509 -1.331 1.00 12.50 C ATOM 752 C CYS A 73 5.696 -5.788 -0.476 1.00 12.50 C ATOM 753 O CYS A 73 6.537 -5.913 0.412 1.00 12.50 O ATOM 754 CB CYS A 73 4.555 -3.543 -0.812 1.00 12.50 C ATOM 755 SG CYS A 73 5.245 -2.198 0.281 1.00 12.50 S ATOM 756 HA CYS A 73 6.613 -4.023 -1.270 1.00 0.00 H ATOM 757 HB2 CYS A 73 3.824 -4.115 -0.241 1.00 0.00 H ATOM 758 HB3 CYS A 73 4.064 -3.079 -1.667 1.00 0.00 H ATOM 759 H CYS A 73 4.727 -4.208 -3.278 1.00 0.00 H ATOM 760 N LYS A 74 4.817 -6.754 -0.783 1.00 12.50 N ATOM 761 CA LYS A 74 4.798 -8.033 -0.065 1.00 12.50 C ATOM 762 C LYS A 74 5.943 -8.919 -0.542 1.00 12.50 C ATOM 763 O LYS A 74 6.787 -9.344 0.247 1.00 12.50 O ATOM 764 CB LYS A 74 3.474 -8.768 -0.312 1.00 16.66 C ATOM 765 CG LYS A 74 3.430 -10.047 0.534 1.00 16.66 C ATOM 766 CD LYS A 74 2.018 -10.639 0.495 1.00 50.00 C ATOM 767 CE LYS A 74 1.900 -11.760 1.532 1.00 50.00 C ATOM 768 NZ LYS A 74 2.803 -12.885 1.158 1.00 50.00 N ATOM 769 HA LYS A 74 4.907 -7.825 0.999 1.00 0.00 H ATOM 770 HB2 LYS A 74 2.642 -8.121 -0.035 1.00 0.00 H ATOM 771 HB3 LYS A 74 3.394 -9.028 -1.368 1.00 0.00 H ATOM 772 HG2 LYS A 74 4.139 -10.772 0.134 1.00 0.00 H ATOM 773 HG3 LYS A 74 3.696 -9.811 1.564 1.00 0.00 H ATOM 774 HD2 LYS A 74 1.291 -9.859 0.720 1.00 0.00 H ATOM 775 HD3 LYS A 74 1.821 -11.042 -0.499 1.00 0.00 H ATOM 776 HE2 LYS A 74 0.871 -12.117 1.565 1.00 0.00 H ATOM 777 HE3 LYS A 74 2.183 -11.378 2.513 1.00 0.00 H ATOM 778 HZ1 LYS A 74 2.532 -13.249 0.222 1.00 0.00 H ATOM 779 HZ2 LYS A 74 3.785 -12.544 1.127 1.00 0.00 H ATOM 780 HZ3 LYS A 74 2.720 -13.644 1.864 1.00 0.00 H ATOM 781 H LYS A 74 4.132 -6.592 -1.549 1.00 0.00 H ATOM 782 N GLU A 75 5.956 -9.194 -1.846 1.00 12.50 N ATOM 783 CA GLU A 75 6.993 -10.028 -2.444 1.00 12.50 C ATOM 784 C GLU A 75 8.377 -9.483 -2.102 1.00 12.50 C ATOM 785 O GLU A 75 9.342 -10.241 -1.984 1.00 12.50 O ATOM 786 CB GLU A 75 6.807 -10.067 -3.966 1.00 50.00 C ATOM 787 CG GLU A 75 7.298 -11.410 -4.522 1.00 50.00 C ATOM 788 CD GLU A 75 6.503 -12.562 -3.908 1.00 50.00 C ATOM 789 OE1 GLU A 75 5.289 -12.554 -4.033 1.00 50.00 O ATOM 790 OE2 GLU A 75 7.120 -13.435 -3.322 1.00 50.00 O ATOM 791 HA GLU A 75 6.909 -11.038 -2.043 1.00 0.00 H ATOM 792 HB2 GLU A 75 5.751 -9.942 -4.204 1.00 0.00 H ATOM 793 HB3 GLU A 75 7.378 -9.258 -4.420 1.00 0.00 H ATOM 794 HG2 GLU A 75 7.169 -11.420 -5.604 1.00 0.00 H ATOM 795 HG3 GLU A 75 8.354 -11.534 -4.283 1.00 0.00 H ATOM 796 H GLU A 75 5.207 -8.804 -2.453 1.00 0.00 H ATOM 797 N ILE A 76 8.462 -8.165 -1.931 1.00 16.66 N ATOM 798 CA ILE A 76 9.725 -7.522 -1.588 1.00 16.66 C ATOM 799 C ILE A 76 10.147 -7.926 -0.178 1.00 16.66 C ATOM 800 O ILE A 76 11.338 -8.033 0.119 1.00 16.66 O ATOM 801 CB ILE A 76 9.574 -5.996 -1.677 1.00 50.00 C ATOM 802 CG1 ILE A 76 9.212 -5.601 -3.117 1.00 50.00 C ATOM 803 CG2 ILE A 76 10.891 -5.319 -1.286 1.00 50.00 C ATOM 804 CD1 ILE A 76 8.641 -4.178 -3.142 1.00 50.00 C ATOM 805 HA ILE A 76 10.493 -7.843 -2.292 1.00 0.00 H ATOM 806 HB ILE A 76 8.786 -5.675 -0.996 1.00 0.00 H