Browse entries in the PDBbind-CN Database
HEADER 1JQ9_COMPLEX COMPND 1JQ9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU LEU GLU PHE GLY LYS MET ILE LEU GLU GLU THR SEQRES 2 A 121 GLY LYS LEU ALA ILE PRO SER TYR SER SER TYR GLY CYS SEQRES 3 A 121 TYR CYS GLY TRP GLY GLY LYS GLY THR PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS PHE VAL HIS ASP CYS CYS TYR GLY SEQRES 5 A 121 ASN LEU PRO ASP CYS ASN PRO LYS SER ASP ARG TYR LYS SEQRES 6 A 121 TYR LYS ARG VAL ASN GLY ALA ILE VAL CYS GLU LYS GLY SEQRES 7 A 121 THR SER CYS GLU ASN ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 ALA ALA ILE CYS PHE ARG GLN ASN LEU ASN THR TYR SER SEQRES 9 A 121 LYS LYS TYR MET LEU TYR PRO ASP PHE LEU CYS LYS GLY SEQRES 10 A 121 GLU LEU LYS CYS HET PHE A 250 96 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 ATOM 1 N SER A 1 16.874 12.611 42.019 1.00 27.41 N ATOM 2 CA SER A 1 17.171 13.784 41.150 1.00 28.24 C ATOM 3 C SER A 1 16.003 14.758 41.163 1.00 27.03 C ATOM 4 O SER A 1 14.981 14.507 41.803 1.00 26.61 O ATOM 5 CB SER A 1 17.419 13.331 39.712 1.00 30.11 C ATOM 6 OG SER A 1 16.217 12.869 39.121 1.00 30.81 O ATOM 7 HA SER A 1 18.063 14.276 41.537 1.00 0.00 H ATOM 8 HB2 SER A 1 18.152 12.524 39.711 1.00 0.00 H ATOM 9 HB3 SER A 1 17.804 14.170 39.133 1.00 0.00 H ATOM 10 HG SER A 1 15.867 12.104 39.643 1.00 0.00 H ATOM 11 HN3 SER A 1 16.023 12.127 41.667 1.00 0.00 H ATOM 12 HN2 SER A 1 16.712 12.935 42.994 1.00 0.00 H ATOM 13 HN1 SER A 1 17.680 11.954 42.000 1.00 0.00 H ATOM 14 N LEU A 2 16.156 15.859 40.434 1.00 27.58 N ATOM 15 CA LEU A 2 15.121 16.878 40.352 1.00 27.92 C ATOM 16 C LEU A 2 13.830 16.275 39.802 1.00 26.92 C ATOM 17 O LEU A 2 12.740 16.773 40.067 1.00 26.63 O ATOM 18 CB LEU A 2 15.588 18.032 39.454 1.00 31.59 C ATOM 19 CG LEU A 2 16.717 19.046 39.225 1.00 34.83 C ATOM 20 CD1 LEU A 2 16.126 20.354 38.733 1.00 37.31 C ATOM 21 CD2 LEU A 2 17.496 19.286 40.510 1.00 36.70 C ATOM 22 HA LEU A 2 14.929 17.265 41.353 1.00 0.00 H ATOM 23 HB2 LEU A 2 15.564 17.543 38.480 1.00 0.00 H ATOM 24 HB3 LEU A 2 14.736 18.706 39.543 1.00 0.00 H ATOM 25 HG LEU A 2 17.402 18.645 38.478 1.00 0.00 H ATOM 26 HD21 LEU A 2 16.823 19.675 41.274 1.00 0.00 H ATOM 27 HD22 LEU A 2 17.930 18.346 40.851 1.00 0.00 H ATOM 28 HD23 LEU A 2 18.291 20.008 40.322 1.00 0.00 H ATOM 29 HD11 LEU A 2 15.595 20.182 37.797 1.00 0.00 H ATOM 30 HD12 LEU A 2 15.433 20.742 39.480 1.00 0.00 H ATOM 31 HD13 LEU A 2 16.927 21.075 38.570 1.00 0.00 H ATOM 32 H LEU A 2 17.042 15.996 39.907 1.00 0.00 H ATOM 33 N LEU A 3 13.958 15.199 39.033 1.00 27.30 N ATOM 34 CA LEU A 3 12.791 14.532 38.466 1.00 29.22 C ATOM 35 C LEU A 3 11.902 13.970 39.580 1.00 28.65 C ATOM 36 O LEU A 3 10.709 14.268 39.643 1.00 26.77 O ATOM 37 CB LEU A 3 13.244 13.412 37.522 1.00 32.75 C ATOM 38 CG LEU A 3 12.187 12.579 36.788 1.00 35.00 C ATOM 39 CD1 LEU A 3 12.846 11.877 35.618 1.00 39.42 C ATOM 40 CD2 LEU A 3 11.547 11.569 37.727 1.00 38.34 C ATOM 41 HA LEU A 3 12.207 15.257 37.899 1.00 0.00 H ATOM 42 HB2 LEU A 3 13.873 13.872 36.760 1.00 0.00 H ATOM 43 HB3 LEU A 3 13.842 12.719 38.114 1.00 0.00 H ATOM 44 HG LEU A 3 11.397 13.235 36.424 1.00 0.00 H ATOM 45 HD21 LEU A 3 12.314 10.900 38.116 1.00 0.00 H ATOM 46 HD22 LEU A 3 11.069 12.095 38.553 1.00 0.00 H ATOM 47 HD23 LEU A 3 10.801 10.991 37.182 1.00 0.00 H ATOM 48 HD11 LEU A 3 13.268 12.620 34.941 1.00 0.00 H ATOM 49 HD12 LEU A 3 13.640 11.227 35.986 1.00 0.00 H ATOM 50 HD13 LEU A 3 12.103 11.281 35.088 1.00 0.00 H ATOM 51 H LEU A 3 14.907 14.825 38.832 1.00 0.00 H ATOM 52 N GLU A 4 12.487 13.160 40.459 1.00 26.31 N ATOM 53 CA GLU A 4 11.746 12.567 41.569 1.00 26.13 C ATOM 54 C GLU A 4 11.246 13.617 42.567 1.00 25.43 C ATOM 55 O GLU A 4 10.091 13.581 42.991 1.00 25.99 O ATOM 56 CB GLU A 4 12.619 11.557 42.321 1.00 28.70 C ATOM 57 CG GLU A 4 12.943 10.264 41.577 1.00 30.97 C ATOM 58 CD GLU A 4 14.062 10.417 40.561 1.00 33.05 C ATOM 59 OE1 GLU A 4 14.782 11.435 40.599 1.00 30.04 O ATOM 60 OE2 GLU A 4 14.228 9.504 39.728 1.00 35.60 O ATOM 61 HA GLU A 4 10.882 12.070 41.129 1.00 0.00 H ATOM 62 HB2 GLU A 4 13.562 12.047 42.564 1.00 0.00 H ATOM 63 HB3 GLU A 4 12.102 11.291 43.243 1.00 0.00 H ATOM 64 HG2 GLU A 4 13.239 9.510 42.306 1.00 0.00 H ATOM 65 HG3 GLU A 4 12.046 9.931 41.056 1.00 0.00 H ATOM 66 H GLU A 4 13.499 12.944 40.353 1.00 0.00 H ATOM 67 N PHE A 5 12.125 14.541 42.946 1.00 23.79 N ATOM 68 CA PHE A 5 11.775 15.594 43.900 1.00 22.64 C ATOM 69 C PHE A 5 10.638 16.452 43.355 1.00 23.02 C ATOM 70 O PHE A 5 9.701 16.806 44.083 1.00 22.56 O ATOM 71 CB PHE A 5 13.012 16.456 44.201 1.00 22.68 C ATOM 72 CG PHE A 5 12.808 17.480 45.293 1.00 23.13 C ATOM 73 CD1 PHE A 5 11.905 17.259 46.328 1.00 24.15 C ATOM 74 CD2 PHE A 5 13.561 18.650 45.308 1.00 25.15 C ATOM 75 CE1 PHE A 5 11.757 18.190 47.362 1.00 23.98 C ATOM 76 CE2 PHE A 5 13.421 19.589 46.335 1.00 24.31 C ATOM 77 CZ PHE A 5 12.518 19.357 47.364 1.00 25.09 C ATOM 78 HA PHE A 5 11.435 15.134 44.828 1.00 0.00 H ATOM 79 HB2 PHE A 5 13.824 15.794 44.501 1.00 0.00 H ATOM 80 HB3 PHE A 5 13.292 16.982 43.288 1.00 0.00 H ATOM 81 HD2 PHE A 5 14.273 18.838 44.505 1.00 0.00 H ATOM 82 HE2 PHE A 5 14.019 20.500 46.328 1.00 0.00 H ATOM 83 HZ PHE A 5 12.405 20.084 48.169 1.00 0.00 H ATOM 84 HE1 PHE A 5 11.046 18.002 48.166 1.00 0.00 H ATOM 85 HD1 PHE A 5 11.305 16.349 46.333 1.00 0.00 H ATOM 86 H PHE A 5 13.088 14.514 42.553 1.00 0.00 H ATOM 87 N GLY A 6 10.714 16.776 42.071 1.00 21.29 N ATOM 88 CA GLY A 6 9.673 17.579 41.462 1.00 24.19 C ATOM 89 C GLY A 6 8.329 16.881 41.493 1.00 24.56 C ATOM 90 O GLY A 6 7.293 17.515 41.702 1.00 23.30 O ATOM 91 HA3 GLY A 6 9.943 17.778 40.425 1.00 0.00 H ATOM 92 HA2 GLY A 6 9.593 18.522 42.003 1.00 0.00 H ATOM 93 H GLY A 6 11.522 16.453 41.501 1.00 0.00 H ATOM 94 N LYS A 7 8.342 15.569 41.286 1.00 25.63 N ATOM 95 CA LYS A 7 7.113 14.787 41.293 1.00 26.17 C ATOM 96 C LYS A 7 6.454 14.837 42.670 1.00 25.15 C ATOM 97 O LYS A 7 5.247 15.049 42.774 1.00 23.75 O ATOM 98 CB LYS A 7 7.409 13.337 40.891 1.00 29.21 C ATOM 99 CG LYS A 7 6.171 12.481 40.703 1.00 33.99 C ATOM 100 CD LYS A 7 6.545 11.077 40.256 1.00 38.82 C ATOM 101 CE LYS A 7 5.307 10.227 40.015 1.00 41.87 C ATOM 102 NZ LYS A 7 5.659 8.856 39.560 1.00 44.99 N ATOM 103 HA LYS A 7 6.422 15.217 40.568 1.00 0.00 H ATOM 104 HB2 LYS A 7 7.963 13.348 39.953 1.00 0.00 H ATOM 105 HB3 LYS A 7 8.023 12.884 41.669 1.00 0.00 H ATOM 106 HG2 LYS A 7 5.630 12.423 41.648 1.00 0.00 H ATOM 107 HG3 LYS A 7 5.532 12.938 39.947 1.00 0.00 H ATOM 108 HD2 LYS A 7 7.119 11.139 39.332 1.00 0.00 H ATOM 109 HD3 LYS A 7 7.153 10.608 41.029 1.00 0.00 H ATOM 110 HE2 LYS A 7 4.693 10.706 39.252 1.00 0.00 H ATOM 111 HE3 LYS A 7 4.741 10.156 40.944 1.00 0.00 H ATOM 112 HZ1 LYS A 7 6.194 8.914 38.670 1.00 0.00 H ATOM 113 HZ2 LYS A 7 6.240 8.390 40.286 1.00 0.00 H ATOM 114 HZ3 LYS A 7 4.788 8.309 39.407 1.00 0.00 H ATOM 115 H LYS A 7 9.249 15.090 41.115 1.00 0.00 H ATOM 116 N MET A 8 7.246 14.651 43.724 1.00 26.39 N ATOM 117 CA MET A 8 6.725 14.704 45.089 1.00 24.30 C ATOM 118 C MET A 8 6.115 16.063 45.406 1.00 24.37 C ATOM 119 O MET A 8 5.057 16.152 46.035 1.00 22.20 O ATOM 120 CB MET A 8 7.834 14.452 46.111 1.00 26.29 C ATOM 121 CG MET A 8 8.364 13.038 46.191 1.00 25.80 C ATOM 122 SD MET A 8 9.606 13.009 47.489 1.00 26.41 S ATOM 123 CE MET A 8 10.362 11.410 47.228 1.00 25.15 C ATOM 124 HA MET A 8 5.961 13.929 45.153 1.00 0.00 H ATOM 125 HB2 MET A 8 8.670 15.106 45.863 1.00 0.00 H ATOM 126 HB3 MET A 8 7.446 14.717 47.094 1.00 0.00 H ATOM 127 HG2 MET A 8 8.811 12.752 45.239 1.00 0.00 H ATOM 128 HG3 MET A 8 7.555 12.349 46.432 1.00 0.00 H ATOM 129 HE1 MET A 8 9.608 10.631 47.336 1.00 0.00 H ATOM 130 HE2 MET A 8 10.786 11.370 46.225 1.00 0.00 H ATOM 131 HE3 MET A 8 11.151 11.258 47.964 1.00 0.00 H ATOM 132 H MET A 8 8.258 14.464 43.573 1.00 0.00 H ATOM 133 N ILE A 9 6.802 17.123 44.993 1.00 22.62 N ATOM 134 CA ILE A 9 6.328 18.475 45.264 1.00 23.36 C ATOM 135 C ILE A 9 4.960 18.720 44.647 1.00 23.91 C ATOM 136 O ILE A 9 4.092 19.336 45.265 1.00 24.13 O ATOM 137 CB ILE A 9 7.320 19.540 44.738 1.00 23.00 C ATOM 138 CG1 ILE A 9 8.647 19.435 45.501 1.00 23.18 C ATOM 139 CG2 ILE A 9 6.729 20.934 44.910 1.00 20.09 C ATOM 140 CD1 ILE A 9 9.632 20.538 45.182 1.00 24.98 C ATOM 141 HA ILE A 9 6.251 18.566 46.347 1.00 0.00 H ATOM 142 HB ILE A 9 7.503 19.364 43.678 1.00 0.00 H ATOM 143 HG12 ILE A 9 8.431 19.466 46.569 1.00 0.00 H ATOM 144 HG13 ILE A 9 9.110 18.480 45.253 1.00 0.00 H ATOM 145 HD11 ILE A 9 9.870 20.514 44.119 1.00 0.00 H ATOM 146 HD12 ILE A 9 9.191 21.502 45.436 1.00 0.00 H ATOM 147 HD13 ILE A 9 10.542 20.390 45.763 1.00 0.00 H ATOM 148 HG21 ILE A 9 5.797 21.004 44.349 1.00 0.00 H ATOM 149 HG22 ILE A 9 6.533 21.116 45.967 1.00 0.00 H ATOM 150 HG23 ILE A 9 7.435 21.675 44.537 1.00 0.00 H ATOM 151 H ILE A 9 7.690 16.986 44.469 1.00 0.00 H ATOM 152 N LEU A 10 4.768 18.247 43.423 1.00 25.02 N ATOM 153 CA LEU A 10 3.487 18.429 42.757 1.00 25.38 C ATOM 154 C LEU A 10 2.405 17.629 43.476 1.00 27.04 C ATOM 155 O LEU A 10 1.317 18.140 43.738 1.00 26.24 O ATOM 156 CB LEU A 10 3.586 17.990 41.291 1.00 24.68 C ATOM 157 CG LEU A 10 2.323 18.110 40.433 1.00 25.89 C ATOM 158 CD1 LEU A 10 1.770 19.526 40.510 1.00 28.68 C ATOM 159 CD2 LEU A 10 2.665 17.752 39.000 1.00 25.90 C ATOM 160 HA LEU A 10 3.221 19.486 42.788 1.00 0.00 H ATOM 161 HB2 LEU A 10 4.361 18.595 40.820 1.00 0.00 H ATOM 162 HB3 LEU A 10 3.889 16.943 41.283 1.00 0.00 H ATOM 163 HG LEU A 10 1.560 17.426 40.804 1.00 0.00 H ATOM 164 HD21 LEU A 10 3.429 18.435 38.629 1.00 0.00 H ATOM 165 HD22 LEU A 10 3.041 16.729 38.962 1.00 0.00 H ATOM 166 HD23 LEU A 10 1.771 17.835 38.383 1.00 0.00 H ATOM 167 HD11 LEU A 10 1.524 19.763 41.545 1.00 0.00 H ATOM 168 HD12 LEU A 10 2.519 20.228 40.144 1.00 0.00 H ATOM 169 HD13 LEU A 10 0.872 19.598 39.896 1.00 0.00 H ATOM 170 H LEU A 10 5.537 17.743 42.937 1.00 0.00 H ATOM 171 N GLU A 11 2.711 16.378 43.804 1.00 27.27 N ATOM 172 CA GLU A 11 1.749 15.517 44.484 1.00 28.90 C ATOM 173 C GLU A 11 1.332 16.079 45.838 1.00 29.28 C ATOM 174 O GLU A 11 0.162 16.005 46.217 1.00 29.86 O ATOM 175 CB GLU A 11 2.329 14.110 44.684 1.00 29.73 C ATOM 176 CG GLU A 11 2.801 13.429 43.404 1.00 31.05 C ATOM 177 CD GLU A 11 3.284 12.002 43.631 1.00 33.03 C ATOM 178 OE1 GLU A 11 4.096 11.777 44.554 1.00 31.74 O ATOM 179 OE2 GLU A 11 2.856 11.103 42.873 1.00 34.70 O ATOM 180 HA GLU A 11 0.867 15.468 43.846 1.00 0.00 H ATOM 181 HB2 GLU A 11 3.179 14.186 45.362 1.00 0.00 H ATOM 182 HB3 GLU A 11 1.559 13.486 45.137 1.00 0.00 H ATOM 183 HG2 GLU A 11 1.972 13.407 42.696 1.00 0.00 H ATOM 184 HG3 GLU A 11 3.621 14.011 42.983 1.00 0.00 H ATOM 185 H GLU A 11 3.654 16.006 43.572 1.00 0.00 H ATOM 186 N GLU A 12 2.294 16.648 46.559 1.00 26.91 N ATOM 187 CA GLU A 12 2.047 17.204 47.887 1.00 25.83 C ATOM 188 C GLU A 12 1.496 18.629 47.931 1.00 27.84 C ATOM 189 O GLU A 12 0.719 18.965 48.831 1.00 27.82 O ATOM 190 CB GLU A 12 3.340 17.175 48.704 1.00 27.53 C ATOM 191 CG GLU A 12 3.894 15.793 48.984 1.00 27.43 C ATOM 192 CD GLU A 12 2.941 14.942 49.793 1.00 29.69 C ATOM 193 OE1 GLU A 12 2.359 15.471 50.765 1.00 27.70 O ATOM 194 OE2 GLU A 12 2.786 13.747 49.464 1.00 30.49 O ATOM 195 HA GLU A 12 1.265 16.567 48.301 1.00 0.00 H ATOM 196 HB2 GLU A 12 4.097 17.738 48.158 1.00 0.00 H ATOM 197 HB3 GLU A 12 3.146 17.661 49.660 1.00 0.00 H ATOM 198 HG2 GLU A 12 4.089 15.295 48.034 1.00 0.00 H ATOM 199 HG3 GLU A 12 4.828 15.895 49.537 1.00 0.00 H ATOM 200 H GLU A 12 3.255 16.699 46.164 1.00 0.00 H ATOM 201 N THR A 13 1.901 19.466 46.978 1.00 27.13 N ATOM 202 CA THR A 13 1.466 20.863 46.965 1.00 26.29 C ATOM 203 C THR A 13 0.507 21.246 45.841 1.00 27.78 C ATOM 204 O THR A 13 -0.144 22.290 45.912 1.00 27.21 O ATOM 205 CB THR A 13 2.682 21.807 46.874 1.00 24.96 C ATOM 206 OG1 THR A 13 3.226 21.758 45.549 1.00 24.54 O ATOM 207 CG2 THR A 13 3.762 21.375 47.854 1.00 23.92 C ATOM 208 HA THR A 13 0.921 20.972 47.902 1.00 0.00 H ATOM 209 HB THR A 13 2.355 22.818 47.114 1.00 0.00 H ATOM 210 HG1 THR A 13 3.510 20.832 45.344 1.00 0.00 H ATOM 211 HG23 THR A 13 3.364 21.407 48.868 1.00 0.00 H ATOM 212 HG21 THR A 13 4.079 20.359 47.618 1.00 0.00 H ATOM 213 HG22 THR A 13 4.614 22.051 47.775 1.00 0.00 H ATOM 214 H THR A 13 2.537 19.121 46.231 1.00 0.00 H ATOM 215 N GLY A 14 0.430 20.415 44.807 1.00 29.47 N ATOM 216 CA GLY A 14 -0.434 20.719 43.681 1.00 33.26 C ATOM 217 C GLY A 14 0.173 21.787 42.789 1.00 35.95 C ATOM 218 O GLY A 14 -0.463 22.265 41.847 1.00 34.57 O ATOM 219 HA3 GLY A 14 -1.394 21.073 44.056 1.00 0.00 H ATOM 220 HA2 GLY A 14 -0.586 19.812 43.096 1.00 0.00 H ATOM 221 H GLY A 14 0.993 19.540 44.804 1.00 0.00 H ATOM 222 N LYS A 16 1.416 22.157 43.086 1.00 32.38 N ATOM 223 CA LYS A 16 2.133 23.175 42.323 1.00 31.09 C ATOM 224 C LYS A 16 3.353 22.562 41.637 1.00 31.04 C ATOM 225 O LYS A 16 3.996 21.666 42.187 1.00 28.66 O ATOM 226 CB LYS A 16 2.589 24.298 43.264 1.00 32.23 C ATOM 227 CG LYS A 16 1.485 24.824 44.169 1.00 33.82 C ATOM 228 CD LYS A 16 2.043 25.582 45.370 1.00 37.63 C ATOM 229 CE LYS A 16 2.495 26.987 45.013 1.00 38.78 C ATOM 230 NZ LYS A 16 1.357 27.866 44.618 1.00 39.03 N ATOM 231 HA LYS A 16 1.464 23.580 41.564 1.00 0.00 H ATOM 232 HB2 LYS A 16 3.395 23.916 43.890 1.00 0.00 H ATOM 233 HB3 LYS A 16 2.961 25.125 42.659 1.00 0.00 H ATOM 234 HG2 LYS A 16 0.848 25.496 43.594 1.00 0.00 H ATOM 235 HG3 LYS A 16 0.893 23.982 44.528 1.00 0.00 H ATOM 236 HD2 LYS A 16 1.268 25.647 46.133 1.00 0.00 H ATOM 237 HD3 LYS A 16 2.896 25.030 45.766 1.00 0.00 H ATOM 238 HE2 LYS A 16 3.198 26.929 44.182 1.00 0.00 H ATOM 239 HE3 LYS A 16 2.993 27.425 45.878 1.00 0.00 H ATOM 240 HZ1 LYS A 16 0.879 27.461 43.788 1.00 0.00 H ATOM 241 HZ2 LYS A 16 0.684 27.935 45.408 1.00 0.00 H ATOM 242 HZ3 LYS A 16 1.717 28.813 44.384 1.00 0.00 H ATOM 243 H LYS A 16 1.895 21.705 43.891 1.00 0.00 H ATOM 244 N LEU A 17 3.661 23.034 40.431 1.00 28.17 N ATOM 245 CA LEU A 17 4.824 22.538 39.704 1.00 28.01 C ATOM 246 C LEU A 17 6.043 23.124 40.409 1.00 27.47 C ATOM 247 O LEU A 17 6.161 24.340 40.534 1.00 25.14 O ATOM 248 CB LEU A 17 4.779 23.002 38.245 1.00 29.49 C ATOM 249 CG LEU A 17 3.644 22.430 37.392 1.00 32.01 C ATOM 250 CD1 LEU A 17 3.665 23.064 36.002 1.00 33.33 C ATOM 251 CD2 LEU A 17 3.796 20.923 37.294 1.00 33.99 C ATOM 252 HA LEU A 17 4.853 21.448 39.695 1.00 0.00 H ATOM 253 HB2 LEU A 17 4.683 24.088 38.243 1.00 0.00 H ATOM 254 HB3 LEU A 17 5.722 22.721 37.777 1.00 0.00 H ATOM 255 HG LEU A 17 2.686 22.659 37.859 1.00 0.00 H ATOM 256 HD21 LEU A 17 4.754 20.685 36.832 1.00 0.00 H ATOM 257 HD22 LEU A 17 3.755 20.489 38.293 1.00 0.00 H ATOM 258 HD23 LEU A 17 2.988 20.516 36.686 1.00 0.00 H ATOM 259 HD11 LEU A 17 3.537 24.143 36.094 1.00 0.00 H ATOM 260 HD12 LEU A 17 4.619 22.850 35.521 1.00 0.00 H ATOM 261 HD13 LEU A 17 2.854 22.650 35.403 1.00 0.00 H ATOM 262 H LEU A 17 3.063 23.768 40.000 1.00 0.00 H ATOM 263 N ALA A 18 6.939 22.261 40.883 1.00 25.67 N ATOM 264 CA ALA A 18 8.121 22.727 41.602 1.00 25.34 C ATOM 265 C ALA A 18 8.865 23.787 40.811 1.00 25.61 C ATOM 266 O ALA A 18 9.424 24.721 41.378 1.00 24.22 O ATOM 267 CB ALA A 18 9.034 21.562 41.929 1.00 25.09 C ATOM 268 HA ALA A 18 7.790 23.182 42.535 1.00 0.00 H ATOM 269 HB1 ALA A 18 8.498 20.846 42.552 1.00 0.00 H ATOM 270 HB2 ALA A 18 9.348 21.078 41.004 1.00 0.00 H ATOM 271 HB3 ALA A 18 9.910 21.928 42.465 1.00 0.00 H ATOM 272 H ALA A 18 6.795 21.241 40.739 1.00 0.00 H ATOM 273 N ILE A 19 8.880 23.624 39.493 1.00 25.35 N ATOM 274 CA ILE A 19 9.506 24.593 38.602 1.00 26.17 C ATOM 275 C ILE A 19 8.306 25.084 37.805 1.00 28.39 C ATOM 276 O ILE A 19 7.626 24.289 37.154 1.00 29.81 O ATOM 277 CB ILE A 19 10.530 23.924 37.651 1.00 27.24 C ATOM 278 CG1 ILE A 19 11.684 23.324 38.463 1.00 28.80 C ATOM 279 CG2 ILE A 19 11.073 24.948 36.662 1.00 27.81 C ATOM 280 CD1 ILE A 19 12.705 22.571 37.642 1.00 30.68 C ATOM 281 HA ILE A 19 10.063 25.368 39.129 1.00 0.00 H ATOM 282 HB ILE A 19 10.030 23.128 37.099 1.00 0.00 H ATOM 283 HG12 ILE A 19 12.195 24.136 38.980 1.00 0.00 H ATOM 284 HG13 ILE A 19 11.263 22.636 39.196 1.00 0.00 H ATOM 285 HD11 ILE A 19 12.217 21.744 37.127 1.00 0.00 H ATOM 286 HD12 ILE A 19 13.149 23.245 36.910 1.00 0.00 H ATOM 287 HD13 ILE A 19 13.483 22.182 38.299 1.00 0.00 H ATOM 288 HG21 ILE A 19 10.250 25.355 36.074 1.00 0.00 H ATOM 289 HG22 ILE A 19 11.564 25.754 37.208 1.00 0.00 H ATOM 290 HG23 ILE A 19 11.791 24.466 35.999 1.00 0.00 H ATOM 291 H ILE A 19 8.432 22.779 39.084 1.00 0.00 H ATOM 292 N PRO A 20 8.042 26.398 37.817 1.00 27.27 N ATOM 293 CA PRO A 20 8.736 27.508 38.478 1.00 27.42 C ATOM 294 C PRO A 20 8.295 27.937 39.886 1.00 26.70 C ATOM 295 O PRO A 20 8.824 28.907 40.422 1.00 23.87 O ATOM 296 CB PRO A 20 8.548 28.638 37.478 1.00 27.90 C ATOM 297 CG PRO A 20 7.122 28.426 37.070 1.00 29.05 C ATOM 298 CD PRO A 20 7.007 26.913 36.899 1.00 30.58 C ATOM 299 HA PRO A 20 9.758 27.201 38.700 1.00 0.00 H ATOM 300 HD3 PRO A 20 6.017 26.560 37.186 1.00 0.00 H ATOM 301 HD2 PRO A 20 7.213 26.617 35.870 1.00 0.00 H ATOM 302 HG3 PRO A 20 6.906 28.940 36.133 1.00 0.00 H ATOM 303 HG2 PRO A 20 6.441 28.782 37.843 1.00 0.00 H ATOM 304 HB2 PRO A 20 8.690 29.613 37.944 1.00 0.00 H ATOM 305 HB3 PRO A 20 9.226 28.539 36.630 1.00 0.00 H ATOM 306 N SER A 21 7.347 27.229 40.491 1.00 27.09 N ATOM 307 CA SER A 21 6.857 27.612 41.818 1.00 27.00 C ATOM 308 C SER A 21 7.872 27.684 42.961 1.00 26.84 C ATOM 309 O SER A 21 7.829 28.618 43.769 1.00 26.14 O ATOM 310 CB SER A 21 5.710 26.688 42.244 1.00 27.38 C ATOM 311 OG SER A 21 4.577 26.869 41.418 1.00 29.85 O ATOM 312 HA SER A 21 6.542 28.644 41.667 1.00 0.00 H ATOM 313 HB2 SER A 21 5.438 26.910 43.276 1.00 0.00 H ATOM 314 HB3 SER A 21 6.042 25.652 42.172 1.00 0.00 H ATOM 315 HG SER A 21 4.269 27.808 41.483 1.00 0.00 H ATOM 316 H SER A 21 6.948 26.393 40.017 1.00 0.00 H ATOM 317 N TYR A 22 8.780 26.716 43.036 1.00 23.10 N ATOM 318 CA TYR A 22 9.761 26.684 44.125 1.00 25.63 C ATOM 319 C TYR A 22 11.224 26.792 43.703 1.00 27.32 C ATOM 320 O TYR A 22 12.119 26.720 44.544 1.00 31.64 O ATOM 321 CB TYR A 22 9.586 25.392 44.919 1.00 23.37 C ATOM 322 CG TYR A 22 8.308 25.326 45.708 1.00 23.96 C ATOM 323 CD1 TYR A 22 8.193 25.977 46.932 1.00 21.90 C ATOM 324 CD2 TYR A 22 7.213 24.605 45.237 1.00 23.08 C ATOM 325 CE1 TYR A 22 7.021 25.909 47.673 1.00 22.59 C ATOM 326 CE2 TYR A 22 6.038 24.530 45.970 1.00 23.63 C ATOM 327 CZ TYR A 22 5.950 25.183 47.187 1.00 23.39 C ATOM 328 OH TYR A 22 4.798 25.086 47.926 1.00 23.78 O ATOM 329 HA TYR A 22 9.554 27.576 44.716 1.00 0.00 H ATOM 330 HB3 TYR A 22 10.422 25.300 45.612 1.00 0.00 H ATOM 331 HB2 TYR A 22 9.601 24.556 44.220 1.00 0.00 H ATOM 332 HD2 TYR A 22 7.281 24.092 44.278 1.00 0.00 H ATOM 333 HE2 TYR A 22 5.190 23.961 45.590 1.00 0.00 H ATOM 334 HE1 TYR A 22 6.946 26.424 48.631 1.00 0.00 H ATOM 335 HD1 TYR A 22 9.037 26.550 47.316 1.00 0.00 H ATOM 336 HH TYR A 22 4.899 25.607 48.762 1.00 0.00 H ATOM 337 H TYR A 22 8.795 25.970 42.311 1.00 0.00 H ATOM 338 N SER A 23 11.468 26.975 42.411 1.00 25.36 N ATOM 339 CA SER A 23 12.832 27.049 41.901 1.00 24.75 C ATOM 340 C SER A 23 13.530 28.402 41.991 1.00 24.49 C ATOM 341 O SER A 23 14.712 28.508 41.664 1.00 26.10 O ATOM 342 CB SER A 23 12.851 26.558 40.454 1.00 23.06 C ATOM 343 OG SER A 23 11.842 27.209 39.705 1.00 24.15 O ATOM 344 HA SER A 23 13.410 26.410 42.569 1.00 0.00 H ATOM 345 HB2 SER A 23 12.676 25.482 40.436 1.00 0.00 H ATOM 346 HB3 SER A 23 13.824 26.774 40.013 1.00 0.00 H ATOM 347 HG SER A 23 12.001 28.186 39.719 1.00 0.00 H ATOM 348 H SER A 23 10.671 27.067 41.750 1.00 0.00 H ATOM 349 N SER A 24 12.815 29.433 42.430 1.00 25.04 N ATOM 350 CA SER A 24 13.415 30.759 42.552 1.00 25.66 C ATOM 351 C SER A 24 12.899 31.438 43.813 1.00 25.61 C ATOM 352 O SER A 24 12.933 32.666 43.929 1.00 25.38 O ATOM 353 CB SER A 24 13.045 31.617 41.342 1.00 24.69 C ATOM 354 OG SER A 24 11.677 31.980 41.400 1.00 26.26 O ATOM 355 HA SER A 24 14.498 30.650 42.603 1.00 0.00 H ATOM 356 HB2 SER A 24 13.229 31.051 40.429 1.00 0.00 H ATOM 357 HB3 SER A 24 13.657 32.519 41.339 1.00 0.00 H ATOM 358 HG SER A 24 11.119 31.162 41.401 1.00 0.00 H ATOM 359 H SER A 24 11.818 29.294 42.689 1.00 0.00 H ATOM 360 N TYR A 25 12.442 30.630 44.763 1.00 23.53 N ATOM 361 CA TYR A 25 11.861 31.134 46.006 1.00 22.58 C ATOM 362 C TYR A 25 12.848 31.489 47.115 1.00 22.02 C ATOM 363 O TYR A 25 13.666 30.672 47.523 1.00 22.47 O ATOM 364 CB TYR A 25 10.865 30.108 46.541 1.00 20.91 C ATOM 365 CG TYR A 25 9.910 30.650 47.575 1.00 22.28 C ATOM 366 CD1 TYR A 25 8.669 31.167 47.198 1.00 22.90 C ATOM 367 CD2 TYR A 25 10.228 30.616 48.933 1.00 21.54 C ATOM 368 CE1 TYR A 25 7.763 31.630 48.148 1.00 22.63 C ATOM 369 CE2 TYR A 25 9.326 31.080 49.897 1.00 22.57 C ATOM 370 CZ TYR A 25 8.095 31.581 49.495 1.00 24.25 C ATOM 371 OH TYR A 25 7.183 32.006 50.433 1.00 24.92 O ATOM 372 HA TYR A 25 11.389 32.078 45.733 1.00 0.00 H ATOM 373 HB3 TYR A 25 11.427 29.289 46.991 1.00 0.00 H ATOM 374 HB2 TYR A 25 10.281 29.729 45.702 1.00 0.00 H ATOM 375 HD2 TYR A 25 11.194 30.222 49.248 1.00 0.00 H ATOM 376 HE2 TYR A 25 9.588 31.048 50.955 1.00 0.00 H ATOM 377 HE1 TYR A 25 6.798 32.029 47.836 1.00 0.00 H ATOM 378 HD1 TYR A 25 8.405 31.209 46.141 1.00 0.00 H ATOM 379 HH TYR A 25 7.578 32.741 50.966 1.00 0.00 H ATOM 380 H TYR A 25 12.500 29.602 44.617 1.00 0.00 H ATOM 381 N GLY A 26 12.748 32.720 47.606 1.00 23.49 N ATOM 382 CA GLY A 26 13.619 33.165 48.678 1.00 22.39 C ATOM 383 C GLY A 26 15.109 32.982 48.451 1.00 22.17 C ATOM 384 O GLY A 26 15.607 33.052 47.321 1.00 20.43 O ATOM 385 HA3 GLY A 26 13.349 32.612 49.578 1.00 0.00 H ATOM 386 HA2 GLY A 26 13.435 34.227 48.837 1.00 0.00 H ATOM 387 H GLY A 26 12.037 33.372 47.217 1.00 0.00 H ATOM 388 N CYS A 27 15.822 32.736 49.545 1.00 22.11 N ATOM 389 CA CYS A 27 17.269 32.571 49.505 1.00 22.67 C ATOM 390 C CYS A 27 17.763 31.150 49.307 1.00 22.75 C ATOM 391 O CYS A 27 18.876 30.935 48.811 1.00 22.12 O ATOM 392 CB CYS A 27 17.886 33.103 50.796 1.00 24.37 C ATOM 393 SG CYS A 27 17.771 34.901 51.020 1.00 25.69 S ATOM 394 HA CYS A 27 17.581 33.133 48.625 1.00 0.00 H ATOM 395 HB2 CYS A 27 18.941 32.828 50.805 1.00 0.00 H ATOM 396 HB3 CYS A 27 17.380 32.625 51.635 1.00 0.00 H ATOM 397 H CYS A 27 15.332 32.659 50.459 1.00 0.00 H ATOM 398 N TYR A 28 16.945 30.175 49.681 1.00 21.45 N ATOM 399 CA TYR A 28 17.380 28.794 49.585 1.00 23.21 C ATOM 400 C TYR A 28 16.662 27.866 48.625 1.00 23.04 C ATOM 401 O TYR A 28 17.118 26.762 48.417 1.00 23.44 O ATOM 402 CB TYR A 28 17.378 28.175 50.978 1.00 23.68 C ATOM 403 CG TYR A 28 18.449 28.763 51.863 1.00 24.49 C ATOM 404 CD1 TYR A 28 19.763 28.293 51.806 1.00 26.15 C ATOM 405 CD2 TYR A 28 18.167 29.826 52.711 1.00 25.35 C ATOM 406 CE1 TYR A 28 20.770 28.875 52.575 1.00 28.09 C ATOM 407 CE2 TYR A 28 19.165 30.416 53.483 1.00 27.76 C ATOM 408 CZ TYR A 28 20.461 29.937 53.411 1.00 29.49 C ATOM 409 OH TYR A 28 21.449 30.522 54.174 1.00 29.94 O ATOM 410 HA TYR A 28 18.372 28.879 49.141 1.00 0.00 H ATOM 411 HB3 TYR A 28 17.548 27.102 50.886 1.00 0.00 H ATOM 412 HB2 TYR A 28 16.406 28.350 51.439 1.00 0.00 H ATOM 413 HD2 TYR A 28 17.147 30.205 52.774 1.00 0.00 H ATOM 414 HE2 TYR A 28 18.926 31.251 54.141 1.00 0.00 H ATOM 415 HE1 TYR A 28 21.791 28.498 52.519 1.00 0.00 H ATOM 416 HD1 TYR A 28 20.005 27.457 51.149 1.00 0.00 H ATOM 417 HH TYR A 28 22.310 30.063 54.005 1.00 0.00 H ATOM 418 H TYR A 28 15.996 30.399 50.042 1.00 0.00 H ATOM 419 N CYS A 29 15.547 28.291 48.052 1.00 23.31 N ATOM 420 CA CYS A 29 14.839 27.430 47.113 1.00 26.18 C ATOM 421 C CYS A 29 15.359 27.760 45.722 1.00 31.69 C ATOM 422 O CYS A 29 14.807 28.609 45.020 1.00 33.09 O ATOM 423 CB CYS A 29 13.332 27.669 47.180 1.00 24.49 C ATOM 424 SG CYS A 29 12.589 27.445 48.825 1.00 23.97 S ATOM 425 HA CYS A 29 15.012 26.382 47.359 1.00 0.00 H ATOM 426 HB2 CYS A 29 12.849 26.974 46.493 1.00 0.00 H ATOM 427 HB3 CYS A 29 13.137 28.692 46.857 1.00 0.00 H ATOM 428 H CYS A 29 15.177 29.238 48.271 1.00 0.00 H ATOM 429 N GLY A 30 16.441 27.090 45.348 1.00 37.08 N ATOM 430 CA GLY A 30 17.060 27.309 44.054 1.00 43.27 C ATOM 431 C GLY A 30 18.481 26.784 44.092 1.00 46.84 C ATOM 432 O GLY A 30 18.707 25.645 44.498 1.00 47.35 O ATOM 433 HA3 GLY A 30 17.070 28.375 43.829 1.00 0.00 H ATOM 434 HA2 GLY A 30 16.496 26.782 43.285 1.00 0.00 H ATOM 435 H GLY A 30 16.855 26.391 45.997 1.00 0.00 H ATOM 436 N TRP A 31 19.444 27.601 43.673 1.00 50.25 N ATOM 437 CA TRP A 31 20.838 27.173 43.685 1.00 52.21 C ATOM 438 C TRP A 31 21.599 27.929 44.761 1.00 51.46 C ATOM 439 O TRP A 31 22.666 27.499 45.201 1.00 51.60 O ATOM 440 CB TRP A 31 21.499 27.423 42.330 1.00 56.31 C ATOM 441 CG TRP A 31 22.817 26.721 42.190 1.00 59.89 C ATOM 442 CD1 TRP A 31 23.016 25.396 41.919 1.00 60.51 C ATOM 443 CD2 TRP A 31 24.119 27.296 42.355 1.00 61.30 C ATOM 444 NE1 TRP A 31 24.360 25.111 41.905 1.00 61.63 N ATOM 445 CE2 TRP A 31 25.061 26.259 42.170 1.00 61.65 C ATOM 446 CE3 TRP A 31 24.582 28.588 42.644 1.00 62.07 C ATOM 447 CZ2 TRP A 31 26.441 26.472 42.263 1.00 62.37 C ATOM 448 CZ3 TRP A 31 25.957 28.801 42.736 1.00 62.41 C ATOM 449 CH2 TRP A 31 26.868 27.746 42.546 1.00 62.66 C ATOM 450 HA TRP A 31 20.863 26.104 43.894 1.00 0.00 H ATOM 451 HB2 TRP A 31 20.830 27.070 41.545 1.00 0.00 H ATOM 452 HB3 TRP A 31 21.660 28.495 42.213 1.00 0.00 H ATOM 453 HE1 TRP A 31 24.778 24.176 41.723 1.00 0.00 H ATOM 454 HD1 TRP A 31 22.223 24.670 41.740 1.00 0.00 H ATOM 455 HZ2 TRP A 31 27.150 25.657 42.116 1.00 0.00 H ATOM 456 HH2 TRP A 31 27.937 27.944 42.625 1.00 0.00 H ATOM 457 HZ3 TRP A 31 26.332 29.800 42.959 1.00 0.00 H ATOM 458 HE3 TRP A 31 23.881 29.409 42.794 1.00 0.00 H ATOM 459 H TRP A 31 19.200 28.553 43.334 1.00 0.00 H ATOM 460 N GLY A 32 21.043 29.061 45.180 1.00 50.48 N ATOM 461 CA GLY A 32 21.682 29.861 46.208 1.00 49.87 C ATOM 462 C GLY A 32 21.865 29.081 47.495 1.00 49.33 C ATOM 463 O GLY A 32 21.507 27.905 47.574 1.00 49.15 O ATOM 464 HA3 GLY A 32 21.064 30.736 46.410 1.00 0.00 H ATOM 465 HA2 GLY A 32 22.659 30.183 45.848 1.00 0.00 H ATOM 466 H GLY A 32 20.142 29.376 44.767 1.00 0.00 H ATOM 467 N GLY A 33 22.420 29.735 48.508 1.00 48.05 N ATOM 468 CA GLY A 33 22.636 29.070 49.776 1.00 46.31 C ATOM 469 C GLY A 33 23.280 29.969 50.811 1.00 44.23 C ATOM 470 O GLY A 33 24.237 29.574 51.478 1.00 46.33 O ATOM 471 HA3 GLY A 33 23.284 28.209 49.612 1.00 0.00 H ATOM 472 HA2 GLY A 33 21.674 28.731 50.160 1.00 0.00 H ATOM 473 H GLY A 33 22.701 30.729 48.390 1.00 0.00 H ATOM 474 N LYS A 34 22.757 31.183 50.949 1.00 40.40 N ATOM 475 CA LYS A 34 23.296 32.129 51.919 1.00 37.96 C ATOM 476 C LYS A 34 22.204 33.040 52.464 1.00 34.33 C ATOM 477 O LYS A 34 21.126 33.148 51.882 1.00 32.66 O ATOM 478 CB LYS A 34 24.403 32.967 51.272 1.00 41.53 C ATOM 479 CG LYS A 34 25.547 32.133 50.717 1.00 45.28 C ATOM 480 CD LYS A 34 26.645 32.992 50.127 1.00 48.10 C ATOM 481 CE LYS A 34 27.812 32.130 49.677 1.00 50.17 C ATOM 482 NZ LYS A 34 28.317 31.260 50.782 1.00 50.02 N ATOM 483 HA LYS A 34 23.712 31.562 52.752 1.00 0.00 H ATOM 484 HB2 LYS A 34 23.968 33.543 50.456 1.00 0.00 H ATOM 485 HB3 LYS A 34 24.804 33.648 52.022 1.00 0.00 H ATOM 486 HG2 LYS A 34 25.966 31.531 51.523 1.00 0.00 H ATOM 487 HG3 LYS A 34 25.158 31.476 49.939 1.00 0.00 H ATOM 488 HD2 LYS A 34 26.251 33.539 49.270 1.00 0.00 H ATOM 489 HD3 LYS A 34 26.991 33.700 50.880 1.00 0.00 H ATOM 490 HE2 LYS A 34 28.621 32.778 49.340 1.00 0.00 H ATOM 491 HE3 LYS A 34 27.486 31.498 48.851 1.00 0.00 H ATOM 492 HZ1 LYS A 34 28.636 31.856 51.573 1.00 0.00 H ATOM 493 HZ2 LYS A 34 27.553 30.633 51.105 1.00 0.00 H ATOM 494 HZ3 LYS A 34 29.113 30.688 50.435 1.00 0.00 H ATOM 495 H LYS A 34 21.950 31.463 50.355 1.00 0.00 H ATOM 496 N GLY A 35 22.487 33.684 53.591 1.00 32.85 N ATOM 497 CA GLY A 35 21.527 34.587 54.195 1.00 30.13 C ATOM 498 C GLY A 35 20.501 33.908 55.080 1.00 30.74 C ATOM 499 O GLY A 35 20.504 32.685 55.242 1.00 27.95 O ATOM 500 HA3 GLY A 35 20.998 35.107 53.396 1.00 0.00 H ATOM 501 HA2 GLY A 35 22.073 35.311 54.799 1.00 0.00 H ATOM 502 H GLY A 35 23.411 33.538 54.047 1.00 0.00 H ATOM 503 N THR A 36 19.619 34.713 55.662 1.00 30.26 N ATOM 504 CA THR A 36 18.572 34.197 56.531 1.00 30.93 