ATOM 807 HG12 ILE A 76 10.106 -5.643 -3.739 1.00 0.00 H ATOM 808 HG13 ILE A 76 8.468 -6.296 -3.506 1.00 0.00 H ATOM 809 HD11 ILE A 76 7.746 -4.136 -2.522 1.00 0.00 H ATOM 810 HD12 ILE A 76 9.385 -3.482 -2.755 1.00 0.00 H ATOM 811 HD13 ILE A 76 8.388 -3.908 -4.167 1.00 0.00 H ATOM 812 HG21 ILE A 76 11.151 -5.596 -0.265 1.00 0.00 H ATOM 813 HG22 ILE A 76 11.680 -5.643 -1.964 1.00 0.00 H ATOM 814 HG23 ILE A 76 10.775 -4.237 -1.352 1.00 0.00 H ATOM 815 H ILE A 76 7.609 -7.581 -2.045 1.00 0.00 H ATOM 816 N ALA A 77 9.156 -8.160 0.682 1.00 50.00 N ATOM 817 CA ALA A 77 9.419 -8.564 2.059 1.00 50.00 C ATOM 818 C ALA A 77 9.852 -10.024 2.107 1.00 50.00 C ATOM 819 O ALA A 77 10.636 -10.422 2.969 1.00 50.00 O ATOM 820 CB ALA A 77 8.162 -8.363 2.914 1.00 50.00 C ATOM 821 HA ALA A 77 10.223 -7.946 2.458 1.00 0.00 H ATOM 822 HB1 ALA A 77 7.877 -7.311 2.897 1.00 0.00 H ATOM 823 HB2 ALA A 77 7.350 -8.968 2.511 1.00 0.00 H ATOM 824 HB3 ALA A 77 8.369 -8.668 3.940 1.00 0.00 H ATOM 825 H ALA A 77 8.172 -8.052 0.364 1.00 0.00 H ATOM 826 N ASN A 78 9.346 -10.816 1.164 1.00 50.00 N ATOM 827 CA ASN A 78 9.697 -12.229 1.094 1.00 50.00 C ATOM 828 C ASN A 78 11.143 -12.379 0.626 1.00 50.00 C ATOM 829 O ASN A 78 11.811 -13.363 0.945 1.00 50.00 O ATOM 830 CB ASN A 78 8.750 -12.957 0.135 1.00 50.00 C ATOM 831 CG ASN A 78 7.303 -12.761 0.585 1.00 50.00 C ATOM 832 OD1 ASN A 78 6.422 -12.521 -0.241 1.00 50.00 O ATOM 833 ND2 ASN A 78 7.004 -12.852 1.853 1.00 50.00 N ATOM 834 HA ASN A 78 9.599 -12.673 2.085 1.00 0.00 H ATOM 835 HB2 ASN A 78 8.874 -12.555 -0.870 1.00 0.00 H ATOM 836 HB3 ASN A 78 8.987 -14.021 0.131 1.00 0.00 H ATOM 837 HD22 ASN A 78 7.749 -13.055 2.550 1.00 0.00 H ATOM 838 HD21 ASN A 78 6.021 -12.722 2.166 1.00 0.00 H ATOM 839 H ASN A 78 8.688 -10.419 0.464 1.00 0.00 H ATOM 840 N GLN A 79 11.616 -11.375 -0.115 1.00 25.00 N ATOM 841 CA GLN A 79 12.990 -11.355 -0.621 1.00 25.00 C ATOM 842 C GLN A 79 13.306 -12.583 -1.473 1.00 25.00 C ATOM 843 O GLN A 79 13.582 -13.662 -0.945 1.00 25.00 O ATOM 844 CB GLN A 79 13.977 -11.275 0.550 1.00 25.00 C ATOM 845 CG GLN A 79 13.712 -10.001 1.361 1.00 25.00 C ATOM 846 CD GLN A 79 14.632 -9.947 2.578 1.00 50.00 C ATOM 847 OE1 GLN A 79 15.203 -10.964 2.976 1.00 50.00 O ATOM 848 NE2 GLN A 79 14.811 -8.813 3.198 1.00 50.00 N ATOM 849 HA GLN A 79 13.091 -10.474 -1.255 1.00 0.00 H ATOM 850 HB2 GLN A 79 13.850 -12.147 1.192 1.00 0.00 H ATOM 851 HB3 GLN A 79 14.996 -11.254 0.165 1.00 0.00 H ATOM 852 HG2 GLN A 79 13.895 -9.130 0.732 1.00 0.00 H ATOM 853 HG3 GLN A 79 12.674 -9.996 1.694 1.00 0.00 H ATOM 854 HE22 GLN A 79 14.329 -7.955 2.862 1.00 0.00 H ATOM 855 HE21 GLN A 79 15.436 -8.767 4.028 1.00 0.00 H ATOM 856 H GLN A 79 10.987 -10.579 -0.341 1.00 0.00 H ATOM 857 N ARG A 80 13.284 -12.397 -2.794 1.00 25.00 N ATOM 858 CA ARG A 80 13.588 -13.473 -3.742 1.00 25.00 C ATOM 859 C ARG A 80 12.965 -14.801 -3.310 1.00 25.00 C ATOM 860 O ARG A 80 13.578 -15.576 -2.572 1.00 25.00 O ATOM 861 CB ARG A 80 15.107 -13.637 -3.872 1.00 50.00 