C ATOM 505 C THR A 36 17.347 33.826 55.699 1.00 29.70 C ATOM 506 O THR A 36 16.860 34.629 54.903 1.00 27.13 O ATOM 507 CB THR A 36 18.140 35.243 57.575 1.00 33.31 C ATOM 508 OG1 THR A 36 19.275 35.645 58.352 1.00 34.51 O ATOM 509 CG2 THR A 36 17.078 34.661 58.498 1.00 34.46 C ATOM 510 HA THR A 36 18.974 33.323 57.044 1.00 0.00 H ATOM 511 HB THR A 36 17.725 36.107 57.055 1.00 0.00 H ATOM 512 HG1 THR A 36 19.654 34.855 58.814 1.00 0.00 H ATOM 513 HG23 THR A 36 16.214 34.355 57.908 1.00 0.00 H ATOM 514 HG21 THR A 36 17.487 33.797 59.021 1.00 0.00 H ATOM 515 HG22 THR A 36 16.775 35.416 59.223 1.00 0.00 H ATOM 516 H THR A 36 19.678 35.737 55.492 1.00 0.00 H ATOM 517 N PRO A 37 16.842 32.595 55.861 1.00 29.19 N ATOM 518 CA PRO A 37 15.662 32.170 55.102 1.00 28.87 C ATOM 519 C PRO A 37 14.544 33.207 55.262 1.00 28.76 C ATOM 520 O PRO A 37 14.310 33.712 56.363 1.00 28.92 O ATOM 521 CB PRO A 37 15.326 30.822 55.736 1.00 28.20 C ATOM 522 CG PRO A 37 16.679 30.276 56.057 1.00 28.57 C ATOM 523 CD PRO A 37 17.374 31.485 56.672 1.00 30.33 C ATOM 524 HA PRO A 37 15.812 32.083 54.026 1.00 0.00 H ATOM 525 HD3 PRO A 37 17.110 31.601 57.723 1.00 0.00 H ATOM 526 HD2 PRO A 37 18.457 31.409 56.577 1.00 0.00 H ATOM 527 HG3 PRO A 37 17.194 29.939 55.157 1.00 0.00 H ATOM 528 HG2 PRO A 37 16.615 29.452 56.768 1.00 0.00 H ATOM 529 HB2 PRO A 37 14.726 30.948 56.638 1.00 0.00 H ATOM 530 HB3 PRO A 37 14.796 30.177 55.035 1.00 0.00 H ATOM 531 N LYS A 38 13.862 33.523 54.164 1.00 27.07 N ATOM 532 CA LYS A 38 12.798 34.526 54.177 1.00 26.76 C ATOM 533 C LYS A 38 11.559 34.166 54.984 1.00 27.90 C ATOM 534 O LYS A 38 10.945 35.034 55.604 1.00 27.38 O ATOM 535 CB LYS A 38 12.376 34.865 52.746 1.00 26.49 C ATOM 536 CG LYS A 38 13.510 35.373 51.871 1.00 27.19 C ATOM 537 CD LYS A 38 14.243 36.536 52.514 1.00 30.44 C ATOM 538 CE LYS A 38 13.332 37.735 52.722 1.00 33.77 C ATOM 539 NZ LYS A 38 14.063 38.857 53.384 1.00 36.98 N ATOM 540 HA LYS A 38 13.241 35.383 54.683 1.00 0.00 H ATOM 541 HB2 LYS A 38 11.965 33.966 52.287 1.00 0.00 H ATOM 542 HB3 LYS A 38 11.605 35.634 52.789 1.00 0.00 H ATOM 543 HG2 LYS A 38 14.217 34.560 51.702 1.00 0.00 H ATOM 544 HG3 LYS A 38 13.099 35.700 50.916 1.00 0.00 H ATOM 545 HD2 LYS A 38 14.632 36.217 53.481 1.00 0.00 H ATOM 546 HD3 LYS A 38 15.072 36.830 51.870 1.00 0.00 H ATOM 547 HE2 LYS A 38 12.491 37.439 53.349 1.00 0.00 H ATOM 548 HE3 LYS A 38 12.961 38.073 51.754 1.00 0.00 H ATOM 549 HZ1 LYS A 38 14.415 38.541 54.310 1.00 0.00 H ATOM 550 HZ2 LYS A 38 14.864 39.147 52.788 1.00 0.00 H ATOM 551 HZ3 LYS A 38 13.417 39.662 53.513 1.00 0.00 H ATOM 552 H LYS A 38 14.092 33.043 53.271 1.00 0.00 H ATOM 553 N ASP A 39 11.178 32.895 54.965 1.00 25.63 N ATOM 554 CA ASP A 39 10.004 32.446 55.702 1.00 26.06 C ATOM 555 C ASP A 39 10.042 30.934 55.888 1.00 24.14 C ATOM 556 O ASP A 39 11.075 30.308 55.657 1.00 24.04 O ATOM 557 CB ASP A 39 8.727 32.854 54.964 1.00 23.95 C ATOM 558 CG ASP A 39 8.618 32.227 53.589 1.00 25.43 C ATOM 559 OD1 ASP A 39 9.556 31.513 53.178 1.00 24.44 O ATOM 560 OD2 ASP A 39 7.591 32.456 52.914 1.00 25.35 O ATOM 561 HA ASP A 39 10.008 32.919 56.684 1.00 0.00 H ATOM 562 HB2 ASP A 39 7.867 32.544 55.558 1.00 0.00 H ATOM 563 HB3 ASP A 39 8.719 33.938 54.854 1.00 0.00 H ATOM 564 H ASP A 39 11.728 32.206 54.413 1.00 0.00 H ATOM 565 N ALA A 40 8.913 30.357 56.297 1.00 25.64 N ATOM 566 CA ALA A 40 8.810 28.917 56.533 1.00 24.65 C ATOM 567 C ALA A 40 9.152 28.085 55.302 1.00 25.20 C ATOM 568 O ALA A 40 9.901 27.108 55.388 1.00 23.27 O ATOM 569 CB ALA A 40 7.400 28.565 57.016 1.00 26.98 C ATOM 570 HA ALA A 40 9.545 28.672 57.300 1.00 0.00 H ATOM 571 HB1 ALA A 40 7.192 29.097 57.944 1.00 0.00 H ATOM 572 HB2 ALA A 40 6.674 28.858 56.258 1.00 0.00 H ATOM 573 HB3 ALA A 40 7.334 27.491 57.189 1.00 0.00 H ATOM 574 H ALA A 40 8.075 30.952 56.454 1.00 0.00 H ATOM 575 N THR A 41 8.592 28.463 54.162 1.00 23.66 N ATOM 576 CA THR A 41 8.845 27.735 52.925 1.00 23.31 C ATOM 577 C THR A 41 10.329 27.779 52.590 1.00 22.05 C ATOM 578 O THR A 41 10.915 26.777 52.187 1.00 19.86 O ATOM 579 CB THR A 41 8.025 28.333 51.763 1.00 22.38 C ATOM 580 OG1 THR A 41 6.636 28.057 51.979 1.00 21.55 O ATOM 581 CG2 THR A 41 8.450 27.731 50.433 1.00 21.17 C ATOM 582 HA THR A 41 8.539 26.698 53.066 1.00 0.00 H ATOM 583 HB THR A 41 8.200 29.408 51.731 1.00 0.00 H ATOM 584 HG1 THR A 41 6.349 28.465 52.834 1.00 0.00 H ATOM 585 HG23 THR A 41 9.507 27.938 50.263 1.00 0.00 H ATOM 586 HG21 THR A 41 8.288 26.653 50.455 1.00 0.00 H ATOM 587 HG22 THR A 41 7.858 28.172 49.631 1.00 0.00 H ATOM 588 H THR A 41 7.963 29.291 54.150 1.00 0.00 H ATOM 589 N ASP A 42 10.942 28.945 52.775 1.00 21.99 N ATOM 590 CA ASP A 42 12.359 29.099 52.483 1.00 22.11 C ATOM 591 C ASP A 42 13.164 28.247 53.468 1.00 23.19 C ATOM 592 O ASP A 42 14.176 27.654 53.104 1.00 21.89 O ATOM 593 CB ASP A 42 12.758 30.576 52.589 1.00 22.21 C ATOM 594 CG ASP A 42 14.063 30.887 51.871 1.00 25.05 C ATOM 595 OD1 ASP A 42 14.493 30.082 51.022 1.00 21.92 O ATOM 596 OD2 ASP A 42 14.657 31.948 52.145 1.00 23.41 O ATOM 597 HA ASP A 42 12.568 28.764 51.467 1.00 0.00 H ATOM 598 HB2 ASP A 42 11.966 31.183 52.151 1.00 0.00 H ATOM 599 HB3 ASP A 42 12.870 30.832 53.643 1.00 0.00 H ATOM 600 H ASP A 42 10.401 29.758 53.133 1.00 0.00 H ATOM 601 N ARG A 43 12.716 28.178 54.717 1.00 21.21 N ATOM 602 CA ARG A 43 13.436 27.361 55.685 1.00 22.79 C ATOM 603 C ARG A 43 13.375 25.895 55.270 1.00 21.59 C ATOM 604 O ARG A 43 14.311 25.137 55.526 1.00 22.37 O ATOM 605 CB ARG A 43 12.875 27.550 57.098 1.00 23.98 C ATOM 606 CG ARG A 43 13.390 28.809 57.786 1.00 27.30 C ATOM 607 CD ARG A 43 13.105 28.785 59.279 1.00 26.96 C ATOM 608 NE ARG A 43 11.677 28.793 59.577 1.00 29.11 N ATOM 609 CZ ARG A 43 10.896 29.868 59.498 1.00 30.52 C ATOM 610 NH1 ARG A 43 11.400 31.039 59.130 1.00 31.86 N ATOM 611 NH2 ARG A 43 9.608 29.772 59.787 1.00 30.98 N ATOM 612 HA ARG A 43 14.478 27.682 55.701 1.00 0.00 H ATOM 613 HB2 ARG A 43 11.788 27.610 57.034 1.00 0.00 H ATOM 614 HB3 ARG A 43 13.156 26.686 57.701 1.00 0.00 H ATOM 615 HG2 ARG A 43 14.467 28.882 57.632 1.00 0.00 H ATOM 616 HG3 ARG A 43 12.902 29.678 57.346 1.00 0.00 H ATOM 617 HD2 ARG A 43 13.562 29.662 59.736 1.00 0.00 H ATOM 618 HD3 ARG A 43 13.546 27.884 59.705 1.00 0.00 H ATOM 619 HE ARG A 43 11.239 27.897 59.872 1.00 0.00 H ATOM 620 HH12 ARG A 43 10.784 31.875 59.070 1.00 0.00 H ATOM 621 HH11 ARG A 43 12.411 31.121 58.901 1.00 0.00 H ATOM 622 HH22 ARG A 43 8.997 30.612 59.725 1.00 0.00 H ATOM 623 HH21 ARG A 43 9.207 28.857 60.076 1.00 0.00 H ATOM 624 H ARG A 43 11.862 28.700 55.000 1.00 0.00 H ATOM 625 N CYS A 44 12.279 25.490 54.632 1.00 20.67 N ATOM 626 CA CYS A 44 12.165 24.109 54.166 1.00 22.20 C ATOM 627 C CYS A 44 13.327 23.826 53.216 1.00 22.18 C ATOM 628 O CYS A 44 13.939 22.753 53.259 1.00 22.45 O ATOM 629 CB CYS A 44 10.863 23.880 53.396 1.00 22.50 C ATOM 630 SG CYS A 44 9.283 23.994 54.299 1.00 23.97 S ATOM 631 HA CYS A 44 12.178 23.452 55.035 1.00 0.00 H ATOM 632 HB2 CYS A 44 10.916 22.880 52.965 1.00 0.00 H ATOM 633 HB3 CYS A 44 10.829 24.618 52.595 1.00 0.00 H ATOM 634 H CYS A 44 11.501 26.159 54.464 1.00 0.00 H ATOM 635 N CYS A 45 13.624 24.790 52.345 1.00 20.47 N ATOM 636 CA CYS A 45 14.711 24.625 51.382 1.00 19.18 C ATOM 637 C CYS A 45 16.069 24.631 52.065 1.00 22.06 C ATOM 638 O CYS A 45 16.968 23.886 51.676 1.00 18.77 O ATOM 639 CB CYS A 45 14.644 25.711 50.302 1.00 20.49 C ATOM 640 SG CYS A 45 13.114 25.546 49.328 1.00 24.54 S ATOM 641 HA CYS A 45 14.586 23.652 50.906 1.00 0.00 H ATOM 642 HB2 CYS A 45 15.504 25.612 49.640 1.00 0.00 H ATOM 643 HB3 CYS A 45 14.663 26.692 50.777 1.00 0.00 H ATOM 644 H CYS A 45 13.074 25.673 52.351 1.00 0.00 H ATOM 645 N PHE A 46 16.209 25.467 53.091 1.00 19.38 N ATOM 646 CA PHE A 46 17.453 25.536 53.844 1.00 21.32 C ATOM 647 C PHE A 46 17.730 24.153 54.434 1.00 19.58 C ATOM 648 O PHE A 46 18.828 23.600 54.301 1.00 19.01 O ATOM 649 CB PHE A 46 17.321 26.551 54.983 1.00 22.35 C ATOM 650 CG PHE A 46 18.492 26.557 55.923 1.00 24.96 C ATOM 651 CD1 PHE A 46 19.700 27.135 55.546 1.00 25.84 C ATOM 652 CD2 PHE A 46 18.398 25.950 57.168 1.00 27.95 C ATOM 653 CE1 PHE A 46 20.804 27.108 56.397 1.00 29.98 C ATOM 654 CE2 PHE A 46 19.498 25.916 58.029 1.00 30.09 C ATOM 655 CZ PHE A 46 20.704 26.498 57.638 1.00 28.91 C ATOM 656 HA PHE A 46 18.267 25.846 53.188 1.00 0.00 H ATOM 657 HB2 PHE A 46 17.223 27.546 54.549 1.00 0.00 H ATOM 658 HB3 PHE A 46 16.423 26.314 55.553 1.00 0.00 H ATOM 659 HD2 PHE A 46 17.457 25.495 57.477 1.00 0.00 H ATOM 660 HE2 PHE A 46 19.414 25.436 59.004 1.00 0.00 H ATOM 661 HZ PHE A 46 21.565 26.473 58.306 1.00 0.00 H ATOM 662 HE1 PHE A 46 21.744 27.565 56.087 1.00 0.00 H ATOM 663 HD1 PHE A 46 19.785 27.616 54.571 1.00 0.00 H ATOM 664 H PHE A 46 15.415 26.082 53.360 1.00 0.00 H ATOM 665 N VAL A 47 16.719 23.600 55.094 1.00 21.10 N ATOM 666 CA VAL A 47 16.840 22.286 55.714 1.00 20.16 C ATOM 667 C VAL A 47 17.153 21.221 54.667 1.00 20.69 C ATOM 668 O VAL A 47 17.987 20.338 54.894 1.00 19.77 O ATOM 669 CB VAL A 47 15.544 21.924 56.470 1.00 21.02 C ATOM 670 CG1 VAL A 47 15.581 20.477 56.933 1.00 20.79 C ATOM 671 CG2 VAL A 47 15.380 22.861 57.671 1.00 23.85 C ATOM 672 HA VAL A 47 17.663 22.322 56.427 1.00 0.00 H ATOM 673 HB VAL A 47 14.694 22.043 55.798 1.00 0.00 H ATOM 674 HG11 VAL A 47 15.680 19.822 56.067 1.00 0.00 H ATOM 675 HG12 VAL A 47 16.431 20.332 57.599 1.00 0.00 H ATOM 676 HG13 VAL A 47 14.658 20.243 57.464 1.00 0.00 H ATOM 677 HG21 VAL A 47 16.235 22.749 58.337 1.00 0.00 H ATOM 678 HG22 VAL A 47 15.323 23.892 57.321 1.00 0.00 H ATOM 679 HG23 VAL A 47 14.465 22.607 58.206 1.00 0.00 H ATOM 680 H VAL A 47 15.820 24.117 55.170 1.00 0.00 H ATOM 681 N HIS A 48 16.484 21.309 53.521 1.00 18.43 N ATOM 682 CA HIS A 48 16.698 20.360 52.433 1.00 18.32 C ATOM 683 C HIS A 48 18.167 20.394 52.024 1.00 21.43 C ATOM 684 O HIS A 48 18.776 19.353 51.776 1.00 21.28 O ATOM 685 CB HIS A 48 15.798 20.713 51.243 1.00 20.73 C ATOM 686 CG HIS A 48 15.823 19.703 50.136 1.00 21.80 C ATOM 687 ND1 HIS A 48 16.314 19.991 48.881 1.00 23.78 N ATOM 688 CD2 HIS A 48 15.388 18.420 50.086 1.00 22.54 C ATOM 689 CE1 HIS A 48 16.176 18.931 48.103 1.00 26.55 C ATOM 690 NE2 HIS A 48 15.617 17.964 48.809 1.00 22.37 N ATOM 691 HA HIS A 48 16.442 19.354 52.766 1.00 0.00 H ATOM 692 HB2 HIS A 48 14.773 20.801 51.603 1.00 0.00 H ATOM 693 HB3 HIS A 48 16.124 21.672 50.839 1.00 0.00 H ATOM 694 HD2 HIS A 48 14.941 17.856 50.904 1.00 0.00 H ATOM 695 HE1 HIS A 48 16.473 18.866 47.056 1.00 0.00 H ATOM 696 H HIS A 48 15.790 22.074 53.397 1.00 0.00 H ATOM 697 N ASP A 49 18.736 21.597 51.968 1.00 22.72 N ATOM 698 CA ASP A 49 20.140 21.759 51.604 1.00 24.39 C ATOM 699 C ASP A 49 21.052 21.099 52.626 1.00 23.97 C ATOM 700 O ASP A 49 22.036 20.455 52.273 1.00 23.50 O ATOM 701 CB ASP A 49 20.501 23.242 51.486 1.00 26.76 C ATOM 702 CG ASP A 49 20.054 23.844 50.177 1.00 31.93 C ATOM 703 OD1 ASP A 49 19.857 23.069 49.222 1.00 32.50 O ATOM 704 OD2 ASP A 49 19.915 25.083 50.096 1.00 34.75 O ATOM 705 HA ASP A 49 20.285 21.275 50.638 1.00 0.00 H ATOM 706 HB2 ASP A 49 20.023 23.784 52.302 1.00 0.00 H ATOM 707 HB3 ASP A 49 21.583 23.346 51.567 1.00 0.00 H ATOM 708 H ASP A 49 18.167 22.439 52.188 1.00 0.00 H ATOM 709 N CYS A 50 20.724 21.259 53.899 1.00 23.31 N ATOM 710 CA CYS A 50 21.535 20.655 54.945 1.00 22.77 C ATOM 711 C CYS A 50 21.463 19.141 54.865 1.00 23.35 C ATOM 712 O CYS A 50 22.453 18.453 55.104 1.00 24.02 O ATOM 713 CB CYS A 50 21.053 21.105 56.314 1.00 24.11 C ATOM 714 SG CYS A 50 21.250 22.883 56.632 1.00 27.70 S ATOM 715 HA CYS A 50 22.567 20.975 54.800 1.00 0.00 H ATOM 716 HB2 CYS A 50 21.616 20.559 57.071 1.00 0.00 H ATOM 717 HB3 CYS A 50 19.995 20.858 56.401 1.00 0.00 H ATOM 718 H CYS A 50 19.884 21.818 54.152 1.00 0.00 H ATOM 719 N CYS A 51 20.283 18.627 54.536 1.00 21.64 N ATOM 720 CA CYS A 51 20.083 17.186 54.430 1.00 21.31 C ATOM 721 C CYS A 51 20.982 16.667 53.308 1.00 21.07 C ATOM 722 O CYS A 51 21.725 15.704 53.491 1.00 21.88 O ATOM 723 CB CYS A 51 18.611 16.900 54.127 1.00 19.80 C ATOM 724 SG CYS A 51 18.014 15.202 54.412 1.00 20.98 S ATOM 725 HA CYS A 51 20.340 16.685 55.363 1.00 0.00 H ATOM 726 HB2 CYS A 51 18.441 17.135 53.076 1.00 0.00 H ATOM 727 HB3 CYS A 51 18.013 17.566 54.749 1.00 0.00 H ATOM 728 H CYS A 51 19.484 19.266 54.350 1.00 0.00 H ATOM 729 N TYR A 52 20.909 17.323 52.153 1.00 22.48 N ATOM 730 CA TYR A 52 21.723 16.974 50.990 1.00 22.81 C ATOM 731 C TYR A 52 23.203 17.132 51.302 1.00 23.73 C ATOM 732 O TYR A 52 24.040 16.379 50.802 1.00 24.45 O ATOM 733 CB TYR A 52 21.384 17.900 49.824 1.00 22.64 C ATOM 734 CG TYR A 52 20.304 17.411 48.887 1.00 22.60 C ATOM 735 CD1 TYR A 52 19.423 16.397 49.255 1.00 23.01 C ATOM 736 CD2 TYR A 52 20.156 17.989 47.628 1.00 23.98 C ATOM 737 CE1 TYR A 52 18.417 15.974 48.387 1.00 22.03 C ATOM 738 CE2 TYR A 52 19.165 17.577 46.762 1.00 24.67 C ATOM 739 CZ TYR A 52 18.299 16.574 47.142 1.00 24.90 C ATOM 740 OH TYR A 52 17.311 16.190 46.276 1.00 24.01 O ATOM 741 HA TYR A 52 21.511 15.937 50.731 1.00 0.00 H ATOM 742 HB3 TYR A 52 22.292 18.048 49.240 1.00 0.00 H ATOM 743 HB2 TYR A 52 21.060 18.855 50.238 1.00 0.00 H ATOM 744 HD2 TYR A 52 20.837 18.783 47.321 1.00 0.00 H ATOM 745 HE2 TYR A 52 19.067 18.042 45.781 1.00 0.00 H ATOM 746 HE1 TYR A 52 17.731 15.181 48.684 1.00 0.00 H ATOM 747 HD1 TYR A 52 19.521 15.928 50.234 1.00 0.00 H ATOM 748 HH TYR A 52 16.776 15.466 46.688 1.00 0.00 H ATOM 749 H TYR A 52 20.244 18.119 52.074 1.00 0.00 H ATOM 750 N GLY A 53 23.520 18.130 52.117 1.00 24.97 N ATOM 751 CA GLY A 53 24.902 18.392 52.472 1.00 29.26 C ATOM 752 C GLY A 53 25.484 17.324 53.371 1.00 30.82 C ATOM 753 O GLY A 53 26.692 17.282 53.608 1.00 32.43 O ATOM 754 HA3 GLY A 53 24.954 19.350 52.989 1.00 0.00 H ATOM 755 HA2 GLY A 53 25.494 18.440 51.558 1.00 0.00 H ATOM 756 H GLY A 53 22.767 18.733 52.507 1.00 0.00 H ATOM 757 N ASN A 54 24.618 16.461 53.881 1.00 26.85 N ATOM 758 CA ASN A 54 25.058 15.390 54.754 1.00 29.20 C ATOM 759 C ASN A 54 25.061 14.053 54.028 1.00 26.24 C ATOM 760 O ASN A 54 25.044 12.995 