C ATOM 862 CG ARG A 80 15.714 -12.350 -4.441 1.00 50.00 C ATOM 863 CD ARG A 80 17.225 -12.525 -4.606 1.00 50.00 C ATOM 864 NE ARG A 80 17.853 -11.240 -4.897 1.00 50.00 N ATOM 865 CZ ARG A 80 19.167 -11.139 -5.085 1.00 50.00 C ATOM 866 NH1 ARG A 80 19.924 -12.201 -5.012 1.00 50.00 N ATOM 867 NH2 ARG A 80 19.700 -9.976 -5.342 1.00 50.00 N ATOM 868 HA ARG A 80 13.159 -13.198 -4.705 1.00 0.00 H ATOM 869 HB2 ARG A 80 15.536 -13.838 -2.890 1.00 0.00 H ATOM 870 HB3 ARG A 80 15.327 -14.469 -4.541 1.00 0.00 H ATOM 871 HG2 ARG A 80 15.265 -12.135 -5.411 1.00 0.00 H ATOM 872 HG3 ARG A 80 15.517 -11.523 -3.759 1.00 0.00 H ATOM 873 HD2 ARG A 80 17.420 -13.215 -5.427 1.00 0.00 H ATOM 874 HD3 ARG A 80 17.643 -12.930 -3.685 1.00 0.00 H ATOM 875 HE ARG A 80 17.262 -10.386 -4.959 1.00 0.00 H ATOM 876 HH12 ARG A 80 20.950 -12.119 -5.159 1.00 0.00 H ATOM 877 HH11 ARG A 80 19.500 -13.128 -4.807 1.00 0.00 H ATOM 878 HH22 ARG A 80 20.726 -9.895 -5.489 1.00 0.00 H ATOM 879 HH21 ARG A 80 19.098 -9.130 -5.400 1.00 0.00 H ATOM 880 H ARG A 80 13.043 -11.456 -3.164 1.00 0.00 H ATOM 881 N SER A 81 11.752 -15.062 -3.787 1.00 25.00 N ATOM 882 CA SER A 81 11.057 -16.302 -3.455 1.00 25.00 C ATOM 883 C SER A 81 10.296 -16.829 -4.667 1.00 25.00 C ATOM 884 O SER A 81 9.768 -16.051 -5.465 1.00 25.00 O ATOM 885 CB SER A 81 10.084 -16.064 -2.298 1.00 50.00 C ATOM 886 OG SER A 81 9.015 -15.243 -2.745 1.00 50.00 O ATOM 887 HA SER A 81 11.798 -17.044 -3.156 1.00 0.00 H ATOM 888 HB2 SER A 81 10.606 -15.569 -1.479 1.00 0.00 H ATOM 889 HB3 SER A 81 9.690 -17.019 -1.951 1.00 0.00 H ATOM 890 HG SER A 81 8.542 -15.694 -3.489 1.00 0.00 H ATOM 891 H SER A 81 11.289 -14.369 -4.409 1.00 0.00 H ATOM 892 N LYS A 82 10.248 -18.152 -4.800 1.00 50.00 N ATOM 893 CA LYS A 82 9.552 -18.781 -5.920 1.00 50.00 C ATOM 894 C LYS A 82 8.072 -18.403 -5.919 1.00 50.00 C ATOM 895 O LYS A 82 7.422 -18.403 -6.965 1.00 50.00 O ATOM 896 CB LYS A 82 9.693 -20.304 -5.834 1.00 50.00 C ATOM 897 CG LYS A 82 11.157 -20.695 -6.062 1.00 50.00 C ATOM 898 CD LYS A 82 11.273 -22.219 -6.177 1.00 50.00 C ATOM 899 CE LYS A 82 12.750 -22.625 -6.206 1.00 50.00 C ATOM 900 NZ LYS A 82 13.512 -21.690 -7.083 1.00 50.00 N ATOM 901 HA LYS A 82 10.003 -18.425 -6.847 1.00 0.00 H ATOM 902 HB2 LYS A 82 9.375 -20.644 -4.848 1.00 0.00 H ATOM 903 HB3 LYS A 82 9.069 -20.771 -6.596 1.00 0.00 H ATOM 904 HG2 LYS A 82 11.517 -20.234 -6.982 1.00 0.00 H ATOM 905 HG3 LYS A 82 11.760 -20.348 -5.223 1.00 0.00 H ATOM 906 HD2 LYS A 82 10.786 -22.685 -5.321 1.00 0.00 H ATOM 907 HD3 LYS A 82 10.788 -22.551 -7.095 1.00 0.00 H ATOM 908 HE2 LYS A 82 12.839 -23.640 -6.594 1.00 0.00 H ATOM 909 HE3 LYS A 82 13.156 -22.586 -5.195 1.00 0.00 H ATOM 910 HZ1 LYS A 82 13.125 -21.728 -8.047 1.00 0.00 H ATOM 911 HZ2 LYS A 82 13.427 -20.722 -6.712 1.00 0.00 H ATOM 912 HZ3 LYS A 82 14.513 -21.970 -7.099 1.00 0.00 H ATOM 913 H LYS A 82 10.716 -18.752 -4.091 1.00 0.00 H ATOM 914 N SER A 83 7.550 -18.080 -4.737 1.00 50.00 N ATOM 915 CA SER A 83 6.148 -17.698 -4.605 