54.650 1.00 26.09 O ATOM 761 CB ASN A 54 24.179 15.351 56.002 1.00 29.72 C ATOM 762 CG ASN A 54 24.642 16.335 57.056 1.00 33.18 C ATOM 763 OD1 ASN A 54 25.567 16.051 57.816 1.00 33.57 O ATOM 764 ND2 ASN A 54 24.020 17.509 57.092 1.00 33.78 N ATOM 765 HA ASN A 54 26.086 15.584 55.061 1.00 0.00 H ATOM 766 HB2 ASN A 54 23.155 15.595 55.719 1.00 0.00 H ATOM 767 HB3 ASN A 54 24.209 14.346 56.422 1.00 0.00 H ATOM 768 HD22 ASN A 54 23.242 17.706 56.430 1.00 0.00 H ATOM 769 HD21 ASN A 54 24.311 18.231 57.782 1.00 0.00 H ATOM 770 H ASN A 54 23.608 16.553 53.652 1.00 0.00 H ATOM 771 N LEU A 55 25.092 14.126 52.699 1.00 25.84 N ATOM 772 CA LEU A 55 25.134 12.953 51.832 1.00 25.87 C ATOM 773 C LEU A 55 26.348 13.118 50.909 1.00 28.58 C ATOM 774 O LEU A 55 26.224 13.075 49.683 1.00 27.71 O ATOM 775 CB LEU A 55 23.852 12.856 50.996 1.00 25.24 C ATOM 776 CG LEU A 55 22.521 12.770 51.754 1.00 25.65 C ATOM 777 CD1 LEU A 55 21.385 12.512 50.778 1.00 25.30 C ATOM 778 CD2 LEU A 55 22.583 11.643 52.772 1.00 25.93 C ATOM 779 HA LEU A 55 25.213 12.042 52.426 1.00 0.00 H ATOM 780 HB2 LEU A 55 23.809 13.739 50.358 1.00 0.00 H ATOM 781 HB3 LEU A 55 23.933 11.964 50.374 1.00 0.00 H ATOM 782 HG LEU A 55 22.343 13.714 52.269 1.00 0.00 H ATOM 783 HD21 LEU A 55 22.768 10.700 52.257 1.00 0.00 H ATOM 784 HD22 LEU A 55 23.390 11.837 53.479 1.00 0.00 H ATOM 785 HD23 LEU A 55 21.635 11.586 53.308 1.00 0.00 H ATOM 786 HD11 LEU A 55 21.336 13.327 50.056 1.00 0.00 H ATOM 787 HD12 LEU A 55 21.563 11.572 50.255 1.00 0.00 H ATOM 788 HD13 LEU A 55 20.444 12.452 51.325 1.00 0.00 H ATOM 789 H LEU A 55 25.086 15.067 52.256 1.00 0.00 H ATOM 790 N PRO A 56 27.542 13.309 51.498 1.00 30.09 N ATOM 791 CA PRO A 56 28.797 13.493 50.757 1.00 32.87 C ATOM 792 C PRO A 56 29.099 12.358 49.788 1.00 34.83 C ATOM 793 O PRO A 56 29.623 12.576 48.694 1.00 32.22 O ATOM 794 CB PRO A 56 29.851 13.565 51.863 1.00 33.49 C ATOM 795 CG PRO A 56 29.074 13.963 53.088 1.00 32.63 C ATOM 796 CD PRO A 56 27.816 13.168 52.937 1.00 31.67 C ATOM 797 HA PRO A 56 28.761 14.378 50.122 1.00 0.00 H ATOM 798 HD3 PRO A 56 27.970 12.124 53.212 1.00 0.00 H ATOM 799 HD2 PRO A 56 27.008 13.585 53.538 1.00 0.00 H ATOM 800 HG3 PRO A 56 28.867 15.033 53.095 1.00 0.00 H ATOM 801 HG2 PRO A 56 29.606 13.691 54.000 1.00 0.00 H ATOM 802 HB2 PRO A 56 30.329 12.596 52.006 1.00 0.00 H ATOM 803 HB3 PRO A 56 30.610 14.311 51.627 1.00 0.00 H ATOM 804 N ASP A 59 28.764 11.146 50.210 1.00 39.86 N ATOM 805 CA ASP A 59 29.010 9.949 49.423 1.00 40.66 C ATOM 806 C ASP A 59 27.961 9.710 48.341 1.00 40.88 C ATOM 807 O ASP A 59 27.940 8.648 47.716 1.00 41.27 O ATOM 808 CB ASP A 59 29.085 8.739 50.356 1.00 40.42 C ATOM 809 CG ASP A 59 27.794 8.510 51.121 1.00 42.19 C ATOM 810 OD1 ASP A 59 27.294 9.461 51.757 1.00 41.14 O ATOM 811 OD2 ASP A 59 27.282 7.370 51.091 1.00 43.16 O ATOM 812 HA ASP A 59 29.958 10.095 48.904 1.00 0.00 H ATOM 813 HB2 ASP A 59 29.300 7.852 49.761 1.00 0.00 H ATOM 814 HB3 ASP A 59 29.891 8.899 51.072 1.00 0.00 H ATOM 815 H ASP A 59 28.308 11.048 51.140 1.00 0.00 H ATOM 816 N CYS A 61 27.098 10.696 48.114 1.00 37.58 N ATOM 817 CA CYS A 61 26.059 10.567 47.099 1.00 35.39 C ATOM 818 C CYS A 61 26.025 11.747 46.128 1.00 37.74 C ATOM 819 O CYS A 61 26.804 12.697 46.242 1.00 35.72 O ATOM 820 CB CYS A 61 24.680 10.438 47.755 1.00 33.50 C ATOM 821 SG CYS A 61 24.523 9.220 49.099 1.00 30.66 S ATOM 822 HA CYS A 61 26.302 9.668 46.533 1.00 0.00 H ATOM 823 HB2 CYS A 61 23.968 10.164 46.976 1.00 0.00 H ATOM 824 HB3 CYS A 61 24.415 11.414 48.161 1.00 0.00 H ATOM 825 H CYS A 61 27.165 11.573 48.669 1.00 0.00 H ATOM 826 N ASN A 67 25.104 11.664 45.172 1.00 44.73 N ATOM 827 CA ASN A 67 24.896 12.695 44.162 1.00 45.52 C ATOM 828 C ASN A 67 23.400 13.010 44.167 1.00 44.35 C ATOM 829 O ASN A 67 22.667 12.606 43.269 1.00 41.90 O ATOM 830 CB ASN A 67 25.309 12.180 42.781 1.00 47.73 C ATOM 831 CG ASN A 67 26.788 11.867 42.692 1.00 48.93 C ATOM 832 OD1 ASN A 67 27.630 12.764 42.753 1.00 49.52 O ATOM 833 ND2 ASN A 67 27.114 10.587 42.548 1.00 49.07 N ATOM 834 HA ASN A 67 25.494 13.580 44.380 1.00 0.00 H ATOM 835 HB2 ASN A 67 24.746 11.272 42.565 1.00 0.00 H ATOM 836 HB3 ASN A 67 25.068 12.941 42.038 1.00 0.00 H ATOM 837 HD22 ASN A 67 26.369 9.863 42.501 1.00 0.00 H ATOM 838 HD21 ASN A 67 28.114 10.309 42.482 1.00 0.00 H ATOM 839 H ASN A 67 24.500 10.818 45.143 1.00 0.00 H ATOM 840 N PRO A 68 22.934 13.735 45.195 1.00 45.19 N ATOM 841 CA PRO A 68 21.537 14.138 45.392 1.00 46.77 C ATOM 842 C PRO A 68 20.777 14.593 44.147 1.00 47.87 C ATOM 843 O PRO A 68 19.733 14.035 43.812 1.00 47.61 O ATOM 844 CB PRO A 68 21.652 15.248 46.430 1.00 46.51 C ATOM 845 CG PRO A 68 22.784 14.778 47.271 1.00 46.27 C ATOM 846 CD PRO A 68 23.792 14.330 46.235 1.00 44.90 C ATOM 847 HA PRO A 68 20.934 13.283 45.697 1.00 0.00 H ATOM 848 HD3 PRO A 68 24.358 15.175 45.844 1.00 0.00 H ATOM 849 HD2 PRO A 68 24.481 13.593 46.648 1.00 0.00 H ATOM 850 HG3 PRO A 68 22.482 13.950 47.912 1.00 0.00 H ATOM 851 HG2 PRO A 68 23.182 15.586 47.885 1.00 0.00 H ATOM 852 HB2 PRO A 68 21.879 16.206 45.961 1.00 0.00 H ATOM 853 HB3 PRO A 68 20.736 15.339 47.015 1.00 0.00 H ATOM 854 N LYS A 69 21.305 15.606 43.471 1.00 49.46 N ATOM 855 CA LYS A 69 20.668 16.164 42.282 1.00 51.32 C ATOM 856 C LYS A 69 20.608 15.237 41.073 1.00 51.49 C ATOM 857 O LYS A 69 19.685 15.333 40.267 1.00 50.97 O ATOM 858 CB LYS A 69 21.377 17.455 41.869 1.00 53.10 C ATOM 859 CG LYS A 69 21.361 18.553 42.919 1.00 54.84 C ATOM 860 CD LYS A 69 22.183 19.749 42.457 1.00 56.49 C ATOM 861 CE LYS A 69 22.123 20.888 43.459 1.00 56.81 C ATOM 862 NZ LYS A 69 22.946 22.049 43.016 1.00 57.40 N ATOM 863 HA LYS A 69 19.634 16.340 42.580 1.00 0.00 H ATOM 864 HB2 LYS A 69 22.416 17.215 41.644 1.00 0.00 H ATOM 865 HB3 LYS A 69 20.891 17.837 40.971 1.00 0.00 H ATOM 866 HG2 LYS A 69 20.332 18.870 43.091 1.00 0.00 H ATOM 867 HG3 LYS A 69 21.781 18.167 43.848 1.00 0.00 H ATOM 868 HD2 LYS A 69 23.221 19.439 42.334 1.00 0.00 H ATOM 869 HD3 LYS A 69 21.794 20.098 41.500 1.00 0.00 H ATOM 870 HE2 LYS A 69 22.497 20.535 44.420 1.00 0.00 H ATOM 871 HE3 LYS A 69 21.087 21.209 43.569 1.00 0.00 H ATOM 872 HZ1 LYS A 69 23.937 21.751 42.914 1.00 0.00 H ATOM 873 HZ2 LYS A 69 22.591 22.395 42.102 1.00 0.00 H ATOM 874 HZ3 LYS A 69 22.882 22.808 43.724 1.00 0.00 H ATOM 875 H LYS A 69 22.203 16.016 43.799 1.00 0.00 H ATOM 876 N SER A 70 21.582 14.343 40.943 1.00 51.40 N ATOM 877 CA SER A 70 21.622 13.442 39.797 1.00 51.16 C ATOM 878 C SER A 70 21.065 12.034 40.001 1.00 49.37 C ATOM 879 O SER A 70 20.312 11.539 39.163 1.00 49.02 O ATOM 880 CB SER A 70 23.054 13.339 39.271 1.00 52.79 C ATOM 881 OG SER A 70 23.117 12.464 38.160 1.00 56.48 O ATOM 882 HA SER A 70 20.943 13.904 39.080 1.00 0.00 H ATOM 883 HB2 SER A 70 23.700 12.960 40.063 1.00 0.00 H ATOM 884 HB3 SER A 70 23.396 14.328 38.968 1.00 0.00 H ATOM 885 HG SER A 70 22.810 11.563 38.433 1.00 0.00 H ATOM 886 H SER A 70 22.326 14.285 41.668 1.00 0.00 H ATOM 887 N ASP A 71 21.439 11.386 41.100 1.00 46.81 N ATOM 888 CA ASP A 71 20.981 10.027 41.376 1.00 44.37 C ATOM 889 C ASP A 71 19.471 9.844 41.276 1.00 42.12 C ATOM 890 O ASP A 71 18.700 10.599 41.870 1.00 39.61 O ATOM 891 CB ASP A 71 21.449 9.574 42.762 1.00 46.34 C ATOM 892 CG ASP A 71 22.960 9.532 42.882 1.00 48.68 C ATOM 893 OD1 ASP A 71 23.615 8.989 41.968 1.00 49.67 O ATOM 894 OD2 ASP A 71 23.492 10.030 43.895 1.00 47.96 O ATOM 895 HA ASP A 71 21.426 9.410 40.596 1.00 0.00 H ATOM 896 HB2 ASP A 71 21.058 10.268 43.507 1.00 0.00 H ATOM 897 HB3 ASP A 71 21.055 8.576 42.955 1.00 0.00 H ATOM 898 H ASP A 71 22.071 11.857 41.778 1.00 0.00 H ATOM 899 N ARG A 72 19.058 8.830 40.520 1.00 39.12 N ATOM 900 CA ARG A 72 17.645 8.521 40.342 1.00 38.25 C ATOM 901 C ARG A 72 17.245 7.488 41.383 1.00 37.37 C ATOM 902 O ARG A 72 18.035 6.613 41.733 1.00 37.76 O ATOM 903 CB ARG A 72 17.391 7.944 38.945 1.00 39.89 C ATOM 904 CG ARG A 72 17.769 8.866 37.803 1.00 41.55 C ATOM 905 CD ARG A 72 16.846 10.070 37.731 1.00 42.72 C ATOM 906 NE ARG A 72 15.452 9.690 37.524 1.00 43.30 N ATOM 907 CZ ARG A 72 14.995 9.027 36.465 1.00 45.74 C ATOM 908 NH1 ARG A 72 15.819 8.658 35.495 1.00 47.92 N ATOM 909 NH2 ARG A 72 13.705 8.733 36.375 1.00 46.47 N ATOM 910 HA ARG A 72 17.060 9.434 40.455 1.00 0.00 H ATOM 911 HB2 ARG A 72 17.969 7.025 38.846 1.00 0.00 H ATOM 912 HB3 ARG A 72 16.329 7.714 38.860 1.00 0.00 H ATOM 913 HG2 ARG A 72 18.792 9.212 37.950 1.00 0.00 H ATOM 914 HG3 ARG A 72 17.705 8.314 36.865 1.00 0.00 H ATOM 915 HD2 ARG A 72 17.163 10.705 36.904 1.00 0.00 H ATOM 916 HD3 ARG A 72 16.923 10.627 38.665 1.00 0.00 H ATOM 917 HE ARG A 72 14.766 9.957 38.258 1.00 0.00 H ATOM 918 HH12 ARG A 72 15.453 8.140 34.671 1.00 0.00 H ATOM 919 HH11 ARG A 72 16.832 8.886 35.558 1.00 0.00 H ATOM 920 HH22 ARG A 72 13.346 8.215 35.548 1.00 0.00 H ATOM 921 HH21 ARG A 72 13.052 9.021 37.132 1.00 0.00 H ATOM 922 H ARG A 72 19.767 8.239 40.041 1.00 0.00 H ATOM 923 N TYR A 73 16.019 7.591 41.878 1.00 36.23 N ATOM 924 CA TYR A 73 15.526 6.648 42.871 1.00 35.96 C ATOM 925 C TYR A 73 14.041 6.424 42.656 1.00 36.72 C ATOM 926 O TYR A 73 13.381 7.195 41.957 1.00 36.93 O ATOM 927 CB TYR A 73 15.795 7.170 44.290 1.00 34.83 C ATOM 928 CG TYR A 73 15.055 8.441 44.653 1.00 31.32 C ATOM 929 CD1 TYR A 73 13.723 8.406 45.066 1.00 30.16 C ATOM 930 CD2 TYR A 73 15.685 9.680 44.566 1.00 30.97 C ATOM 931 CE1 TYR A 73 13.038 9.578 45.385 1.00 29.56 C ATOM 932 CE2 TYR A 73 15.010 10.856 44.880 1.00 28.74 C ATOM 933 CZ TYR A 73 13.690 10.799 45.289 1.00 28.24 C ATOM 934 OH TYR A 73 13.025 11.961 45.605 1.00 25.40 O ATOM 935 HA TYR A 73 16.051 5.699 42.758 1.00 0.00 H ATOM 936 HB3 TYR A 73 16.864 7.362 44.384 1.00 0.00 H ATOM 937 HB2 TYR A 73 15.503 6.394 44.998 1.00 0.00 H ATOM 938 HD2 TYR A 73 16.726 9.730 44.246 1.00 0.00 H ATOM 939 HE2 TYR A 73 15.519 11.817 44.804 1.00 0.00 H ATOM 940 HE1 TYR A 73 11.998 9.535 45.707 1.00 0.00 H ATOM 941 HD1 TYR A 73 13.210 7.447 45.141 1.00 0.00 H ATOM 942 HH TYR A 73 13.492 12.414 46.351 1.00 0.00 H ATOM 943 H TYR A 73 15.399 8.359 41.551 1.00 0.00 H ATOM 944 N LYS A 74 13.519 5.360 43.252 1.00 36.76 N ATOM 945 CA LYS A 74 12.108 5.037 43.111 1.00 38.59 C ATOM 946 C LYS A 74 11.405 5.185 44.452 1.00 36.37 C ATOM 947 O LYS A 74 12.014 5.002 45.502 1.00 37.15 O ATOM 948 CB LYS A 74 11.946 3.598 42.614 1.00 41.19 C ATOM 949 CG LYS A 74 10.632 3.337 41.905 1.00 45.50 C ATOM 950 CD LYS A 74 10.719 3.732 40.439 1.00 47.55 C ATOM 951 CE LYS A 74 11.391 2.645 39.616 1.00 49.29 C ATOM 952 NZ LYS A 74 10.543 1.418 39.543 1.00 51.65 N ATOM 953 HA LYS A 74 11.664 5.722 42.389 1.00 0.00 H ATOM 954 HB2 LYS A 74 12.759 3.380 41.921 1.00 0.00 H ATOM 955 HB3 LYS A 74 12.012 2.929 43.472 1.00 0.00 H ATOM 956 HG2 LYS A 74 10.393 2.276 41.976 1.00 0.00 H ATOM 957 HG3 LYS A 74 9.845 3.918 42.386 1.00 0.00 H ATOM 958 HD2 LYS A 74 9.713 3.898 40.055 1.00 0.00 H ATOM 959 HD3 LYS A 74 11.296 4.652 40.352 1.00 0.00 H ATOM 960 HE2 LYS A 74 12.346 2.390 40.076 1.00 0.00 H ATOM 961 HE3 LYS A 74 11.563 3.019 38.607 1.00 0.00 H ATOM 962 HZ1 LYS A 74 10.379 1.054 40.503 1.00 0.00 H ATOM 963 HZ2 LYS A 74 9.632 1.654 39.100 1.00 0.00 H ATOM 964 HZ3 LYS A 74 11.029 0.695 38.975 1.00 0.00 H ATOM 965 H LYS A 74 14.129 4.747 43.830 1.00 0.00 H ATOM 966 N TYR A 75 10.123 5.529 44.409 1.00 34.74 N ATOM 967 CA TYR A 75 9.336 5.675 45.624 1.00 34.09 C ATOM 968 C TYR A 75 7.884 5.336 45.321 1.00 36.15 C ATOM 969 O TYR A 75 7.475 5.294 44.160 1.00 35.74 O ATOM 970 CB TYR A 75 9.473 7.098 46.194 1.00 34.14 C ATOM 971 CG TYR A 75 8.651 8.175 45.517 1.00 31.49 C ATOM 972 CD1 TYR A 75 7.326 8.413 45.894 1.00 28.98 C ATOM 973 CD2 TYR A 75 9.206 8.980 44.522 1.00 31.70 C ATOM 974 CE1 TYR A 75 6.578 9.428 45.298 1.00 29.27 C ATOM 975 CE2 TYR A 75 8.464 9.995 43.920 1.00 30.55 C ATOM 976 CZ TYR A 75 7.154 10.212 44.314 1.00 27.63 C ATOM 977 OH TYR A 75 6.421 11.213 43.725 1.00 31.41 O ATOM 978 HA TYR A 75 9.707 4.987 46.384 1.00 0.00 H ATOM 979 HB3 TYR A 75 10.522 7.386 46.121 1.00 0.00 H ATOM 980 HB2 TYR A 75 9.179 7.065 47.243 1.00 0.00 H ATOM 981 HD2 TYR A 75 10.237 8.813 44.210 1.00 0.00 H ATOM 982 HE2 TYR A 75 8.912 10.615 43.143 1.00 0.00 H ATOM 983 HE1 TYR A 75 5.547 9.603 45.605 1.00 0.00 H ATOM 984 HD1 TYR A 75 6.870 7.795 46.667 1.00 0.00 H ATOM 985 HH TYR A 75 5.513 11.231 44.119 1.00 0.00 H ATOM 986 H TYR A 75 9.672 5.698 43.487 1.00 0.00 H ATOM 987 N LYS A 76 7.111 5.074 46.368 1.00 37.71 N ATOM 988 CA LYS A 76 5.708 4.718 46.208 1.00 40.72 C ATOM 989 C LYS A 76 4.839 5.501 47.175 1.00 40.84 C ATOM 990 O LYS A 76 5.338 6.226 48.032 1.00 41.28 O ATOM 991 CB LYS A 76 5.518 3.221 46.465 1.00 42.63 C ATOM 992 CG LYS A 76 5.866 2.802 47.887 1.00 44.98 C ATOM 993 CD LYS A 76 5.669 1.312 48.108 1.00 46.63 C ATOM 994 CE LYS A 76 5.970 0.929 49.549 1.00 47.97 C ATOM 995 NZ LYS A 76 5.755 -0.522 49.790 1.00 48.34 N ATOM 996 HA LYS A 76 5.411 4.961 45.188 1.00 0.00 H ATOM 997 HB2 LYS A 76 4.475 2.967 46.275 1.00 0.00 H ATOM 998 HB3 LYS A 76 6.156 2.668 45.776 1.00 0.00 H ATOM 999 HG2 LYS A 76 6.909 3.052 48.082 1.00 0.00 H ATOM 1000 HG3 LYS A 76 5.227 3.348 48.581 1.00 0.00 H ATOM 1001 HD2 LYS A 76 4.636 1.051 47.878 1.00 0.00 H ATOM 1002 HD3 LYS A 76 6.338 0.762 47.446 1.00 0.00 H ATOM 1003 HE2 LYS A 76 5.316 1.498 50.210 1.00 0.00 H ATOM 1004 HE3 LYS A 76 7.009 1.174 49.770 1.00 0.00 H ATOM 1005 HZ1 LYS A 76 4.764 -0.763 49.587 1.00 0.00 H ATOM 1006 HZ2 LYS A 76 6.381 -1.072 49.167 1.00 0.00 H ATOM 1007 HZ3 LYS A 76 5.971 -0.743 50.783 1.00 0.00 H ATOM 1008 H LYS A 76 7.517 5.124 47.324 1.00 0.00 H ATOM 1009 N ARG A 77 3.530 5.352 47.030 1.00 40.30 N ATOM 1010 CA ARG A 77 2.593 6.029 47.909 1.00 41.22 C ATOM 1011 C ARG A 77 1.663 4.975 48.494 1.00 41.21 C ATOM 1012 O ARG A 77 0.960 4.277 47.763 1.00 40.52 O ATOM 1013 CB ARG A 77 1.799 7.082 47.131 1.00 42.46 C ATOM 1014 CG ARG A 77 0.859 7.918 47.991 1.00 43.77 C ATOM 1015 CD ARG A 77 0.282 9.082 47.198 1.00 44.06 C ATOM 1016 NE ARG A 77 1.287 10.089 46.868 1.00 40.31 N ATOM 1017 CZ ARG A 77 1.745 11.002 47.722 1.00 38.59 C ATOM 1018 NH1 