1.00 50.00 C ATOM 916 C SER A 83 5.836 -16.482 -5.477 1.00 50.00 C ATOM 917 O SER A 83 6.496 -15.470 -5.306 1.00 0.00 O ATOM 918 CB SER A 83 5.830 -17.376 -3.143 1.00 50.00 C ATOM 919 OG SER A 83 5.859 -18.576 -2.382 1.00 50.00 O ATOM 920 HA SER A 83 5.531 -18.534 -4.936 1.00 0.00 H ATOM 921 HB2 SER A 83 4.840 -16.925 -3.076 1.00 0.00 H ATOM 922 HB3 SER A 83 6.572 -16.679 -2.753 1.00 0.00 H ATOM 923 HG SER A 83 5.654 -18.370 -1.436 1.00 0.00 H ATOM 924 H SER A 83 8.154 -18.100 -3.891 1.00 0.00 H TER 925 SER A 83 HETATM 926 ZN ZN A 1 5.290 -1.103 -0.354 1.00 12.50 ZN HETATM 927 ZN ZN A 2 -3.045 5.033 -5.404 1.00 12.50 ZN HETATM 928 N ALA A 3 -0.350 -3.886 9.644 1.00 0.24 N HETATM 929 CA ALA A 3 0.281 -2.709 8.980 1.00 0.06 C HETATM 930 C ALA A 3 -0.495 -1.444 9.335 1.00 0.23 C HETATM 931 O ALA A 3 -1.722 -1.468 9.432 1.00 -0.39 O HETATM 932 N ALA A 3 0.226 -0.334 9.511 1.00 -0.26 N HETATM 933 CA ALA A 3 -0.417 0.942 9.834 1.00 0.13 C HETATM 934 C ALA A 3 -1.354 1.319 8.693 1.00 0.20 C HETATM 935 O ALA A 3 -0.911 1.485 7.556 1.00 -0.39 O HETATM 936 N ALA A 3 -2.653 1.415 8.980 1.00 -0.26 N HETATM 937 CA ALA A 3 -3.616 1.727 7.929 1.00 0.16 C HETATM 938 C ALA A 3 -4.489 2.934 8.247 1.00 0.21 C HETATM 939 O ALA A 3 -4.757 3.256 9.406 1.00 -0.39 O HETATM 940 N ALA A 3 -4.966 3.547 7.172 1.00 -0.26 N HETATM 941 CA ALA A 3 -5.871 4.684 7.239 1.00 0.13 C HETATM 942 CB ALA A 3 -5.105 6.013 7.010 1.00 -0.01 C HETATM 943 CG ALA A 3 -5.440 6.628 5.638 1.00 -0.04 C HETATM 944 CD ALA A 3 -5.093 8.126 5.606 1.00 -0.01 C HETATM 945 CE ALA A 3 -3.631 8.372 6.030 1.00 -0.03 C HETATM 946 NZ ALA A 3 -2.743 8.510 4.826 1.00 0.24 N HETATM 947 CM1 ALA A 3 -3.189 9.659 3.971 1.00 -0.04 C HETATM 948 H38 ALA A 3 -2.527 9.743 3.096 1.00 0.08 H HETATM 949 H39 ALA A 3 -3.145 10.590 4.555 1.00 0.08 H HETATM 950 H40 ALA A 3 -4.222 9.486 3.634 1.00 0.08 H HETATM 951 CM2 ALA A 3 -2.784 7.248 4.029 1.00 -0.04 C HETATM 952 H41 ALA A 3 -2.457 6.407 4.657 1.00 0.08 H HETATM 953 H42 ALA A 3 -2.114 7.340 3.162 1.00 0.08 H HETATM 954 H43 ALA A 3 -3.812 7.067 3.681 1.00 0.08 H HETATM 955 CM3 ALA A 3 -1.342 8.756 5.282 1.00 -0.04 C HETATM 956 H44 ALA A 3 -1.306 9.685 5.870 1.00 0.08 H HETATM 957 H45 ALA A 3 -0.683 8.850 4.407 1.00 0.08 H HETATM 958 H46 ALA A 3 -1.006 7.914 5.905 1.00 0.08 H HETATM 959 H36 ALA A 3 -3.284 7.524 6.639 1.00 0.08 H HETATM 960 H37 ALA A 3 -3.578 9.296 6.625 1.00 0.08 H HETATM 961 H34 ALA A 3 -5.761 8.663 6.295 1.00 0.03 H HETATM 962 H35 ALA A 3 -5.238 8.506 4.584 1.00 0.03 H HETATM 963 H32 ALA A 3 -6.515 6.503 5.441 1.00 0.03 H HETATM 964 H33 ALA A 3 -4.862 6.108 4.860 1.00 0.03 H HETATM 965 H30 ALA A 3 -4.024 5.816 7.059 1.00 0.03 H HETATM 966 H31 ALA A 3 -5.383 6.727 7.799 1.00 0.03 H HETATM 967 C ALA A 3 -6.940 4.443 6.177 1.00 0.20 C HETATM 968 O ALA A 3 -6.641 4.430 4.983 1.00 -0.39 O HETATM 969 N ALA A 3 -8.169 4.181 6.611 1.00 -0.26 N HETATM 970 CA ALA A 3 -9.233 3.876 5.660 1.00 0.13 C HETATM 971 C ALA A 3 -10.423 4.823 5.788 1.00 0.20 