ARG A 77 1.287 11.045 48.963 1.00 36.94 N ATOM 1019 NH2 ARG A 77 2.667 11.872 47.333 1.00 35.83 N ATOM 1020 HA ARG A 77 3.124 6.545 48.709 1.00 0.00 H ATOM 1021 HB2 ARG A 77 2.507 7.754 46.645 1.00 0.00 H ATOM 1022 HB3 ARG A 77 1.205 6.571 46.373 1.00 0.00 H ATOM 1023 HG2 ARG A 77 0.043 7.287 48.344 1.00 0.00 H ATOM 1024 HG3 ARG A 77 1.411 8.308 48.846 1.00 0.00 H ATOM 1025 HD2 ARG A 77 -0.503 9.553 47.789 1.00 0.00 H ATOM 1026 HD3 ARG A 77 -0.144 8.697 46.272 1.00 0.00 H ATOM 1027 HE ARG A 77 1.671 10.093 45.901 1.00 0.00 H ATOM 1028 HH12 ARG A 77 1.648 11.760 49.626 1.00 0.00 H ATOM 1029 HH11 ARG A 77 0.566 10.364 49.275 1.00 0.00 H ATOM 1030 HH22 ARG A 77 3.024 12.585 48.001 1.00 0.00 H ATOM 1031 HH21 ARG A 77 3.033 11.842 46.360 1.00 0.00 H ATOM 1032 H ARG A 77 3.167 4.739 46.273 1.00 0.00 H ATOM 1033 N VAL A 78 1.688 4.847 49.816 1.00 41.37 N ATOM 1034 CA VAL A 78 0.856 3.878 50.519 1.00 41.97 C ATOM 1035 C VAL A 78 -0.022 4.602 51.532 1.00 42.91 C ATOM 1036 O VAL A 78 0.479 5.288 52.422 1.00 43.26 O ATOM 1037 CB VAL A 78 1.726 2.832 51.258 1.00 41.75 C ATOM 1038 CG1 VAL A 78 0.838 1.826 51.984 1.00 41.82 C ATOM 1039 CG2 VAL A 78 2.631 2.121 50.266 1.00 42.02 C ATOM 1040 HA VAL A 78 0.237 3.362 49.785 1.00 0.00 H ATOM 1041 HB VAL A 78 2.345 3.342 51.996 1.00 0.00 H ATOM 1042 HG11 VAL A 78 0.216 2.350 52.710 1.00 0.00 H ATOM 1043 HG12 VAL A 78 0.203 1.315 51.260 1.00 0.00 H ATOM 1044 HG13 VAL A 78 1.463 1.097 52.499 1.00 0.00 H ATOM 1045 HG21 VAL A 78 2.021 1.618 49.516 1.00 0.00 H ATOM 1046 HG22 VAL A 78 3.279 2.850 49.780 1.00 0.00 H ATOM 1047 HG23 VAL A 78 3.240 1.387 50.793 1.00 0.00 H ATOM 1048 H VAL A 78 2.323 5.459 50.368 1.00 0.00 H ATOM 1049 N ASN A 79 -1.334 4.450 51.390 1.00 42.79 N ATOM 1050 CA ASN A 79 -2.279 5.098 52.292 1.00 42.53 C ATOM 1051 C ASN A 79 -2.196 6.619 52.194 1.00 40.20 C ATOM 1052 O ASN A 79 -2.343 7.329 53.191 1.00 38.96 O ATOM 1053 CB ASN A 79 -2.020 4.649 53.730 1.00 44.37 C ATOM 1054 CG ASN A 79 -2.317 3.179 53.941 1.00 47.21 C ATOM 1055 OD1 ASN A 79 -1.982 2.610 54.978 1.00 49.17 O ATOM 1056 ND2 ASN A 79 -2.957 2.556 52.957 1.00 47.34 N ATOM 1057 HA ASN A 79 -3.284 4.800 51.994 1.00 0.00 H ATOM 1058 HB2 ASN A 79 -0.973 4.832 53.971 1.00 0.00 H ATOM 1059 HB3 ASN A 79 -2.653 5.233 54.398 1.00 0.00 H ATOM 1060 HD22 ASN A 79 -3.221 3.077 52.097 1.00 0.00 H ATOM 1061 HD21 ASN A 79 -3.194 1.547 53.047 1.00 0.00 H ATOM 1062 H ASN A 79 -1.696 3.855 50.618 1.00 0.00 H ATOM 1063 N GLY A 80 -1.956 7.110 50.983 1.00 38.52 N ATOM 1064 CA GLY A 80 -1.876 8.542 50.762 1.00 37.05 C ATOM 1065 C GLY A 80 -0.588 9.214 51.197 1.00 37.40 C ATOM 1066 O GLY A 80 -0.481 10.435 51.123 1.00 34.55 O ATOM 1067 HA3 GLY A 80 -2.696 9.010 51.307 1.00 0.00 H ATOM 1068 HA2 GLY A 80 -2.002 8.722 49.694 1.00 0.00 H ATOM 1069 H GLY A 80 -1.824 6.459 50.183 1.00 0.00 H ATOM 1070 N ALA A 81 0.394 8.437 51.646 1.00 37.49 N ATOM 1071 CA ALA A 81 1.664 9.013 52.088 1.00 36.53 C ATOM 1072 C ALA A 81 2.852 8.481 51.294 1.00 36.16 C ATOM 1073 O ALA A 81 2.838 7.344 50.823 1.00 36.31 O ATOM 1074 CB ALA A 81 1.869 8.745 53.571 1.00 36.75 C ATOM 1075 HA ALA A 81 1.610 10.087 51.910 1.00 0.00 H ATOM 1076 HB1 ALA A 81 1.054 9.196 54.137 1.00 0.00 H ATOM 1077 HB2 ALA A 81 1.882 7.669 53.746 1.00 0.00 H ATOM 1078 HB3 ALA A 81 2.817 9.178 53.889 1.00 0.00 H ATOM 1079 H ALA A 81 0.257 7.407 51.683 1.00 0.00 H ATOM 1080 N ILE A 82 3.881 9.313 51.155 1.00 31.84 N ATOM 1081 CA ILE A 82 5.089 8.948 50.425 1.00 32.02 C ATOM 1082 C ILE A 82 5.880 7.884 51.184 1.00 31.06 C ATOM 1083 O ILE A 82 6.108 8.016 52.383 1.00 28.39 O ATOM 1084 CB ILE A 82 5.995 10.180 50.219 1.00 32.70 C ATOM 1085 CG1 ILE A 82 5.289 11.204 49.329 1.00 32.63 C ATOM 1086 CG2 ILE A 82 7.319 9.760 49.602 1.00 31.17 C ATOM 1087 CD1 ILE A 82 6.037 12.520 49.228 1.00 32.86 C ATOM 1088 HA ILE A 82 4.780 8.553 49.457 1.00 0.00 H ATOM 1089 HB ILE A 82 6.196 10.639 51.187 1.00 0.00 H ATOM 1090 HG12 ILE A 82 5.189 10.784 48.328 1.00 0.00 H ATOM 1091 HG13 ILE A 82 4.299 11.398 49.741 1.00 0.00 H ATOM 1092 HD11 ILE A 82 6.136 12.957 50.221 1.00 0.00 H ATOM 1093 HD12 ILE A 82 7.027 12.343 48.807 1.00 0.00 H ATOM 1094 HD13 ILE A 82 5.484 13.202 48.583 1.00 0.00 H ATOM 1095 HG21 ILE A 82 7.820 9.055 50.265 1.00 0.00 H ATOM 1096 HG22 ILE A 82 7.135 9.286 48.638 1.00 0.00 H ATOM 1097 HG23 ILE A 82 7.948 10.639 49.462 1.00 0.00 H ATOM 1098 H ILE A 82 3.821 10.259 51.583 1.00 0.00 H ATOM 1099 N VAL A 83 6.301 6.837 50.480 1.00 32.06 N ATOM 1100 CA VAL A 83 7.071 5.760 51.097 1.00 34.42 C ATOM 1101 C VAL A 83 8.344 5.454 50.317 1.00 35.38 C ATOM 1102 O VAL A 83 8.292 4.966 49.186 1.00 37.16 O ATOM 1103 CB VAL A 83 6.247 4.459 51.199 1.00 35.75 C ATOM 1104 CG1 VAL A 83 7.078 3.369 51.860 1.00 34.72 C ATOM 1105 CG2 VAL A 83 4.982 4.704 51.994 1.00 34.60 C ATOM 1106 HA VAL A 83 7.331 6.112 52.095 1.00 0.00 H ATOM 1107 HB VAL A 83 5.972 4.135 50.195 1.00 0.00 H ATOM 1108 HG11 VAL A 83 7.971 3.183 51.264 1.00 0.00 H ATOM 1109 HG12 VAL A 83 7.368 3.691 52.860 1.00 0.00 H ATOM 1110 HG13 VAL A 83 6.488 2.455 51.928 1.00 0.00 H ATOM 1111 HG21 VAL A 83 5.244 5.041 52.997 1.00 0.00 H ATOM 1112 HG22 VAL A 83 4.384 5.468 51.497 1.00 0.00 H ATOM 1113 HG23 VAL A 83 4.410 3.778 52.058 1.00 0.00 H ATOM 1114 H VAL A 83 6.077 6.784 49.466 1.00 0.00 H ATOM 1115 N CYS A 84 9.488 5.740 50.929 1.00 36.35 N ATOM 1116 CA CYS A 84 10.773 5.487 50.298 1.00 39.17 C ATOM 1117 C CYS A 84 11.159 4.024 50.508 1.00 45.49 C ATOM 1118 O CYS A 84 11.478 3.611 51.627 1.00 46.71 O ATOM 1119 CB CYS A 84 11.844 6.406 50.895 1.00 34.16 C ATOM 1120 SG CYS A 84 11.627 8.183 50.541 1.00 28.59 S ATOM 1121 HA CYS A 84 10.698 5.691 49.230 1.00 0.00 H ATOM 1122 HB2 CYS A 84 12.812 6.099 50.499 1.00 0.00 H ATOM 1123 HB3 CYS A 84 11.837 6.274 51.977 1.00 0.00 H ATOM 1124 H CYS A 84 9.464 6.155 51.882 1.00 0.00 H ATOM 1125 N GLU A 85 11.113 3.239 49.435 1.00 51.39 N ATOM 1126 CA GLU A 85 11.462 1.826 49.525 1.00 57.54 C ATOM 1127 C GLU A 85 12.967 1.633 49.461 1.00 59.21 C ATOM 1128 O GLU A 85 13.708 2.549 49.100 1.00 59.60 O ATOM 1129 CB GLU A 85 10.791 1.016 48.412 1.00 59.61 C ATOM 1130 CG GLU A 85 11.059 1.509 47.003 1.00 62.01 C ATOM 1131 CD GLU A 85 9.912 2.331 46.463 1.00 63.07 C ATOM 1132 OE1 GLU A 85 9.982 2.758 45.292 1.00 63.63 O ATOM 1133 OE2 GLU A 85 8.937 2.545 47.214 1.00 63.21 O ATOM 1134 HA GLU A 85 11.099 1.464 50.487 1.00 0.00 H ATOM 1135 HB2 GLU A 85 11.145 -0.012 48.483 1.00 0.00 H ATOM 1136 HB3 GLU A 85 9.714 1.041 48.579 1.00 0.00 H ATOM 1137 HG2 GLU A 85 11.960 2.123 47.010 1.00 0.00 H ATOM 1138 HG3 GLU A 85 11.213 0.648 46.352 1.00 0.00 H ATOM 1139 H GLU A 85 10.824 3.639 48.519 1.00 0.00 H ATOM 1140 N LYS A 86 13.413 0.430 49.805 1.00 61.02 N ATOM 1141 CA LYS A 86 14.834 0.122 49.814 1.00 62.07 C ATOM 1142 C LYS A 86 15.497 -0.034 48.453 1.00 62.07 C ATOM 1143 O LYS A 86 15.062 -0.812 47.601 1.00 64.06 O ATOM 1144 CB LYS A 86 15.101 -1.133 50.649 1.00 63.02 C ATOM 1145 CG LYS A 86 15.011 -0.903 52.147 1.00 62.98 C ATOM 1146 CD LYS A 86 16.009 0.148 52.606 1.00 62.74 C ATOM 1147 CE LYS A 86 15.852 0.428 54.090 1.00 62.69 C ATOM 1148 NZ LYS A 86 16.766 1.506 54.553 1.00 62.24 N ATOM 1149 HA LYS A 86 15.291 1.007 50.256 1.00 0.00 H ATOM 1150 HB2 LYS A 86 14.369 -1.892 50.373 1.00 0.00 H ATOM 1151 HB3 LYS A 86 16.103 -1.494 50.416 1.00 0.00 H ATOM 1152 HG2 LYS A 86 14.004 -0.569 52.395 1.00 0.00 H ATOM 1153 HG3 LYS A 86 15.219 -1.840 52.663 1.00 0.00 H ATOM 1154 HD2 LYS A 86 17.020 -0.211 52.415 1.00 0.00 H ATOM 1155 HD3 LYS A 86 15.840 1.069 52.048 1.00 0.00 H ATOM 1156 HE2 LYS A 86 16.072 -0.483 54.646 1.00 0.00 H ATOM 1157 HE3 LYS A 86 14.823 0.731 54.284 1.00 0.00 H ATOM 1158 HZ1 LYS A 86 17.751 1.223 54.378 1.00 0.00 H ATOM 1159 HZ2 LYS A 86 16.558 2.382 54.033 1.00 0.00 H ATOM 1160 HZ3 LYS A 86 16.625 1.664 55.571 1.00 0.00 H ATOM 1161 H LYS A 86 12.731 -0.308 50.074 1.00 0.00 H ATOM 1162 N GLY A 88 16.559 0.738 48.273 1.00 53.47 N ATOM 1163 CA GLY A 88 17.351 0.706 47.062 1.00 49.90 C ATOM 1164 C GLY A 88 18.765 0.756 47.596 1.00 47.37 C ATOM 1165 O GLY A 88 19.110 -0.016 48.488 1.00 47.52 O ATOM 1166 HA3 GLY A 88 17.138 1.567 46.428 1.00 0.00 H ATOM 1167 HA2 GLY A 88 17.174 -0.210 46.499 1.00 0.00 H ATOM 1168 H GLY A 88 16.834 1.393 49.032 1.00 0.00 H ATOM 1169 N THR A 89 19.587 1.653 47.069 1.00 43.80 N ATOM 1170 CA THR A 89 20.945 1.779 47.574 1.00 41.93 C ATOM 1171 C THR A 89 20.810 2.687 48.785 1.00 39.45 C ATOM 1172 O THR A 89 19.773 3.328 48.960 1.00 36.31 O ATOM 1173 CB THR A 89 21.882 2.438 46.546 1.00 42.82 C ATOM 1174 OG1 THR A 89 21.388 3.740 46.211 1.00 40.98 O ATOM 1175 CG2 THR A 89 21.961 1.591 45.287 1.00 43.98 C ATOM 1176 HA THR A 89 21.375 0.803 47.801 1.00 0.00 H ATOM 1177 HB THR A 89 22.878 2.523 46.982 1.00 0.00 H ATOM 1178 HG1 THR A 89 21.993 4.161 45.550 1.00 0.00 H ATOM 1179 HG23 THR A 89 22.337 0.600 45.540 1.00 0.00 H ATOM 1180 HG21 THR A 89 20.968 1.503 44.847 1.00 0.00 H ATOM 1181 HG22 THR A 89 22.635 2.065 44.573 1.00 0.00 H ATOM 1182 H THR A 89 19.261 2.266 46.295 1.00 0.00 H ATOM 1183 N SER A 90 21.837 2.735 49.625 1.00 37.50 N ATOM 1184 CA SER A 90 21.788 3.585 50.807 1.00 35.58 C ATOM 1185 C SER A 90 21.535 5.022 50.368 1.00 33.25 C ATOM 1186 O SER A 90 20.742 5.740 50.978 1.00 31.84 O ATOM 1187 CB SER A 90 23.106 3.501 51.578 1.00 36.59 C ATOM 1188 OG SER A 90 23.091 4.365 52.701 1.00 35.31 O ATOM 1189 HA SER A 90 20.985 3.249 51.463 1.00 0.00 H ATOM 1190 HB2 SER A 90 23.925 3.787 50.918 1.00 0.00 H ATOM 1191 HB3 SER A 90 23.256 2.476 51.918 1.00 0.00 H ATOM 1192 HG SER A 90 22.351 4.106 53.305 1.00 0.00 H ATOM 1193 H SER A 90 22.684 2.161 49.438 1.00 0.00 H ATOM 1194 N CYS A 91 22.211 5.429 49.299 1.00 32.45 N ATOM 1195 CA CYS A 91 22.068 6.778 48.769 1.00 31.25 C ATOM 1196 C CYS A 91 20.658 7.070 48.274 1.00 30.49 C ATOM 1197 O CYS A 91 20.075 8.099 48.610 1.00 26.48 O ATOM 1198 CB CYS A 91 23.064 7.009 47.632 1.00 32.16 C ATOM 1199 SG CYS A 91 24.753 7.426 48.171 1.00 32.53 S ATOM 1200 HA CYS A 91 22.274 7.460 49.593 1.00 0.00 H ATOM 1201 HB2 CYS A 91 22.692 7.828 47.016 1.00 0.00 H ATOM 1202 HB3 CYS A 91 23.113 6.099 47.034 1.00 0.00 H ATOM 1203 H CYS A 91 22.860 4.766 48.828 1.00 0.00 H ATOM 1204 N GLU A 92 20.116 6.168 47.465 1.00 29.34 N ATOM 1205 CA GLU A 92 18.771 6.346 46.938 1.00 31.23 C ATOM 1206 C GLU A 92 17.764 6.526 48.068 1.00 30.88 C ATOM 1207 O GLU A 92 16.869 7.370 47.987 1.00 30.30 O ATOM 1208 CB GLU A 92 18.382 5.142 46.081 1.00 33.70 C ATOM 1209 CG GLU A 92 18.993 5.148 44.687 1.00 35.64 C ATOM 1210 CD GLU A 92 18.931 3.786 44.022 1.00 37.97 C ATOM 1211 OE1 GLU A 92 17.930 3.067 44.233 1.00 38.89 O ATOM 1212 OE2 GLU A 92 19.876 3.437 43.283 1.00 38.39 O ATOM 1213 HA GLU A 92 18.761 7.245 46.322 1.00 0.00 H ATOM 1214 HB2 GLU A 92 18.708 4.237 46.594 1.00 0.00 H ATOM 1215 HB3 GLU A 92 17.297 5.130 45.979 1.00 0.00 H ATOM 1216 HG2 GLU A 92 18.450 5.864 44.070 1.00 0.00 H ATOM 1217 HG3 GLU A 92 20.037 5.453 44.763 1.00 0.00 H ATOM 1218 H GLU A 92 20.661 5.321 47.204 1.00 0.00 H ATOM 1219 N ASN A 93 17.921 5.741 49.128 1.00 28.42 N ATOM 1220 CA ASN A 93 17.012 5.819 50.264 1.00 28.24 C ATOM 1221 C ASN A 93 17.143 7.143 51.011 1.00 26.19 C ATOM 1222 O ASN A 93 16.142 7.766 51.358 1.00 25.63 O ATOM 1223 CB ASN A 93 17.266 4.658 51.232 1.00 33.74 C ATOM 1224 CG ASN A 93 17.110 3.300 50.571 1.00 38.83 C ATOM 1225 OD1 ASN A 93 16.113 3.033 49.901 1.00 42.18 O ATOM 1226 ND2 ASN A 93 18.094 2.431 50.763 1.00 42.12 N ATOM 1227 HA ASN A 93 15.998 5.753 49.869 1.00 0.00 H ATOM 1228 HB2 ASN A 93 18.281 4.743 51.620 1.00 0.00 H ATOM 1229 HB3 ASN A 93 16.556 4.729 52.056 1.00 0.00 H ATOM 1230 HD22 ASN A 93 18.919 2.698 51.337 1.00 0.00 H ATOM 1231 HD21 ASN A 93 18.040 1.483 50.340 1.00 0.00 H ATOM 1232 H ASN A 93 18.706 5.059 49.147 1.00 0.00 H ATOM 1233 N ARG A 94 18.375 7.575 51.255 1.00 24.27 N ATOM 1234 CA ARG A 94 18.602 8.823 51.972 1.00 22.92 C ATOM 1235 C ARG A 94 18.164 10.040 51.161 1.00 23.01 C ATOM 1236 O ARG A 94 17.553 10.967 51.703 1.00 20.19 O ATOM 1237 CB ARG A 94 20.076 8.939 52.367 1.00 25.07 C ATOM 1238 CG ARG A 94 20.467 8.013 53.518 1.00 26.27 C ATOM 1239 CD ARG A 94 21.958 8.078 53.792 1.00 28.14 C ATOM 1240 NE ARG A 94 22.719 7.299 52.820 1.00 29.85 N ATOM 1241 CZ ARG A 94 23.982 7.543 52.490 1.00 31.35 C ATOM 1242 NH1 ARG A 94 24.593 6.774 51.599 1.00 30.55 N ATOM 1243 NH2 ARG A 94 24.626 8.567 53.034 1.00 30.16 N ATOM 1244 HA ARG A 94 17.989 8.804 52.873 1.00 0.00 H ATOM 1245 HB2 ARG A 94 20.688 8.691 51.500 1.00 0.00 H ATOM 1246 HB3 ARG A 94 20.274 9.968 52.667 1.00 0.00 H ATOM 1247 HG2 ARG A 94 19.927 8.313 54.416 1.00 0.00 H ATOM 1248 HG3 ARG A 94 20.197 6.989 53.259 1.00 0.00 H ATOM 1249 HD2 ARG A 94 22.152 7.685 54.790 1.00 0.00 H ATOM 1250 HD3 ARG A 94 22.282 9.118 53.743 1.00 0.00 H ATOM 1251 HE ARG A 94 22.241 6.501 52.356 1.00 0.00 H ATOM 1252 HH12 ARG A 94 25.582 6.964 51.340 1.00 0.00 H ATOM 1253 HH11 ARG A 94 24.083 5.981 51.160 1.00 0.00 H ATOM 1254 HH22 ARG A 94 25.615 8.756 52.774 1.00 0.00 H ATOM 1255 HH21 ARG A 94 24.142 9.180 53.720 1.00 0.00 H ATOM 1256 H ARG A 94 19.189 7.015 50.930 1.00 0.00 H ATOM 1257 N ILE A 95 18.473 10.038 49.865 1.00 22.66 N ATOM 1258 CA ILE A 95 18.083 11.148 48.997 1.00 23.18 C ATOM 1259 C ILE A 95 16.566 11.244 49.002 1.00 23.12 C ATOM 1260 O ILE A 95 15.998 12.327 49.137 1.00 24.28 O ATOM 1261 CB ILE A 95 18.563 10.928 47.541 1.00 24.45 C ATOM 1262 CG1 ILE A 95 20.087 10.977 47.489 1.00 25.22 C ATOM 1263 CG2 ILE A 95 17.980 12.007 46.619 1.00 23.90 C ATOM 1264 CD1 ILE A 95 20.652 10.588 46.133 1.00 27.30 C ATOM 1265 HA ILE A 95 18.543 12.063 49.371 1.00 0.00 H ATOM 1266 HB ILE A 95 18.219 9.951 47.201 1.00 0.00 H ATOM 1267 HG12 ILE A 95 20.409 11.992 47.721 1.00 0.00 H ATOM 1268 HG13 ILE A 95 20.482 10.291 48.239 1.00 0.00 H ATOM 1269 HD11 ILE A 95 20.346 9.570 45.892 1.00 0.00 H ATOM 1270 HD12 ILE A 95 20.274 11.272 45.373 1.00 0.00 H ATOM 1271 HD13 ILE A 95 21.740 10.644 46.165 1.00 0.00 H ATOM 1272 HG21 ILE A 95 16.891 11.957 46.647 1.00 0.00 H ATOM 1273 HG22 ILE A 95 18.309 12.989 46.958 1.00 0.00 H ATOM 1274 HG23 ILE A 95 18.327 11.838 45.600 1.00 0.00 H ATOM 1275 H ILE A 95 18.999 9.235 49.465 1.00 0.00 H ATOM 1276 N CYS A 96 15.911 10.098 48.857 1.00 23.21 N ATOM 1277 CA CYS A 96 14.456 10.047 48.854 1.00 22.51 C ATOM 1278 C CYS A 96 13.899 10.654 50.138 1.00 23.44 C ATOM 1279 O CYS A 96 12.964 11.453 50.099 1.00 22.17 O ATOM 1280 CB CYS A 96 13.993 8.596 48.708 1.00 26.22 C ATOM 1281 SG CYS A 96 12.195 8.345 48.598 1.00 27.03 S ATOM 1282 HA CYS A 96 14.082 10.628 48.011 1.00 0.00 H ATOM 1283 HB2 CYS A 96 14.356 8.040 49.573 1.00 0.00 H ATOM 1284 HB3 CYS A 96 14.443 8.191 47.802 1.00 0.00 H ATOM 1285 H CYS A 96 16.450 9.216 48.743 1.00 0.00 H ATOM 1286 N GLU A 97 14.486 10.293 51.276 1.00 20.76 N ATOM 1287 CA GLU A 97 14.017 10.821 52.550 1.00 19.40 C ATOM 1288 C GLU A 97 14.205 12.335 52.664 1.00 18.74 C ATOM 1289 O GLU A 97 13.349 13.023 53.217 1.00 20.52 O ATOM 1290 CB GLU A 97 14.714 10.106 53.707 1.00 21.40 C ATOM 1291 CG GLU A 97 14.251 8.672 53.911 1.00 21.89 C ATOM 1292 CD GLU A 97 12.776 8.546 54.283 1.00 25.69 C ATOM 1293 OE1 GLU A 97 12.168 9.537 54.750 1.00 21.17 O ATOM 1294 OE2 GLU A 97 12.222 7.433 54.125 1.00 26.58 O ATOM 1295 HA GLU A 97 12.945 10.631 52.601 1.00 0.00 H ATOM 1296 HB2 GLU A 97 15.786 10.096 53.510 1.00 0.00 H ATOM 1297 HB3 GLU A 97 14.520 10.664 54.623 1.00 0.00 H ATOM 1298 HG2 GLU A 97 14.420 8.121 52.986 1.00 0.00 H ATOM 1299 HG3 GLU A 97 14.846 8.229 54.710 1.00 0.00 H ATOM 1300 H GLU A 97 15.286 9.629 51.256 1.00 0.00 H ATOM 1301 N CYS A 98 15.315 12.862 52.156 1.00 19.41 N ATOM 1302 CA CYS A 98 15.521 14.311 52.208 1.00 18.41 C ATOM 1303 C CYS A 98 14.446 15.001 51.380 1.00 20.09 C ATOM 1304 O CYS A 98 13.877 16.007 51.794 1.00 18.27 O ATOM 1305 CB CYS A 98 16.873 14.705 51.632 1.00 19.49 C ATOM 1306 SG CYS A 98 18.332 14.287 52.627 1.00 21.43 S ATOM 1307 HA CYS A 98 15.475 14.614 53.254 1.00 0.00 H ATOM 1308 HB2 CYS A 98 16.869 15.785 51.487 1.00 0.00 H ATOM 1309 HB3 CYS A 98 16.978 14.211 50.666 1.00 0.00 H ATOM 1310 H CYS A 98 16.034 12.248 51.723 1.00 0.00 H ATOM 1311 N ASP A 99 14.187 14.462 50.194 1.00 20.50 N ATOM 1312 CA ASP A 99 13.177 15.038 49.320 1.00 20.57 C ATOM 1313 C ASP A 99 11.790 14.927 49.933 1.00 21.50 C ATOM 1314 O ASP A 99 11.013 15.882 49.896 1.00 21.38 O ATOM 1315 CB ASP A 99 13.185 14.345 47.951 1.00 20.30 C ATOM 1316 CG ASP A 99 14.435 14.647 47.145 1.00 22.68 C ATOM 1317 OD1 ASP A 99 15.179 15.586 47.503 1.00 21.67 O ATOM 1318 OD2 ASP A 99 14.671 13.948 46.135 1.00 21.94 O ATOM 1319 HA ASP A 99 13.421 16.093 49.192 1.00 0.00 H ATOM 1320 HB2 ASP A 99 13.122 13.268 48.105 1.00 0.00 H ATOM 1321 HB3 ASP A 99 12.316 14.681 47.385 1.00 0.00 H ATOM 1322 H ASP A 99 14.712 13.619 49.887 1.00 0.00 H ATOM 1323 N LYS A 100 11.479 13.759 50.490 1.00 20.59 N ATOM 1324 CA LYS A 100 10.174 13.532 51.110 1.00 20.37 C ATOM 1325 C LYS A 100 9.913 14.559 52.204 1.00 20.67 C ATOM 1326 O LYS A 100 8.841 15.176 52.252 1.00 21.33 O ATOM 1327 CB LYS A 100 10.111 12.129 51.715 1.00 21.04 C ATOM 1328 CG LYS A 100 8.895 11.895 52.587 1.00 23.60 C ATOM 1329 CD LYS A 100 8.901 10.496 53.184 1.00 23.71 C ATOM 1330 CE LYS A 100 7.730 10.309 54.134 1.00 24.74 C ATOM 1331 NZ LYS A 100 7.691 8.939 54.718 1.00 21.27 N ATOM 1332 HA LYS A 100 9.412 13.631 50.337 1.00 0.00 H ATOM 1333 HB2 LYS A 100 10.096 11.404 50.901 1.00 0.00 H ATOM 1334 HB3 LYS A 100 11.004 11.975 52.321 1.00 0.00 H ATOM 1335 HG2 LYS A 100 8.892 12.626 53.396 1.00 0.00 H ATOM 1336 HG3 LYS A 100 7.996 12.019 51.983 1.00 0.00 H ATOM 1337 HD2 LYS A 100 8.829 9.764 52.380 1.00 0.00 H ATOM 1338 HD3 LYS A 100 9.832 10.344 53.730 1.00 0.00 H ATOM 1339 HE2 LYS A 100 6.803 10.484 53.588 1.00 0.00 H ATOM 1340 HE3 LYS A 100 7.816 11.034 54.944 1.00 0.00 H ATOM 1341 HZ1 LYS A 100 7.602 8.240 53.953 1.00 0.00 H ATOM 1342 HZ2 LYS A 100 8.568 8.764 55.248 1.00 0.00 H ATOM 1343 HZ3 LYS A 100 6.876 8.860 55.359 1.00 0.00 H ATOM 1344 H LYS A 100 12.180 12.990 50.484 1.00 0.00 H ATOM 1345 N ALA A 101 10.896 14.737 53.081 1.00 20.54 N ATOM 1346 CA ALA A 101 10.769 15.686 54.182 1.00 19.72 C ATOM 1347 C ALA A 101 10.514 17.104 53.689 1.00 21.24 C ATOM 1348 O ALA A 101 9.706 17.829 54.267 1.00 18.51 O ATOM 1349 CB ALA A 101 12.018 15.651 55.055 1.00 21.69 C ATOM 1350 HA ALA A 101 9.905 15.384 54.773 1.00 0.00 H ATOM 1351 HB1 ALA A 101 12.148 14.648 55.461 1.00 0.00 H ATOM 1352 HB2 ALA A 101 12.888 15.916 54.454 1.00 0.00 H ATOM 1353 HB3 ALA A 101 11.909 16.364 55.872 1.00 0.00 H ATOM 1354 H ALA A 101 11.774 14.188 52.980 1.00 0.00 H ATOM 1355 N ALA A 102 11.196 17.502 52.622 1.00 21.09 N ATOM 1356 CA ALA A 102 11.019 18.848 52.087 1.00 21.43 C ATOM 1357 C ALA A 102 9.670 19.038 51.398 1.00 20.60 C ATOM 1358 O ALA A 102 9.019 20.068 51.575 1.00 20.38 O ATOM 1359 CB ALA A 102 12.154 19.189 51.124 1.00 20.87 C ATOM 1360 HA ALA A 102 11.042 19.531 52.937 1.00 0.00 H ATOM 1361 HB1 ALA A 102 13.106 19.138 51.653 1.00 0.00 H ATOM 1362 HB2 ALA A 102 12.156 18.475 50.300 1.00 0.00 H ATOM 1363 HB3 ALA A 102 12.007 20.196 50.734 1.00 0.00 H ATOM 1364 H ALA A 102 11.862 16.849 52.163 1.00 0.00 H ATOM 1365 N ALA A 103 9.248 18.049 50.617 1.00 20.51 N ATOM 1366 CA ALA A 103 7.972 18.138 49.918 1.00 20.55 C ATOM 1367 C ALA A 103 6.843 18.309 50.922 1.00 21.85 C ATOM 1368 O ALA A 103 5.938 19.119 50.733 1.00 20.01 O ATOM 1369 CB ALA A 103 7.742 16.885 49.083 1.00 21.79 C ATOM 1370 HA ALA A 103 7.992 19.003 49.255 1.00 0.00 H ATOM 1371 HB1 ALA A 103 8.544 16.785 48.352 1.00 0.00 H ATOM 1372 HB2 ALA A 103 7.732 16.012 49.735 1.00 0.00 H ATOM 1373 HB3 ALA A 103 6.786 16.965 48.566 1.00 0.00 H ATOM 1374 H ALA A 103 9.837 17.199 50.503 1.00 0.00 H ATOM 1375 N ILE A 104 6.903 17.541 52.001 1.00 20.78 N ATOM 1376 CA ILE A 104 5.882 17.624 53.022 1.00 21.72 C ATOM 1377 C ILE A 104 5.987 18.968 53.731 1.00 21.28 C ATOM 1378 O ILE A 104 4.975 19.586 54.059 1.00 23.62 O ATOM 1379 CB ILE A 104 6.017 16.447 54.012 1.00 22.55 C ATOM 1380 CG1 ILE A 104 5.573 15.158 53.311 1.00 23.42 C ATOM 1381 CG2 ILE A 104 5.199 16.709 55.257 1.00 23.26 C ATOM 1382 CD1 ILE A 104 5.776 13.879 54.117 1.00 24.54 C ATOM 1383 HA ILE A 104 4.896 17.552 52.564 1.00 0.00 H ATOM 1384 HB ILE A 104 7.056 16.340 54.324 1.00 0.00 H ATOM 1385 HG12 ILE A 104 4.511 15.247 53.081 1.00 0.00 H ATOM 1386 HG13 ILE A 104 6.138 15.066 52.384 1.00 0.00 H ATOM 1387 HD11 ILE A 104 6.835 13.760 54.347 1.00 0.00 H ATOM 1388 HD12 ILE A 104 5.207 13.941 55.044 1.00 0.00 H ATOM 1389 HD13 ILE A 104 5.431 13.025 53.534 1.00 0.00 H ATOM 1390 HG21 ILE A 104 5.553 17.621 55.738 1.00 0.00 H ATOM 1391 HG22 ILE A 104 4.150 16.825 54.983 1.00 0.00 H ATOM 1392 HG23 ILE A 104 5.306 15.869 55.944 1.00 0.00 H ATOM 1393 H ILE A 104 7.692 16.873 52.114 1.00 0.00 H ATOM 1394 N CYS A 105 7.212 19.432 53.954 1.00 19.61 N ATOM 1395 CA CYS A 105 7.417 20.725 54.601 1.00 17.87 C ATOM 1396 C CYS A 105 6.747 21.816 53.767 1.00 19.87 C ATOM 1397 O CYS A 105 6.081 22.688 54.308 1.00 20.33 O ATOM 1398 CB CYS A 105 8.907 21.012 54.717 1.00 20.33 C ATOM 1399 SG CYS A 105 9.371 22.494 55.665 1.00 22.04 S ATOM 1400 HA CYS A 105 6.979 20.706 55.599 1.00 0.00 H ATOM 1401 HB2 CYS A 105 9.303 21.125 53.708 1.00 0.00 H ATOM 1402 HB3 CYS A 105 9.375 20.152 55.195 1.00 0.00 H ATOM 1403 H CYS A 105 8.036 18.867 53.664 1.00 0.00 H ATOM 1404 N PHE A 106 6.924 21.762 52.447 1.00 19.51 N ATOM 1405 CA PHE A 106 6.304 22.751 51.563 1.00 21.18 C ATOM 1406 C PHE A 106 4.788 22.719 51.756 1.00 20.81 C ATOM 1407 O PHE A 106 4.145 23.759 51.908 1.00 22.06 O ATOM 1408 CB PHE A 106 6.599 22.458 50.079 1.00 19.41 C ATOM 1409 CG PHE A 106 8.033 22.677 49.668 1.00 22.56 C ATOM 1410 CD1 PHE A 106 8.792 23.700 50.226 1.00 21.84 C ATOM 1411 CD2 PHE A 106 8.610 21.879 48.679 1.00 22.93 C ATOM 1412 CE1 PHE A 106 10.107 23.931 49.809 1.00 22.89 C ATOM 1413 CE2 PHE A 106 9.921 22.100 48.252 1.00 24.58 C ATOM 1414 CZ PHE A 106 10.674 23.130 48.820 1.00 23.11 C ATOM 1415 HA PHE A 106 6.719 23.726 51.819 1.00 0.00 H ATOM 1416 HB2 PHE A 106 6.344 21.417 49.881 1.00 0.00 H ATOM 1417 HB3 PHE A 106 5.968 23.108 49.472 1.00 0.00 H ATOM 1418 HD2 PHE A 106 8.029 21.072 48.233 1.00 0.00 H ATOM 1419 HE2 PHE A 106 10.356 21.470 47.477 1.00 0.00 H ATOM 1420 HZ PHE A 106 11.698 23.306 48.492 1.00 0.00 H ATOM 1421 HE1 PHE A 106 10.688 24.737 50.257 1.00 0.00 H ATOM 1422 HD1 PHE A 106 8.356 24.331 51.000 1.00 0.00 H ATOM 1423 H PHE A 106 7.511 21.007 52.039 1.00 0.00 H ATOM 1424 N ARG A 107 4.227 21.513 51.743 1.00 23.25 N ATOM 1425 CA ARG A 107 2.790 21.311 51.905 1.00 26.45 C ATOM 1426 C ARG A 107 2.274 21.863 53.233 1.00 24.67 C ATOM 1427 O ARG A 107 1.269 22.577 53.272 1.00 25.26 O ATOM 1428 CB ARG A 107 2.462 19.811 51.797 1.00 27.64 C ATOM 1429 CG ARG A 107 0.996 19.462 52.010 1.00 33.62 C ATOM 1430 CD ARG A 107 0.691 18.012 51.644 1.00 32.40 C ATOM 1431 NE ARG A 107 1.321 17.040 52.535 1.00 32.44 N ATOM 1432 CZ ARG A 107 1.092 16.966 53.842 1.00 31.84 C ATOM 1433 NH1 ARG A 107 1.706 16.049 54.577 1.00 32.46 N ATOM 1434 NH2 ARG A 107 0.251 17.812 54.416 1.00 34.41 N ATOM 1435 HA ARG A 107 2.288 21.861 51.109 1.00 0.00 H ATOM 1436 HB2 ARG A 107 2.751 19.471 50.802 1.00 0.00 H ATOM 1437 HB3 ARG A 107 3.050 19.280 52.546 1.00 0.00 H ATOM 1438 HG2 ARG A 107 0.746 19.620 53.059 1.00 0.00 H ATOM 1439 HG3 ARG A 107 0.385 20.117 51.389 1.00 0.00 H ATOM 1440 HD2 ARG A 107 1.045 17.830 50.629 1.00 0.00 H ATOM 1441 HD3 ARG A 107 -0.389 17.866 51.682 1.00 0.00 H ATOM 1442 HE ARG A 107 1.992 16.363 52.120 1.00 0.00 H ATOM 1443 HH12 ARG A 107 1.524 15.995 55.599 1.00 0.00 H ATOM 1444 HH11 ARG A 107 2.370 15.384 54.131 1.00 0.00 H ATOM 1445 HH22 ARG A 107 0.072 17.754 55.439 1.00 0.00 H ATOM 1446 HH21 ARG A 107 -0.231 18.535 53.844 1.00 0.00 H ATOM 1447 H ARG A 107 4.836 20.680 51.612 1.00 0.00 H ATOM 1448 N GLN A 108 2.969 21.529 54.315 1.00 25.33 N ATOM 1449 CA GLN A 108 2.583 21.971 55.654 1.00 25.88 C ATOM 1450 C GLN A 108 2.580 23.483 55.808 1.00 27.85 C ATOM 1451 O GLN A 108 1.849 24.030 56.640 1.00 23.33 O ATOM 1452 CB GLN A 108 3.534 21.381 56.695 1.00 27.17 C ATOM 1453 CG GLN A 108 3.593 19.869 56.701 1.00 29.19 C ATOM 1454 CD GLN A 108 4.593 19.343 57.700 1.00 28.13 C ATOM 1455 OE1 GLN A 108 5.711 19.848 57.797 1.00 30.35 O ATOM 1456 NE2 GLN A 108 4.200 18.319 58.449 1.00 33.84 N ATOM 1457 HA GLN A 108 1.563 21.618 55.808 1.00 0.00 H ATOM 1458 HB2 GLN A 108 4.536 21.761 56.496 1.00 0.00 H ATOM 1459 HB3 GLN A 108 3.210 21.714 57.681 1.00 0.00 H ATOM 1460 HG2 GLN A 108 2.607 19.480 56.953 1.00 0.00 H ATOM 1461 HG3 GLN A 108 3.875 19.524 55.706 1.00 0.00 H ATOM 1462 HE22 GLN A 108 3.245 17.925 58.331 1.00 0.00 H ATOM 1463 HE21 GLN A 108 4.848 17.911 59.153 1.00 0.00 H ATOM 1464 H GLN A 108 3.815 20.934 54.206 1.00 0.00 H ATOM 1465 N ASN A 109 3.394 24.151 54.998 1.00 27.48 N ATOM 1466 CA ASN A 109 3.525 25.603 55.058 1.00 27.11 C ATOM 1467 C ASN A 109 2.926 26.379 53.880 1.00 28.12 C ATOM 1468 O ASN A 109 3.279 27.538 53.650 1.00 26.96 O ATOM 1469 CB ASN A 109 5.003 25.955 55.209 1.00 26.36 C ATOM 1470 CG ASN A 109 5.563 25.544 56.560 1.00 26.78 C ATOM 1471 OD1 ASN A 109 5.282 26.176 57.576 1.00 26.72 O ATOM 1472 ND2 ASN A 109 6.353 24.477 56.578 1.00 24.48 N ATOM 1473 HA ASN A 109 2.935 25.916 55.919 1.00 0.00 H ATOM 1474 HB2 ASN A 109 5.566 25.445 54.427 1.00 0.00 H ATOM 1475 HB3 ASN A 109 5.120 27.033 55.095 1.00 0.00 H ATOM 1476 HD22 ASN A 109 6.565 23.972 55.694 1.00 0.00 H ATOM 1477 HD21 ASN A 109 6.760 24.147 57.476 1.00 0.00 H ATOM 1478 H ASN A 109 3.955 23.623 54.300 1.00 0.00 H ATOM 1479 N LEU A 110 2.018 25.757 53.137 1.00 27.19 N ATOM 1480 CA LEU A 110 1.411 26.445 52.005 1.00 26.60 C ATOM 1481 C LEU A 110 0.612 27.672 52.427 1.00 27.67 C ATOM 1482 O LEU A 110 0.448 28.613 51.646 1.00 26.95 O ATOM 1483 CB LEU A 110 0.512 25.493 51.208 1.00 28.59 C ATOM 1484 CG LEU A 110 1.254 24.674 50.150 1.00 29.36 C ATOM 1485 CD1 LEU A 110 0.286 23.764 49.417 1.00 30.78 C ATOM 1486 CD2 LEU A 110 1.933 25.622 49.173 1.00 28.72 C ATOM 1487 HA LEU A 110 2.232 26.786 51.374 1.00 0.00 H ATOM 1488 HB2 LEU A 110 0.039 24.803 51.907 1.00 0.00 H ATOM 1489 HB3 LEU A 110 -0.255 26.084 50.708 1.00 0.00 H ATOM 1490 HG LEU A 110 2.007 24.052 50.633 1.00 0.00 H ATOM 1491 HD21 LEU A 110 1.180 26.247 48.693 1.00 0.00 H ATOM 1492 HD22 LEU A 110 2.640 26.252 49.712 1.00 0.00 H ATOM 1493 HD23 LEU A 110 2.463 25.044 48.417 1.00 0.00 H ATOM 1494 HD11 LEU A 110 -0.183 23.086 50.129 1.00 0.00 H ATOM 1495 HD12 LEU A 110 -0.480 24.367 48.929 1.00 0.00 H ATOM 1496 HD13 LEU A 110 0.828 23.187 48.667 1.00 0.00 H ATOM 1497 H LEU A 110 1.741 24.780 53.363 1.00 0.00 H ATOM 1498 N ASN A 111 0.133 27.683 53.666 1.00 27.21 N ATOM 1499 CA ASN A 111 -0.654 28.815 54.127 1.00 28.61 C ATOM 1500 C ASN A 111 0.146 30.109 54.263 1.00 29.20 C ATOM 1501 O ASN A 111 -0.435 31.184 54.437 1.00 30.82 O ATOM 1502 CB ASN A 111 -1.344 28.495 55.450 1.00 30.53 C ATOM 1503 CG ASN A 111 -2.597 29.326 55.658 1.00 35.29 C ATOM 1504 OD1 ASN A 111 -3.176 29.346 56.743 1.00 38.03 O ATOM 1505 ND2 ASN A 111 -3.026 30.017 54.605 1.00 35.62 N ATOM 1506 HA ASN A 111 -1.399 28.987 53.350 1.00 0.00 H ATOM 1507 HB2 ASN A 111 -1.617 27.440 55.458 1.00 0.00 H ATOM 1508 HB3 ASN A 111 -0.650 28.696 56.266 1.00 0.00 H ATOM 1509 HD22 ASN A 111 -2.505 29.971 53.706 1.00 0.00 H ATOM 1510 HD21 ASN A 111 -3.882 30.603 54.681 1.00 0.00 H ATOM 1511 H ASN A 111 0.321 26.884 54.305 1.00 0.00 H ATOM 1512 N THR A 112 1.472 30.017 54.201 1.00 28.05 N ATOM 1513 CA THR A 112 2.301 31.218 54.287 1.00 26.94 C ATOM 1514 C THR A 112 3.187 31.397 53.057 1.00 25.93 C ATOM 1515 O THR A 112 4.066 32.255 53.039 1.00 27.35 O ATOM 1516 CB THR A 112 3.189 31.261 55.570 1.00 26.34 C ATOM 1517 OG1 THR A 112 4.018 30.094 55.645 1.00 25.92 O ATOM 1518 CG2 THR A 112 2.317 31.363 56.815 1.00 27.76 C ATOM 1519 HA THR A 112 1.591 32.043 54.339 1.00 0.00 H ATOM 1520 HB THR A 112 3.829 32.142 55.516 1.00 0.00 H ATOM 1521 HG1 THR A 112 4.604 30.055 54.848 1.00 0.00 H ATOM 1522 HG23 THR A 112 1.692 32.253 56.747 1.00 0.00 H ATOM 1523 HG21 