C HETATM 972 O ALA A 3 -10.558 5.551 6.772 1.00 -0.39 O HETATM 973 N ALA A 3 -11.286 4.788 4.771 1.00 -0.26 N HETATM 974 CA ALA A 3 -12.482 5.626 4.738 1.00 0.16 C HETATM 975 C ALA A 3 -13.514 5.026 3.781 1.00 0.21 C HETATM 976 O ALA A 3 -14.265 5.752 3.128 1.00 -0.39 O HETATM 977 N ALA A 3 -13.538 3.694 3.703 1.00 -0.26 N HETATM 978 CA ALA A 3 -14.476 2.995 2.820 1.00 0.13 C HETATM 979 C ALA A 3 -14.196 3.328 1.354 1.00 0.20 C HETATM 980 O ALA A 3 -13.357 4.174 1.051 1.00 -0.39 O HETATM 981 N ALA A 3 -14.905 2.651 0.448 1.00 -0.26 N HETATM 982 CA ALA A 3 -14.724 2.877 -0.987 1.00 0.13 C HETATM 983 C ALA A 3 -16.049 3.247 -1.652 1.00 0.20 C HETATM 984 O ALA A 3 -17.110 2.758 -1.261 1.00 -0.39 O HETATM 985 N ALA A 3 -15.974 4.110 -2.666 1.00 -0.27 N HETATM 986 CA ALA A 3 -17.167 4.540 -3.392 1.00 0.09 C HETATM 987 C ALA A 3 -17.582 3.490 -4.425 1.00 0.06 C HETATM 988 O ALA A 3 -18.709 3.555 -4.886 1.00 -0.57 O HETATM 989 O1 ALA A 3 -16.783 2.586 -4.788 1.00 -0.57 O HETATM 990 CB ALA A 3 -16.903 5.879 -4.094 1.00 -0.02 C HETATM 991 CG ALA A 3 -15.768 5.717 -5.115 1.00 -0.04 C HETATM 992 CD ALA A 3 -15.513 7.053 -5.825 1.00 -0.01 C HETATM 993 CE ALA A 3 -15.029 8.102 -4.816 1.00 -0.04 C HETATM 994 NZ ALA A 3 -13.990 7.505 -3.929 1.00 0.22 N HETATM 995 H91 ALA A 3 -13.675 8.197 -3.268 1.00 0.20 H HETATM 996 H92 ALA A 3 -13.210 7.194 -4.487 1.00 0.20 H HETATM 997 H93 ALA A 3 -14.382 6.720 -3.433 1.00 0.20 H HETATM 998 H89 ALA A 3 -15.879 8.442 -4.206 1.00 0.08 H HETATM 999 H90 ALA A 3 -14.600 8.959 -5.357 1.00 0.08 H HETATM 1000 H87 ALA A 3 -16.446 7.401 -6.292 1.00 0.03 H HETATM 1001 H88 ALA A 3 -14.745 6.912 -6.600 1.00 0.03 H HETATM 1002 H85 ALA A 3 -16.051 4.957 -5.858 1.00 0.03 H HETATM 1003 H86 ALA A 3 -14.852 5.399 -4.596 1.00 0.03 H HETATM 1004 H83 ALA A 3 -16.616 6.633 -3.346 1.00 0.03 H HETATM 1005 H84 ALA A 3 -17.817 6.206 -4.612 1.00 0.03 H HETATM 1006 H81 ALA A 3 -17.988 4.671 -2.672 1.00 0.07 H HETATM 1007 H80 ALA A 3 -15.081 4.471 -2.936 1.00 0.19 H HETATM 1008 CB ALA A 3 -14.164 1.612 -1.642 1.00 -0.01 C HETATM 1009 CG ALA A 3 -13.420 1.984 -2.929 1.00 -0.02 C HETATM 1010 CD ALA A 3 -13.269 0.747 -3.820 1.00 0.06 C HETATM 1011 NE ALA A 3 -12.896 -0.419 -3.019 1.00 -0.27 N HETATM 1012 CZ ALA A 3 -13.788 -1.347 -2.674 1.00 0.29 C HETATM 1013 NH1 ALA A 3 -15.038 -1.236 -3.040 1.00 -0.28 N HETATM 1014 H76 ALA A 3 -15.720 -1.958 -2.768 1.00 0.26 H HETATM 1015 H77 ALA A 3 -15.341 -0.426 -3.600 1.00 0.26 H HETATM 1016 NH2 ALA A 3 -13.413 -2.373 -1.963 1.00 -0.28 N HETATM 1017 H78 ALA A 3 -12.429 -2.466 -1.672 1.00 0.26 H HETATM 1018 H79 ALA A 3 -14.100 -3.091 -1.692 1.00 0.26 H HETATM 1019 H75 ALA A 3 -11.918 -0.525 -2.714 1.00 0.26 H HETATM 1020 H73 ALA A 3 -12.488 0.935 -4.571 1.00 0.07 H HETATM 1021 H74 ALA A 3 -14.225 0.547 -4.327 1.00 0.07 H HETATM 1022 H71 ALA A 3 -12.423 2.374 -2.675 1.00 0.03 H HETATM 1023 H72 ALA A 3 -13.989 2.755 -3.469 1.00 0.03 H HETATM 1024 H69 ALA A 3 -14.991 0.928 -1.882 1.00 0.03 H HETATM 1025 H70 ALA A 3 -13.469 1.117 -0.948 1.00 0.03 H HETATM 1026 H68 ALA A 3 -14.011 3.703 -1.129 1.00 0.08 H HETATM 1027 H67 ALA A 3 -15.574 1.975 0.756 1.00 0.19 H HETATM 1028 CB ALA A 3 -15.916 3.376 3.170 1.00 -0.02 C HETATM 1029 H64 ALA A 3 -16.609 2.845 2.501 1.00 0.03 H HETATM 1030 H65 ALA A 3 -16.048 4.461 3.048 1.00 0.03 H HETATM 1031 H66 ALA A 3 -16.126 3.096 4.213 1.00 0.03 H HETATM 1032 H63 ALA A 3 -14.351 1.912 2.965 1.00 0.08 H HETATM 1033 H62 ALA A 3 -12.901 3.160 4.260 1.00 0.19 H HETATM 1034 CB ALA A 3 -12.127 7.047 4.279 1.00 0.09 C HETATM 1035 OG1 ALA A 3 -10.840 7.404 4.767 1.00 -0.39 O HETATM 1036 H58 ALA A 3 -10.842 7.372 5.716 1.00 0.21 H HETATM 1037 CG2 ALA A 3 -13.168 8.038 4.808 1.00 -0.03 C HETATM 1038 H59 ALA A 3 -12.909 9.054 4.476 1.00 0.03 H HETATM 1039 H60 ALA A 3 -13.182 8.004 5.907 1.00 0.03 H HETATM 1040 H61 ALA A 3 -14.161 7.768 4.420 1.00 0.03 H HETATM 1041 H57 ALA A 3 -12.120 7.081 3.180 1.00 0.06 H HETATM 1042 H56 ALA A 3 -12.913 5.673 5.749 1.00 0.08 H HETATM 1043 H55 ALA A 3 -11.108 4.168 4.007 1.00 0.19 H HETATM 1044 CB ALA A 3 -9.699 2.427 5.853 1.00 0.00 C HETATM 1045 CG ALA A 3 -10.490 2.299 7.161 1.00 0.04 C HETATM 1046 CD ALA A 3 -11.988 2.368 6.875 1.00 0.17 C HETATM 1047 OE1 ALA A 3 -12.571 1.403 6.382 1.00 -0.40 O HETATM 1048 NE2 ALA A 3 -12.647 3.458 7.155 1.00 -0.30 N HETATM 1049 H53 ALA A 3 -13.628 3.510 6.970 1.00 0.18 H HETATM 1050 H54 ALA A 3 -12.171 4.242 7.554 1.00 0.18 H HETATM 1051 H51 ALA A 3 -10.210 3.120 7.838 1.00 0.05 H HETATM 1052 H52 ALA A 3 -10.254 1.335 7.636 1.00 0.05 H HETATM 1053 H49 ALA A 3 -8.822 1.764 5.892 1.00 0.03 H HETATM 1054 H50 ALA A 3 -10.341 2.136 5.009 1.00 0.03 H HETATM 1055 H48 ALA A 3 -8.823 3.980 4.645 1.00 0.08 H HETATM 1056 H47 ALA A 3 -8.365 4.193 7.592 1.00 0.19 H HETATM 1057 H29 ALA A 3 -6.345 4.721 8.231 1.00 0.08 H HETATM 1058 H28 ALA A 3 -4.690 3.211 6.271 1.00 0.19 H HETATM 1059 CB ALA A 3 -4.534 0.523 7.684 1.00 0.09 C HETATM 1060 OG1 ALA A 3 -5.403 0.365 8.797 1.00 -0.39 O HETATM 1061 H24 ALA A 3 -5.927 1.150 8.902 1.00 0.21 H HETATM 1062 CG2 ALA A 3 -3.704 -0.750 7.500 1.00 -0.03 C HETATM 1063 H25 ALA A 3 -4.376 -1.603 7.325 1.00 0.03 H HETATM 1064 H26 ALA A 3 -3.107 -0.932 8.406 1.00 0.03 H HETATM 1065 H27 ALA A 3 -3.033 -0.629 6.637 1.00 0.03 H HETATM 1066 H23 ALA A 3 -5.130 0.700 6.777 1.00 0.06 H HETATM 1067 H22 ALA A 3 -3.054 1.941 7.008 1.00 0.08 H HETATM 1068 H21 ALA A 3 -2.968 1.273 9.918 1.00 0.19 H HETATM 1069 CB ALA A 3 0.630 2.054 10.032 1.00 -0.01 C HETATM 1070 CG ALA A 3 2.017 1.453 10.316 1.00 -0.02 C HETATM 1071 CD ALA A 3 2.781 1.272 8.998 1.00 0.06 C HETATM 1072 NE ALA A 3 4.154 0.838 9.256 1.00 -0.27 N HETATM 1073 CZ ALA A 3 5.182 1.687 9.199 1.00 0.29 C HETATM 1074 NH1 ALA A 3 4.985 2.952 8.941 1.00 -0.28 N HETATM 1075 H17 ALA A 3 5.785 3.600 8.899 1.00 0.26 H HETATM 1076 H18 ALA A 3 4.030 3.302 8.779 1.00 0.26 H HETATM 1077 NH2 ALA A 3 6.393 1.250 9.409 1.00 -0.28 N HETATM 1078 H19 ALA A 3 6.553 0.253 9.613 1.00 0.26 H