THR A 112 1.685 30.478 56.888 1.00 0.00 H ATOM 1524 HG22 THR A 112 2.953 31.431 57.698 1.00 0.00 H ATOM 1525 H THR A 112 1.921 29.085 54.091 1.00 0.00 H ATOM 1526 N TYR A 113 2.962 30.579 52.033 1.00 25.11 N ATOM 1527 CA TYR A 113 3.721 30.707 50.792 1.00 24.95 C ATOM 1528 C TYR A 113 3.373 32.095 50.254 1.00 26.58 C ATOM 1529 O TYR A 113 2.198 32.402 50.057 1.00 25.50 O ATOM 1530 CB TYR A 113 3.278 29.636 49.791 1.00 25.52 C ATOM 1531 CG TYR A 113 3.937 29.733 48.430 1.00 26.27 C ATOM 1532 CD1 TYR A 113 5.057 28.959 48.112 1.00 25.69 C ATOM 1533 CD2 TYR A 113 3.435 30.595 47.458 1.00 26.99 C ATOM 1534 CE1 TYR A 113 5.656 29.043 46.853 1.00 27.36 C ATOM 1535 CE2 TYR A 113 4.023 30.687 46.206 1.00 30.15 C ATOM 1536 CZ TYR A 113 5.132 29.911 45.908 1.00 27.21 C ATOM 1537 OH TYR A 113 5.704 30.012 44.665 1.00 27.68 O ATOM 1538 HA TYR A 113 4.792 30.582 50.953 1.00 0.00 H ATOM 1539 HB3 TYR A 113 2.200 29.723 49.654 1.00 0.00 H ATOM 1540 HB2 TYR A 113 3.511 28.659 50.213 1.00 0.00 H ATOM 1541 HD2 TYR A 113 2.564 31.209 47.686 1.00 0.00 H ATOM 1542 HE2 TYR A 113 3.615 31.367 45.459 1.00 0.00 H ATOM 1543 HE1 TYR A 113 6.527 28.432 46.616 1.00 0.00 H ATOM 1544 HD1 TYR A 113 5.469 28.280 48.858 1.00 0.00 H ATOM 1545 HH TYR A 113 6.480 29.399 44.609 1.00 0.00 H ATOM 1546 H TYR A 113 2.236 29.839 52.117 1.00 0.00 H ATOM 1547 N SER A 114 4.382 32.934 50.024 1.00 27.33 N ATOM 1548 CA SER A 114 4.141 34.291 49.532 1.00 29.29 C ATOM 1549 C SER A 114 4.711 34.527 48.147 1.00 28.79 C ATOM 1550 O SER A 114 5.903 34.337 47.912 1.00 29.92 O ATOM 1551 CB SER A 114 4.734 35.323 50.493 1.00 30.63 C ATOM 1552 OG SER A 114 4.125 35.249 51.768 1.00 35.45 O ATOM 1553 HA SER A 114 3.059 34.404 49.473 1.00 0.00 H ATOM 1554 HB2 SER A 114 4.579 36.321 50.083 1.00 0.00 H ATOM 1555 HB3 SER A 114 5.803 35.137 50.599 1.00 0.00 H ATOM 1556 HG SER A 114 4.267 34.346 52.148 1.00 0.00 H ATOM 1557 H SER A 114 5.358 32.619 50.197 1.00 0.00 H ATOM 1558 N LYS A 115 3.855 34.965 47.233 1.00 28.61 N ATOM 1559 CA LYS A 115 4.280 35.217 45.863 1.00 27.87 C ATOM 1560 C LYS A 115 5.403 36.250 45.782 1.00 27.96 C ATOM 1561 O LYS A 115 6.212 36.215 44.860 1.00 26.30 O ATOM 1562 CB LYS A 115 3.092 35.691 45.024 1.00 32.64 C ATOM 1563 CG LYS A 115 1.943 34.694 44.937 1.00 33.96 C ATOM 1564 CD LYS A 115 0.771 35.283 44.155 1.00 37.27 C ATOM 1565 CE LYS A 115 -0.392 34.305 44.049 1.00 38.61 C ATOM 1566 NZ LYS A 115 -1.515 34.855 43.236 1.00 42.13 N ATOM 1567 HA LYS A 115 4.666 34.276 45.470 1.00 0.00 H ATOM 1568 HB2 LYS A 115 2.711 36.613 45.463 1.00 0.00 H ATOM 1569 HB3 LYS A 115 3.447 35.891 44.013 1.00 0.00 H ATOM 1570 HG2 LYS A 115 2.290 33.791 44.435 1.00 0.00 H ATOM 1571 HG3 LYS A 115 1.611 34.443 45.944 1.00 0.00 H ATOM 1572 HD2 LYS A 115 0.428 36.185 44.661 1.00 0.00 H ATOM 1573 HD3 LYS A 115 1.110 35.538 43.151 1.00 0.00 H ATOM 1574 HE2 LYS A 115 -0.759 34.084 45.052 1.00 0.00 H ATOM 1575 HE3 LYS A 115 -0.037 33.386 43.583 1.00 0.00 H ATOM 1576 HZ1 LYS A 115 -1.865 35.729 43.677 1.00 0.00 H ATOM 1577 HZ2 LYS A 115 -1.176 35.062 42.275 1.00 0.00 H ATOM 1578 HZ3 LYS A 115 -2.284 34.156 43.191 1.00 0.00 H ATOM 1579 H LYS A 115 2.864 35.131 47.499 1.00 0.00 H ATOM 1580 N LYS A 116 5.467 37.158 46.749 1.00 27.40 N ATOM 1581 CA LYS A 116 6.498 38.191 46.722 1.00 28.82 C ATOM 1582 C LYS A 116 7.917 37.647 46.818 1.00 28.62 C ATOM 1583 O LYS A 116 8.873 38.357 46.514 1.00 28.67 O ATOM 1584 CB LYS A 116 6.268 39.208 47.840 1.00 31.30 C ATOM 1585 CG LYS A 116 6.388 38.633 49.233 1.00 33.79 C ATOM 1586 CD LYS A 116 6.213 39.712 50.284 1.00 38.05 C ATOM 1587 CE LYS A 116 6.328 39.132 51.679 1.00 39.08 C ATOM 1588 NZ LYS A 116 6.168 40.183 52.716 1.00 43.07 N ATOM 1589 HA LYS A 116 6.408 38.670 45.747 1.00 0.00 H ATOM 1590 HB2 LYS A 116 7.004 40.005 47.734 1.00 0.00 H ATOM 1591 HB3 LYS A 116 5.266 39.622 47.726 1.00 0.00 H ATOM 1592 HG2 LYS A 116 5.620 37.872 49.372 1.00 0.00 H ATOM 1593 HG3 LYS A 116 7.372 38.179 49.348 1.00 0.00 H ATOM 1594 HD2 LYS A 116 6.983 40.471 50.148 1.00 0.00 H ATOM 1595 HD3 LYS A 116 5.230 40.169 50.167 1.00 0.00 H ATOM 1596 HE2 LYS A 116 7.308 38.668 51.791 1.00 0.00 H ATOM 1597 HE3 LYS A 116 5.553 38.378 51.815 1.00 0.00 H ATOM 1598 HZ1 LYS A 116 6.908 40.903 52.595 1.00 0.00 H ATOM 1599 HZ2 LYS A 116 5.232 40.626 52.618 1.00 0.00 H ATOM 1600 HZ3 LYS A 116 6.252 39.753 53.659 1.00 0.00 H ATOM 1601 H LYS A 116 4.780 37.133 47.529 1.00 0.00 H ATOM 1602 N TYR A 117 8.057 36.390 47.231 1.00 26.17 N ATOM 1603 CA TYR A 117 9.378 35.787 47.359 1.00 24.90 C ATOM 1604 C TYR A 117 9.794 34.970 46.140 1.00 23.82 C ATOM 1605 O TYR A 117 10.849 34.333 46.136 1.00 21.78 O ATOM 1606 CB TYR A 117 9.451 34.924 48.621 1.00 23.97 C ATOM 1607 CG TYR A 117 9.365 35.729 49.902 1.00 26.96 C ATOM 1608 CD1 TYR A 117 10.181 36.844 50.106 1.00 27.61 C ATOM 1609 CD2 TYR A 117 8.475 35.373 50.911 1.00 27.66 C ATOM 1610 CE1 TYR A 117 10.109 37.586 51.289 1.00 28.99 C ATOM 1611 CE2 TYR A 117 8.396 36.105 52.094 1.00 29.60 C ATOM 1612 CZ TYR A 117 9.216 37.209 52.275 1.00 29.18 C ATOM 1613 OH TYR A 117 9.137 37.931 53.445 1.00 29.39 O ATOM 1614 HA TYR A 117 10.084 36.614 47.434 1.00 0.00 H ATOM 1615 HB3 TYR A 117 10.396 34.381 48.616 1.00 0.00 H ATOM 1616 HB2 TYR A 117 8.625 34.213 48.603 1.00 0.00 H ATOM 1617 HD2 TYR A 117 7.828 34.506 50.773 1.00 0.00 H ATOM 1618 HE2 TYR A 117 7.693 35.811 52.874 1.00 0.00 H ATOM 1619 HE1 TYR A 117 10.752 38.455 51.433 1.00 0.00 H ATOM 1620 HD1 TYR A 117 10.886 37.141 49.330 1.00 0.00 H ATOM 1621 HH TYR A 117 9.784 38.680 53.414 1.00 0.00 H ATOM 1622 H TYR A 117 7.213 35.830 47.466 1.00 0.00 H ATOM 1623 N MET A 118 8.958 34.981 45.110 1.00 23.18 N ATOM 1624 CA MET A 118 9.278 34.276 43.881 1.00 25.12 C ATOM 1625 C MET A 118 10.247 35.167 43.103 1.00 25.21 C ATOM 1626 O MET A 118 10.224 36.391 43.253 1.00 25.50 O ATOM 1627 CB MET A 118 8.009 34.026 43.064 1.00 26.20 C ATOM 1628 CG MET A 118 7.053 33.040 43.718 1.00 27.31 C ATOM 1629 SD MET A 118 5.594 32.721 42.728 1.00 30.96 S ATOM 1630 CE MET A 118 6.236 31.595 41.517 1.00 26.70 C ATOM 1631 HA MET A 118 9.725 33.305 44.092 1.00 0.00 H ATOM 1632 HB2 MET A 118 7.490 34.975 42.933 1.00 0.00 H ATOM 1633 HB3 MET A 118 8.297 33.633 42.089 1.00 0.00 H ATOM 1634 HG2 MET A 118 6.739 33.446 44.680 1.00 0.00 H ATOM 1635 HG3 MET A 118 7.579 32.098 43.876 1.00 0.00 H ATOM 1636 HE1 MET A 118 7.039 32.080 40.962 1.00 0.00 H ATOM 1637 HE2 MET A 118 6.623 30.707 42.017 1.00 0.00 H ATOM 1638 HE3 MET A 118 5.439 31.309 40.831 1.00 0.00 H ATOM 1639 H MET A 118 8.061 35.502 45.184 1.00 0.00 H ATOM 1640 N LEU A 119 11.106 34.553 42.295 1.00 23.08 N ATOM 1641 CA LEU A 119 12.083 35.292 41.502 1.00 23.30 C ATOM 1642 C LEU A 119 12.917 36.189 42.414 1.00 24.43 C ATOM 1643 O LEU A 119 13.225 37.326 42.067 1.00 21.83 O ATOM 1644 CB LEU A 119 11.369 36.148 40.456 1.00 25.00 C ATOM 1645 CG LEU A 119 10.427 35.398 39.512 1.00 26.70 C ATOM 1646 CD1 LEU A 119 9.693 36.388 38.621 1.00 28.82 C ATOM 1647 CD2 LEU A 119 11.225 34.415 38.677 1.00 28.13 C ATOM 1648 HA LEU A 119 12.737 34.582 40.996 1.00 0.00 H ATOM 1649 HB2 LEU A 119 10.784 36.902 40.983 1.00 0.00 H ATOM 1650 HB3 LEU A 119 12.130 36.639 39.849 1.00 0.00 H ATOM 1651 HG LEU A 119 9.689 34.846 40.094 1.00 0.00 H ATOM 1652 HD21 LEU A 119 11.970 34.956 38.094 1.00 0.00 H ATOM 1653 HD22 LEU A 119 11.724 33.703 39.334 1.00 0.00 H ATOM 1654 HD23 LEU A 119 10.553 33.881 38.005 1.00 0.00 H ATOM 1655 HD11 LEU A 119 9.113 37.072 39.241 1.00 0.00 H ATOM 1656 HD12 LEU A 119 10.417 36.953 38.034 1.00 0.00 H ATOM 1657 HD13 LEU A 119 9.024 35.846 37.952 1.00 0.00 H ATOM 1658 H LEU A 119 11.081 33.516 42.226 1.00 0.00 H ATOM 1659 N TYR A 120 13.282 35.663 43.578 1.00 23.95 N ATOM 1660 CA TYR A 120 14.062 36.417 44.560 1.00 24.12 C ATOM 1661 C TYR A 120 15.532 36.501 44.144 1.00 26.19 C ATOM 1662 O TYR A 120 16.181 35.476 43.932 1.00 25.66 O ATOM 1663 CB TYR A 120 13.948 35.738 45.929 1.00 23.98 C ATOM 1664 CG TYR A 120 14.217 36.662 47.092 1.00 23.91 C ATOM 1665 CD1 TYR A 120 13.280 37.621 47.469 1.00 23.95 C ATOM 1666 CD2 TYR A 120 15.409 36.585 47.812 1.00 23.12 C ATOM 1667 CE1 TYR A 120 13.519 38.486 48.539 1.00 24.63 C ATOM 1668 CE2 TYR A 120 15.659 37.446 48.881 1.00 22.41 C ATOM 1669 CZ TYR A 120 14.707 38.392 49.237 1.00 25.23 C ATOM 1670 OH TYR A 120 14.934 39.244 50.294 1.00 25.85 O ATOM 1671 HA TYR A 120 13.666 37.431 44.616 1.00 0.00 H ATOM 1672 HB3 TYR A 120 14.666 34.919 45.967 1.00 0.00 H ATOM 1673 HB2 TYR A 120 12.939 35.340 46.032 1.00 0.00 H ATOM 1674 HD2 TYR A 120 16.156 35.841 47.535 1.00 0.00 H ATOM 1675 HE2 TYR A 120 16.596 37.376 49.433 1.00 0.00 H ATOM 1676 HE1 TYR A 120 12.774 39.230 48.821 1.00 0.00 H ATOM 1677 HD1 TYR A 120 12.342 37.698 46.918 1.00 0.00 H ATOM 1678 HH TYR A 120 15.063 38.715 51.121 1.00 0.00 H ATOM 1679 H TYR A 120 13.005 34.685 43.798 1.00 0.00 H ATOM 1680 N PRO A 121 16.081 37.725 44.025 1.00 26.60 N ATOM 1681 CA PRO A 121 17.482 37.910 43.628 1.00 27.67 C ATOM 1682 C PRO A 121 18.473 37.530 44.718 1.00 29.02 C ATOM 1683 O PRO A 121 18.414 38.055 45.824 1.00 26.64 O ATOM 1684 CB PRO A 121 17.552 39.390 43.282 1.00 25.54 C ATOM 1685 CG PRO A 121 16.585 39.994 44.223 1.00 27.36 C ATOM 1686 CD PRO A 121 15.412 39.027 44.197 1.00 26.28 C ATOM 1687 HA PRO A 121 17.762 37.259 42.800 1.00 0.00 H ATOM 1688 HD3 PRO A 121 14.850 39.062 45.131 1.00 0.00 H ATOM 1689 HD2 PRO A 121 14.743 39.240 43.364 1.00 0.00 H ATOM 1690 HG3 PRO A 121 16.281 40.985 43.887 1.00 0.00 H ATOM 1691 HG2 PRO A 121 17.009 40.066 45.225 1.00 0.00 H ATOM 1692 HB2 PRO A 121 18.555 39.784 43.443 1.00 0.00 H ATOM 1693 HB3 PRO A 121 17.256 39.566 42.248 1.00 0.00 H ATOM 1694 N ASP A 122 19.394 36.629 44.393 1.00 31.92 N ATOM 1695 CA ASP A 122 20.370 36.171 45.372 1.00 35.87 C ATOM 1696 C ASP A 122 21.217 37.265 46.000 1.00 36.05 C ATOM 1697 O ASP A 122 21.691 37.098 47.122 1.00 33.97 O ATOM 1698 CB ASP A 122 21.304 35.120 44.769 1.00 41.33 C ATOM 1699 CG ASP A 122 22.218 35.687 43.702 1.00 47.59 C ATOM 1700 OD1 ASP A 122 21.733 35.958 42.584 1.00 50.27 O ATOM 1701 OD2 ASP A 122 23.423 35.863 43.982 1.00 51.83 O ATOM 1702 HA ASP A 122 19.762 35.746 46.170 1.00 0.00 H ATOM 1703 HB2 ASP A 122 21.918 34.701 45.566 1.00 0.00 H ATOM 1704 HB3 ASP A 122 20.699 34.330 44.325 1.00 0.00 H ATOM 1705 H ASP A 122 19.418 36.246 43.426 1.00 0.00 H ATOM 1706 N PHE A 124 21.421 38.377 45.299 1.00 30.35 N ATOM 1707 CA PHE A 124 22.245 39.434 45.873 1.00 28.63 C ATOM 1708 C PHE A 124 21.666 39.921 47.198 1.00 28.50 C ATOM 1709 O PHE A 124 22.386 40.472 48.026 1.00 27.77 O ATOM 1710 CB PHE A 124 22.430 40.591 44.871 1.00 28.06 C ATOM 1711 CG PHE A 124 21.364 41.648 44.935 1.00 28.38 C ATOM 1712 CD1 PHE A 124 21.385 42.616 45.933 1.00 30.78 C ATOM 1713 CD2 PHE A 124 20.347 41.685 43.989 1.00 27.71 C ATOM 1714 CE1 PHE A 124 20.412 43.606 45.985 1.00 27.81 C ATOM 1715 CE2 PHE A 124 19.366 42.674 44.034 1.00 27.63 C ATOM 1716 CZ PHE A 124 19.401 43.636 45.036 1.00 28.90 C ATOM 1717 HA PHE A 124 23.232 39.022 46.083 1.00 0.00 H ATOM 1718 HB2 PHE A 124 23.391 41.064 45.071 1.00 0.00 H ATOM 1719 HB3 PHE A 124 22.435 40.173 43.865 1.00 0.00 H ATOM 1720 HD2 PHE A 124 20.316 40.931 43.202 1.00 0.00 H ATOM 1721 HE2 PHE A 124 18.574 42.693 43.286 1.00 0.00 H ATOM 1722 HZ PHE A 124 18.636 44.412 45.076 1.00 0.00 H ATOM 1723 HE1 PHE A 124 20.443 44.360 46.772 1.00 0.00 H ATOM 1724 HD1 PHE A 124 22.175 42.598 46.684 1.00 0.00 H ATOM 1725 H PHE A 124 20.999 38.491 44.355 1.00 0.00 H ATOM 1726 N LEU A 125 20.369 39.700 47.410 1.00 25.48 N ATOM 1727 CA LEU A 125 19.724 40.110 48.657 1.00 25.00 C ATOM 1728 C LEU A 125 20.018 39.095 49.755 1.00 26.96 C ATOM 1729 O LEU A 125 19.675 39.307 50.917 1.00 27.72 O ATOM 1730 CB LEU A 125 18.207 40.225 48.474 1.00 24.71 C ATOM 1731 CG LEU A 125 17.726 41.356 47.565 1.00 24.58 C ATOM 1732 CD1 LEU A 125 16.225 41.254 47.366 1.00 23.62 C ATOM 1733 CD2 LEU A 125 18.085 42.696 48.194 1.00 24.03 C ATOM 1734 HA LEU A 125 20.122 41.085 48.938 1.00 0.00 H ATOM 1735 HB2 LEU A 125 17.849 39.285 48.055 1.00 0.00 H ATOM 1736 HB3 LEU A 125 17.762 40.375 49.458 1.00 0.00 H ATOM 1737 HG LEU A 125 18.213 41.275 46.593 1.00 0.00 H ATOM 1738 HD21 LEU A 125 17.602 42.780 49.168 1.00 0.00 H ATOM 1739 HD22 LEU A 125 19.166 42.761 48.316 1.00 0.00 H ATOM 1740 HD23 LEU A 125 17.742 43.503 47.547 1.00 0.00 H ATOM 1741 HD11 LEU A 125 15.985 40.295 46.906 1.00 0.00 H ATOM 1742 HD12 LEU A 125 15.726 41.331 48.332 1.00 0.00 H ATOM 1743 HD13 LEU A 125 15.890 42.063 46.717 1.00 0.00 H ATOM 1744 H LEU A 125 19.805 39.227 46.675 1.00 0.00 H ATOM 1745 N CYS A 126 20.661 37.997 49.375 1.00 28.07 N ATOM 1746 CA CYS A 126 21.000 36.936 50.319 1.00 29.74 C ATOM 1747 C CYS A 126 22.514 36.818 50.500 1.00 32.74 C ATOM 1748 O CYS A 126 23.236 36.480 49.563 1.00 32.78 O ATOM 1749 CB CYS A 126 20.457 35.598 49.814 1.00 28.04 C ATOM 1750 SG CYS A 126 18.694 35.590 49.354 1.00 25.26 S ATOM 1751 HA CYS A 126 20.549 37.188 51.279 1.00 0.00 H ATOM 1752 HB2 CYS A 126 20.602 34.858 50.601 1.00 0.00 H ATOM 1753 HB3 CYS A 126 21.035 35.311 48.936 1.00 0.00 H ATOM 1754 H CYS A 126 20.931 37.890 48.376 1.00 0.00 H ATOM 1755 N LYS A 127 22.987 37.084 51.711 1.00 36.29 N ATOM 1756 CA LYS A 127 24.413 36.999 52.002 1.00 40.50 C ATOM 1757 C LYS A 127 24.643 36.576 53.452 1.00 40.07 C ATOM 1758 O LYS A 127 23.808 36.826 54.320 1.00 40.30 O ATOM 1759 CB LYS A 127 25.082 38.349 51.723 1.00 43.22 C ATOM 1760 CG LYS A 127 24.542 39.497 52.563 1.00 46.88 C ATOM 1761 CD LYS A 127 24.691 40.838 51.850 1.00 50.10 C ATOM 1762 CE LYS A 127 26.141 41.153 51.508 1.00 51.78 C ATOM 1763 NZ LYS A 127 26.259 42.421 50.733 1.00 53.33 N ATOM 1764 HA LYS A 127 24.859 36.244 51.355 1.00 0.00 H ATOM 1765 HB2 LYS A 127 26.149 38.250 51.924 1.00 0.00 H ATOM 1766 HB3 LYS A 127 24.932 38.594 50.672 1.00 0.00 H ATOM 1767 HG2 LYS A 127 23.486 39.320 52.766 1.00 0.00 H ATOM 1768 HG3 LYS A 127 25.090 39.534 53.504 1.00 0.00 H ATOM 1769 HD2 LYS A 127 24.111 40.811 50.928 1.00 0.00 H ATOM 1770 HD3 LYS A 127 24.305 41.625 52.498 1.00 0.00 