HETATM 1079 H20 ALA A 3 7.190 1.902 9.371 1.00 0.26 H HETATM 1080 H16 ALA A 3 4.332 -0.150 9.488 1.00 0.26 H HETATM 1081 H14 ALA A 3 2.800 2.229 8.456 1.00 0.07 H HETATM 1082 H15 ALA A 3 2.271 0.514 8.385 1.00 0.07 H HETATM 1083 H12 ALA A 3 1.899 0.476 10.807 1.00 0.03 H HETATM 1084 H13 ALA A 3 2.581 2.129 10.976 1.00 0.03 H HETATM 1085 H10 ALA A 3 0.330 2.685 10.881 1.00 0.03 H HETATM 1086 H11 ALA A 3 0.682 2.667 9.120 1.00 0.03 H HETATM 1087 H9 ALA A 3 -0.997 0.829 10.761 1.00 0.08 H HETATM 1088 H8 ALA A 3 1.221 -0.374 9.421 1.00 0.19 H HETATM 1089 CB ALA A 3 0.268 -2.917 7.462 1.00 -0.00 C HETATM 1090 H5 ALA A 3 0.733 -2.050 6.969 1.00 0.03 H HETATM 1091 H6 ALA A 3 -0.770 -3.022 7.115 1.00 0.03 H HETATM 1092 H7 ALA A 3 0.832 -3.827 7.212 1.00 0.03 H HETATM 1093 H4 ALA A 3 1.320 -2.608 9.326 1.00 0.11 H HETATM 1094 H1 ALA A 3 0.164 -4.720 9.408 1.00 0.20 H HETATM 1095 H2 ALA A 3 -1.303 -3.978 9.329 1.00 0.20 H HETATM 1096 H3 ALA A 3 -0.337 -3.755 10.643 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 92 91 122 489 927 CONECT 122 92 121 489 927 CONECT 282 342 700 755 926 CONECT 282 281 CONECT 342 282 700 755 926 CONECT 342 341 CONECT 489 92 122 488 927 CONECT 700 282 342 755 926 CONECT 700 699 CONECT 755 282 342 700 926 CONECT 755 754 CONECT 926 282 342 700 755 CONECT 927 92 122 489 CONECT 928 929 1094 1095 1096 CONECT 929 928 930 1089 1093 CONECT 930 929 931 932 CONECT 931 930 CONECT 932 930 933 1088 CONECT 933 932 934 1069 1087 CONECT 934 933 935 936 CONECT 935 934 CONECT 936 934 937 1068 CONECT 937 936 938 1059 1067 CONECT 938 937 939 940 CONECT 939 938 CONECT 940 938 941 1058 CONECT 941 940 942 967 1057 CONECT 942 941 943 965 966 CONECT 943 942 944 963 964 CONECT 944 943 945 961 962 CONECT 945 944 946 959 960 CONECT 946 945 947 951 955 CONECT 947 946 948 949 950 CONECT 948 947 CONECT 949 947 CONECT 950 947 CONECT 951 946 952 953 954 CONECT 952 951 CONECT 953 951 CONECT 954 951 CONECT 955 946 956 957 958 CONECT 956 955 CONECT 957 955 CONECT 958 955 CONECT 959 945 CONECT 960 945 CONECT 961 944 CONECT 962 944 CONECT 963 943 CONECT 964 943 CONECT 965 942 CONECT 966 942 CONECT 967 941 968 969 CONECT 968 967 CONECT 969 967 970 1056 CONECT 970 969 971 1044 1055 CONECT 971 970 972 973 CONECT 972 971 CONECT 973 971 974 1043 CONECT 974 973 975 1034 1042 CONECT 975 974 976 977 CONECT 976 975 CONECT 977 975 978 1033 CONECT 978 977 979 1028 1032 CONECT 979 978 980 981 CONECT 980 979 CONECT 981 979 982 1027 CONECT 982 981 983 1008 1026 CONECT 983 982 984 985 CONECT 984 983 CONECT 985 983 986 1007 CONECT 986 985 987 990 1006 CONECT 987 986 988 989 CONECT 988 987 CONECT 989 987 CONECT 990 986 991 1004 1005 CONECT 991 990 992 1002 1003 CONECT 992 991 993 1000 1001 CONECT 993 992 994 998 999 CONECT 994 993 995 996 997 CONECT 995 994 CONECT 996 994 CONECT 997 994 CONECT 998 993 CONECT 999 993 CONECT 1000 992 CONECT 1001 992 CONECT 1002 991 CONECT 1003 991 CONECT 1004 990 CONECT 1005 990 CONECT 1006 986 CONECT 1007 985 CONECT 1008 982 1009 1024 1025 CONECT 1009 1008 1010 1022 1023 CONECT 1010 1009 1011 1020 1021 CONECT 1011 1010 1012 1019 CONECT 1012 1011 1013 1016 CONECT 1013 1012 1014 1015 CONECT 1014 1013 CONECT 1015 1013 CONECT 1016 1012 1017 1018 CONECT 1017 1016 CONECT 1018 1016 CONECT 1019 1011 CONECT 1020 1010 CONECT 1021 1010 CONECT 1022 1009 CONECT 1023 1009 CONECT 1024 1008 CONECT 1025 1008 CONECT 1026 982 CONECT 1027 981 CONECT 1028 978 1029 1030 1031 CONECT 1029 1028 CONECT 1030 1028 CONECT 1031 1028 CONECT 1032 978 CONECT 1033 977 CONECT 1034 974 1035 1037 1041 CONECT 1035 1034 1036 CONECT 1036 1035 CONECT 1037 1034 1038 1039 1040 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1037 CONECT 1041 1034 CONECT 1042 974 CONECT 1043 973 CONECT 1044 970 1045 1053 1054 CONECT 1045 1044 1046 1051 1052 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1050 CONECT 1049 1048 CONECT 1050 1048 CONECT 1051 1045 CONECT 1052 1045 CONECT 1053 1044 CONECT 1054 1044 CONECT 1055 970 CONECT 1056 969 CONECT 1057 941 CONECT 1058 940 CONECT 1059 937 1060 1062 1066 CONECT 1060 1059 1061 CONECT 1061 1060 CONECT 1062 1059 1063 1064 1065 CONECT 1063 1062 CONECT 1064 1062 CONECT 1065 1062 CONECT 1066 1059 CONECT 1067 937 CONECT 1068 936 CONECT 1069 933 1070 1085 1086 CONECT 1070 1069 1071 1083 1084 CONECT 1071 1070 1072 1081 1082 CONECT 1072 1071 1073 1080 CONECT 1073 1072 1074 1077 CONECT 1074 1073 1075 1076 CONECT 1075 1074 CONECT 1076 1074 CONECT 1077 1073 1078 1079 CONECT 1078 1077 CONECT 1079 1077 CONECT 1080 1072 CONECT 1081 1071 CONECT 1082 1071 CONECT 1083 1070 CONECT 1084 1070 CONECT 1085 1069 CONECT 1086 1069 CONECT 1087 933 CONECT 1088 932 CONECT 1089 929 1090 1091 1092 CONECT 1090 1089 CONECT 1091 1089 CONECT 1092 1089 CONECT 1093 929 CONECT 1094 928 CONECT 1095 928 CONECT 1096 928 MASTER 0 0 0 0 0 0 0 0 1095 1 186 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2jmj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
2jmj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein YNG1
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=9.1uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
Molecular Cell. 2006, 24, 785-796.
Ligand Properties
Formula
C
4
6
H
9
3
N
1
8
O
1
3
Molecular Weight
1106.340
Exact Mass
1105.720
No. of atoms
170
No. of bonds
169
Polar Surface Area
540.95
LOGP Value
-4.20 (
Computed with XLOGP3
)
-6.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C46H88N18O13/c1-24(48)36(68)57-30(17-13-22-55-46(52)53)40(72)63-35(27(4)66)43(75)60-28(14-9-11-23-64(5,6)7)38(70)59-31(18-19-33(49)67)41(73)62-34(26(3)65)42(74)56-25(2)37(69)58-29(16-12-21-54-45(50)51)39(71)61-32(44(76)77)15-8-10-20-47/h24-32,34-35,65-66H,8-23,47-48H2,1-7H3,(H18-,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,67,68,69,70,71,72,73,74,75,76,77)/p+5/t24-,25-,26+,27+,28-,29-,30-,31-,32-,34-,35-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q08465
P61830
Entrez Gene ID
NCBI Entrez Gene ID:
854230
852295
855700
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com