H ATOM 1771 HE2 LYS A 127 26.550 40.336 50.914 1.00 0.00 H ATOM 1772 HE3 LYS A 127 26.710 41.249 52.433 1.00 0.00 H ATOM 1773 HZ1 LYS A 127 25.723 42.335 49.846 1.00 0.00 H ATOM 1774 HZ2 LYS A 127 25.876 43.207 51.296 1.00 0.00 H ATOM 1775 HZ3 LYS A 127 27.260 42.603 50.518 1.00 0.00 H ATOM 1776 H LYS A 127 22.328 37.358 52.467 1.00 0.00 H ATOM 1777 N GLY A 128 25.775 35.928 53.704 1.00 41.99 N ATOM 1778 CA GLY A 128 26.080 35.476 55.050 1.00 44.07 C ATOM 1779 C GLY A 128 25.773 34.001 55.227 1.00 45.83 C ATOM 1780 O GLY A 128 24.618 33.586 55.153 1.00 45.02 O ATOM 1781 HA3 GLY A 128 25.484 36.049 55.760 1.00 0.00 H ATOM 1782 HA2 GLY A 128 27.139 35.644 55.248 1.00 0.00 H ATOM 1783 H GLY A 128 26.447 35.743 52.932 1.00 0.00 H ATOM 1784 N GLU A 129 26.807 33.204 55.463 1.00 48.40 N ATOM 1785 CA GLU A 129 26.630 31.767 55.641 1.00 50.95 C ATOM 1786 C GLU A 129 25.891 31.456 56.940 1.00 50.83 C ATOM 1787 O GLU A 129 26.232 31.980 57.999 1.00 51.18 O ATOM 1788 CB GLU A 129 27.993 31.068 55.637 1.00 53.75 C ATOM 1789 CG GLU A 129 27.926 29.550 55.622 1.00 56.23 C ATOM 1790 CD GLU A 129 27.219 29.012 54.394 1.00 58.83 C ATOM 1791 OE1 GLU A 129 27.625 29.373 53.268 1.00 59.34 O ATOM 1792 OE2 GLU A 129 26.261 28.226 54.554 1.00 59.55 O ATOM 1793 HA GLU A 129 26.028 31.396 54.812 1.00 0.00 H ATOM 1794 HB2 GLU A 129 28.539 31.393 54.752 1.00 0.00 H ATOM 1795 HB3 GLU A 129 28.536 31.376 56.531 1.00 0.00 H ATOM 1796 HG2 GLU A 129 28.942 29.155 55.642 1.00 0.00 H ATOM 1797 HG3 GLU A 129 27.389 29.215 56.510 1.00 0.00 H ATOM 1798 H GLU A 129 27.762 33.611 55.522 1.00 0.00 H ATOM 1799 N LEU A 130 24.869 30.609 56.849 1.00 49.96 N ATOM 1800 CA LEU A 130 24.087 30.211 58.015 1.00 49.06 C ATOM 1801 C LEU A 130 24.384 28.748 58.319 1.00 50.43 C ATOM 1802 O LEU A 130 24.272 27.895 57.441 1.00 48.34 O ATOM 1803 CB LEU A 130 22.593 30.395 57.746 1.00 48.03 C ATOM 1804 CG LEU A 130 21.653 29.954 58.870 1.00 47.25 C ATOM 1805 CD1 LEU A 130 22.010 30.682 60.159 1.00 46.26 C ATOM 1806 CD2 LEU A 130 20.210 30.236 58.471 1.00 46.60 C ATOM 1807 HA LEU A 130 24.358 30.834 58.867 1.00 0.00 H ATOM 1808 HB2 LEU A 130 22.415 31.454 57.557 1.00 0.00 H ATOM 1809 HB3 LEU A 130 22.341 29.821 56.854 1.00 0.00 H ATOM 1810 HG LEU A 130 21.764 28.883 59.039 1.00 0.00 H ATOM 1811 HD21 LEU A 130 20.086 31.304 58.293 1.00 0.00 H ATOM 1812 HD22 LEU A 130 19.971 29.684 57.562 1.00 0.00 H ATOM 1813 HD23 LEU A 130 19.544 29.920 59.274 1.00 0.00 H ATOM 1814 HD11 LEU A 130 23.038 30.446 60.435 1.00 0.00 H ATOM 1815 HD12 LEU A 130 21.911 31.757 60.007 1.00 0.00 H ATOM 1816 HD13 LEU A 130 21.336 30.362 60.954 1.00 0.00 H ATOM 1817 H LEU A 130 24.620 30.218 55.918 1.00 0.00 H ATOM 1818 N LYS A 131 24.752 28.465 59.565 1.00 51.76 N ATOM 1819 CA LYS A 131 25.101 27.106 59.977 1.00 54.43 C ATOM 1820 C LYS A 131 23.932 26.126 59.991 1.00 53.12 C ATOM 1821 O LYS A 131 22.809 26.479 60.358 1.00 53.61 O ATOM 1822 CB LYS A 131 25.769 27.132 61.361 1.00 56.01 C ATOM 1823 CG LYS A 131 24.898 26.649 62.526 1.00 58.22 C ATOM 1824 CD LYS A 131 23.725 27.575 62.814 1.00 60.06 C ATOM 1825 CE LYS A 131 24.182 28.909 63.375 1.00 61.16 C ATOM 1826 NZ LYS A 131 23.022 29.773 63.745 1.00 62.08 N ATOM 1827 HA LYS A 131 25.791 26.738 59.217 1.00 0.00 H ATOM 1828 HB2 LYS A 131 26.654 26.498 61.318 1.00 0.00 H ATOM 1829 HB3 LYS A 131 26.069 28.159 61.570 1.00 0.00 H ATOM 1830 HG2 LYS A 131 24.509 25.660 62.283 1.00 0.00 H ATOM 1831 HG3 LYS A 131 25.518 26.584 63.420 1.00 0.00 H ATOM 1832 HD2 LYS A 131 23.178 27.751 61.887 1.00 0.00 H ATOM 1833 HD3 LYS A 131 23.066 27.095 63.538 1.00 0.00 H ATOM 1834 HE2 LYS A 131 24.781 29.423 62.624 1.00 0.00 H ATOM 1835 HE3 LYS A 131 24.789 28.731 64.263 1.00 0.00 H ATOM 1836 HZ1 LYS A 131 22.441 29.952 62.901 1.00 0.00 H ATOM 1837 HZ2 LYS A 131 22.448 29.291 64.466 1.00 0.00 H ATOM 1838 HZ3 LYS A 131 23.371 30.676 64.125 1.00 0.00 H ATOM 1839 H LYS A 131 24.793 29.232 60.266 1.00 0.00 H ATOM 1840 N CYS A 133 24.212 24.891 59.585 1.00 48.13 N ATOM 1841 CA CYS A 133 23.202 23.836 59.559 1.00 44.49 C ATOM 1842 C CYS A 133 23.048 23.207 60.939 1.00 46.03 C ATOM 1843 O CYS A 133 21.926 23.250 61.485 1.00 46.49 O ATOM 1844 CB CYS A 133 23.587 22.744 58.563 1.00 38.87 C ATOM 1845 SG CYS A 133 23.263 23.105 56.807 1.00 34.83 S ATOM 1846 HA CYS A 133 22.259 24.290 59.256 1.00 0.00 H ATOM 1847 OXT CYS A 133 24.054 22.679 61.457 1.00 48.39 O ATOM 1848 HB2 CYS A 133 23.032 21.844 58.825 1.00 0.00 H ATOM 1849 HB3 CYS A 133 24.655 22.556 58.672 1.00 0.00 H ATOM 1850 H CYS A 133 25.180 24.669 59.276 1.00 0.00 H TER 1851 CYS A 133 HETATM 1852 O HOH 1 14.813 17.910 53.713 1.00 18.89 O HETATM 1853 O HOH 2 12.306 29.365 38.298 1.00 24.72 O HETATM 1854 O HOH 3 8.146 32.601 38.727 1.00 29.44 O HETATM 1855 O HOH 4 5.023 26.173 50.576 1.00 21.39 O HETATM 1856 O HOH 5 12.329 12.188 55.721 1.00 24.11 O HETATM 1857 O HOH 6 6.477 24.341 34.365 1.00 25.29 O HETATM 1858 O HOH 7 16.698 14.245 44.325 1.00 28.28 O HETATM 1859 O HOH 8 6.089 30.160 53.683 1.00 26.07 O HETATM 1860 O HOH 9 3.341 11.988 51.418 1.00 32.47 O HETATM 1861 O HOH 10 13.157 20.210 54.201 1.00 21.95 O HETATM 1862 O HOH 11 9.973 9.001 56.310 1.00 27.20 O HETATM 1863 O HOH 12 21.094 38.472 42.387 1.00 41.96 O HETATM 1864 O HOH 13 18.572 41.205 52.663 1.00 37.82 O HETATM 1865 O HOH 14 10.998 28.102 35.910 1.00 27.33 O HETATM 1866 O HOH 15 -1.486 17.104 43.410 1.00 47.02 O HETATM 1867 O HOH 16 21.136 38.460 53.375 1.00 38.84 O HETATM 1868 O HOH 17 5.606 34.296 53.846 1.00 25.48 O HETATM 1869 O HOH 18 3.401 29.475 42.919 1.00 35.96 O HETATM 1870 O HOH 19 9.541 6.772 53.465 1.00 28.59 O HETATM 1871 O HOH 20 9.582 30.767 43.139 1.00 38.63 O HETATM 1872 O HOH 21 16.200 31.155 45.319 1.00 26.69 O HETATM 1873 O HOH 22 6.518 37.383 55.250 1.00 57.61 O HETATM 1874 O HOH 23 11.080 38.438 45.030 1.00 37.99 O HETATM 1875 O HOH 24 -0.058 14.049 50.901 1.00 41.72 O HETATM 1876 O HOH 25 24.947 15.356 40.771 1.00 57.02 O HETATM 1877 O HOH 26 8.684 35.669 56.957 1.00 43.33 O HETATM 1878 O HOH 27 6.461 37.707 40.570 1.00 41.11 O HETATM 1879 O HOH 28 -1.549 24.634 45.221 1.00 42.41 O HETATM 1880 O HOH 29 2.934 38.116 48.364 1.00 40.82 O HETATM 1881 O HOH 30 10.211 30.833 39.613 1.00 35.45 O HETATM 1882 O HOH 31 9.404 6.397 41.521 1.00 48.27 O HETATM 1883 O HOH 32 9.417 17.823 56.942 1.00 30.56 O HETATM 1884 O HOH 33 23.929 29.407 54.683 1.00 36.44 O HETATM 1885 O HOH 34 6.619 34.853 40.034 1.00 31.80 O HETATM 1886 O HOH 35 14.101 4.928 47.454 1.00 44.18 O HETATM 1887 O HOH 36 11.625 39.582 41.500 1.00 50.73 O HETATM 1888 O HOH 37 16.822 38.729 52.042 1.00 41.77 O HETATM 1889 O HOH 38 29.306 36.357 50.331 1.00 74.05 O HETATM 1890 O HOH 39 0.201 28.205 41.476 1.00 43.75 O HETATM 1891 O HOH 40 1.757 6.774 43.859 1.00 60.83 O HETATM 1892 O HOH 41 2.513 25.476 39.854 1.00 40.47 O HETATM 1893 O HOH 42 16.248 41.270 56.420 1.00 50.56 O HETATM 1894 O HOH 43 19.634 34.602 60.936 1.00 46.76 O HETATM 1895 O HOH 44 16.576 29.776 39.437 1.00 38.38 O HETATM 1896 O HOH 45 7.803 38.091 43.184 1.00 43.09 O HETATM 1897 O HOH 46 18.034 34.069 46.122 1.00 35.10 O HETATM 1898 O HOH 47 -0.894 33.286 56.515 1.00 42.36 O HETATM 1899 O HOH 48 -3.544 28.140 58.887 1.00 31.05 O HETATM 1900 O HOH 49 -2.955 2.474 49.816 1.00 47.97 O HETATM 1901 O HOH 50 0.347 36.004 47.843 1.00 61.69 O HETATM 1902 O HOH 51 24.740 3.888 48.018 1.00 39.38 O HETATM 1903 O HOH 52 15.659 16.564 56.016 1.00 33.71 O HETATM 1904 O HOH 53 10.094 2.895 36.732 1.00 58.86 O HETATM 1905 O HOH 54 1.835 13.244 54.009 1.00 52.36 O HETATM 1906 O HOH 55 14.925 38.326 56.185 1.00 74.53 O HETATM 1907 O HOH 56 6.558 31.693 57.357 1.00 33.05 O HETATM 1908 O HOH 57 5.601 34.554 56.991 1.00 42.55 O HETATM 1909 O HOH 58 4.921 7.170 54.622 1.00 45.18 O HETATM 1910 O HOH 59 14.072 32.434 58.776 1.00 42.34 O HETATM 1911 O HOH 60 7.954 3.733 38.998 1.00 69.84 O HETATM 1912 O HOH 61 14.854 41.889 37.569 1.00 39.37 O HETATM 1913 O HOH 62 21.575 4.544 55.489 1.00 68.11 O HETATM 1914 O HOH 63 12.861 41.019 44.432 1.00 57.12 O HETATM 1915 O HOH 64 -6.029 35.313 53.595 1.00 72.94 O HETATM 1916 O HOH 65 26.807 15.305 47.524 1.00 46.17 O HETATM 1917 O HOH 66 19.228 2.348 53.350 1.00 58.22 O HETATM 1918 O HOH 67 7.321 8.929 60.119 1.00 57.58 O HETATM 1919 O HOH 68 -8.417 37.150 55.297 1.00 67.03 O HETATM 1920 O HOH 69 0.026 29.843 46.549 1.00 44.13 O HETATM 1921 O HOH 70 24.377 37.966 42.350 1.00 54.25 O HETATM 1922 O HOH 71 -2.710 20.281 40.374 1.00 44.30 O HETATM 1923 O HOH 72 3.906 9.521 36.310 1.00 65.50 O HETATM 1924 O HOH 73 4.775 8.333 42.718 1.00 67.20 O HETATM 1925 O HOH 74 12.324 7.615 38.580 1.00 84.63 O HETATM 1926 O HOH 75 9.824 10.004 39.987 1.00 56.18 O HETATM 1927 O HOH 76 24.680 16.539 43.791 1.00 51.63 O HETATM 1928 O HOH 77 6.039 7.128 37.341 1.00 65.15 O HETATM 1929 O HOH 78 19.691 38.416 57.197 1.00 66.89 O HETATM 1930 O HOH 79 -0.311 22.822 39.148 1.00 42.98 O HETATM 1931 O HOH 80 -1.167 28.984 49.291 1.00 39.91 O HETATM 1932 O HOH 81 20.734 33.164 42.728 1.00 54.02 O HETATM 1933 O HOH 82 3.794 11.050 55.779 1.00 52.28 O HETATM 1934 O HOH 83 16.316 30.834 60.293 1.00 45.66 O HETATM 1935 O HOH 84 20.010 29.527 64.990 1.00 70.49 O HETATM 1936 O HOH 85 7.289 23.246 58.717 1.00 39.02 O HETATM 1937 O HOH 86 16.984 27.990 59.151 1.00 35.27 O HETATM 1938 O HOH 87 1.092 20.509 59.646 1.00 28.54 O HETATM 1939 O HOH 88 9.076 20.804 58.666 1.00 36.29 O HETATM 1940 O HOH 89 24.445 0.304 49.352 1.00 65.09 O HETATM 1941 O HOH 90 17.431 39.303 59.355 1.00 68.53 O HETATM 1942 O HOH 91 19.091 36.028 41.391 1.00 57.92 O HETATM 1943 O HOH 92 22.226 24.902 53.994 1.00 33.03 O HETATM 1944 O HOH 93 17.319 37.132 54.459 1.00 33.11 O HETATM 1945 O HOH 94 2.651 2.223 43.106 1.00 66.34 O HETATM 1946 O HOH 95 8.809 -0.876 45.403 1.00 79.80 O HETATM 1947 O HOH 96 9.810 6.246 57.437 1.00 37.72 O HETATM 1948 O HOH 97 13.027 38.858 62.902 1.00 55.37 O HETATM 1949 O HOH 98 24.531 10.340 39.161 1.00 61.66 O HETATM 1950 O HOH 99 -0.488 12.215 56.274 1.00 59.33 O HETATM 1951 O HOH 100 12.733 0.501 37.469 1.00 67.04 O HETATM 1952 O HOH 101 8.927 -0.689 50.828 1.00 53.95 O HETATM 1953 O HOH 102 -1.906 -0.746 53.451 1.00 50.93 O HETATM 1954 O HOH 103 2.524 5.231 54.039 1.00 43.29 O HETATM 1955 O HOH 104 20.724 32.971 47.941 1.00 49.29 O HETATM 1956 O HOH 105 25.485 29.822 47.949 1.00 58.01 O HETATM 1957 O HOH 106 7.486 5.244 55.470 1.00 55.62 O HETATM 1958 O HOH 107 0.310 32.812 47.813 1.00 54.23 O HETATM 1959 O HOH 108 1.924 35.216 55.073 1.00 66.39 O HETATM 1960 O HOH 109 25.880 30.608 61.273 1.00 50.68 O HETATM 1961 O HOH 110 15.013 3.224 44.434 1.00 46.07 O HETATM 1962 O HOH 111 7.244 10.082 57.251 1.00 74.89 O HETATM 1963 O HOH 112 28.798 31.013 59.786 1.00 44.15 O HETATM 1964 O HOH 113 -2.526 17.317 53.094 1.00 49.04 O HETATM 1965 O HOH 114 -1.309 7.772 55.854 1.00 74.28 O HETATM 1966 O HOH 115 18.773 28.764 41.321 1.00 67.60 O HETATM 1967 O HOH 116 24.695 26.561 51.595 1.00 45.31 O HETATM 1968 O HOH 117 13.978 30.965 62.786 1.00 53.06 O HETATM 1969 O HOH 118 27.937 10.264 38.970 1.00 76.60 O HETATM 1970 O HOH 119 23.746 25.492 48.785 1.00 66.64 O HETATM 1971 O HOH 120 11.989 19.705 56.793 1.00 40.14 O HETATM 1972 O HOH 121 10.935 40.522 53.966 1.00 52.22 O HETATM 1973 O HOH 122 24.316 18.488 46.505 1.00 52.98 O HETATM 1974 O HOH 123 23.487 20.996 49.976 1.00 41.70 O HETATM 1975 O HOH 124 15.749 4.241 39.159 1.00 58.48 O HETATM 1976 O HOH 125 19.132 3.806 38.815 1.00 57.88 O HETATM 1977 O HOH 126 9.965 6.193 36.754 1.00 63.44 O HETATM 1978 O HOH 127 12.877 7.547 33.362 1.00 64.16 O HETATM 1979 O HOH 128 22.433 22.363 38.447 1.00 69.15 O HETATM 1980 N PHE A 129 8.575 15.709 38.306 1.00 0.24 N HETATM 1981 CA PHE A 129 9.602 15.861 37.235 1.00 0.07 C HETATM 1982 C PHE A 129 9.830 17.345 36.978 1.00 0.23 C HETATM 1983 O PHE A 129 9.803 17.772 35.824 1.00 -0.39 O HETATM 1984 N PHE A 129 10.114 17.764 38.535 1.00 -0.26 N HETATM 1985 CA PHE A 129 10.318 19.205 38.410 1.00 0.13 C HETATM 1986 C PHE A 129 10.795 20.058 39.586 1.00 0.20 C HETATM 1987 O PHE A 129 10.339 21.190 39.731 1.00 -0.39 O HETATM 1988 N PHE A 129 11.710 19.564 40.412 1.00 -0.26 N HETATM 1989 CA PHE A 129 12.174 20.378 41.535 1.00 0.15 C HETATM 1990 C PHE A 129 13.680 20.605 41.572 1.00 0.21 C HETATM 1991 O PHE A 129 14.456 19.699 41.289 1.00 -0.39 O HETATM 1992 N PHE A 129 14.081 21.821 41.933 1.00 -0.26 N HETATM 1993 CA PHE A 129 15.494 22.183 42.005 1.00 0.14 C HETATM 1994 C PHE A 129 15.940 22.116 43.462 1.00 0.21 C HETATM 1995 O PHE A 129 15.316 21.433 44.275 1.00 -0.39 O HETATM 1996 N PHE A 129 17.023 22.816 43.785 1.00 -0.27 N HETATM 1997 CA PHE A 129 17.477 22.852 45.151 1.00 0.09 C HETATM 1998 C PHE A 129 18.045 21.509 45.604 1.00 0.06 C HETATM 1999 OXT PHE A 129 18.940 20.932 44.946 1.00 -0.57 O HETATM 2000 O PHE A 129 17.944 21.152 46.773 1.00 -0.57 O HETATM 2001 CB PHE A 129 16.328 23.250 46.073 1.00 -0.02 C HETATM 2002 CG PHE A 129 16.665 24.465 46.883 1.00 -0.04 C HETATM 2003 CD PHE A 129 18.062 24.467 47.220 1.00 -0.01 C HETATM 2004 CE PHE A 129 18.853 25.112 46.570 1.00 -0.04 C HETATM 2005 NZ PHE A 129 19.965 25.814 47.262 1.00 0.22 N HETATM 2006 H47 PHE A 129 20.529 26.301 46.583 1.00 0.20 H HETATM 2007 H48 PHE A 129 20.535 25.141 47.751 1.00 0.20 H HETATM 2008 H49 PHE A 129 19.586 26.476 47.921 1.00 0.20 H HETATM 2009 H45 PHE A 129 18.276 25.878 46.032 1.00 0.08 H HETATM 2010 H46 PHE A 129 19.311 24.422 45.846 1.00 0.08 H HETATM 2011 H43 PHE A 129 18.398 23.421 47.175 1.00 0.03 H HETATM 2012 H44 PHE A 129 18.135 24.831 48.255 1.00 0.03 H HETATM 2013 H41 PHE A 129 16.069 24.462 47.807 1.00 0.03 H HETATM 2014 H42 PHE A 129 16.431 25.367 46.299 1.00 0.03 H HETATM 2015 H39 PHE A 129 16.112 22.415 46.755 1.00 0.03 H HETATM 2016 H40 PHE A 129 15.438 23.464 45.462 1.00 0.03 H HETATM 2017 H38 PHE A 129 18.272 23.608 45.229 1.00 0.07 H HETATM 2018 H37 PHE A 129 17.523 23.318 43.079 1.00 0.19 H HETATM 2019 CB PHE A 129 15.685 23.603 41.459 1.00 0.02 C HETATM 2020 CG PHE A 129 17.016 23.874 40.780 1.00 -0.05 C HETATM 2021 CD2 PHE A 129 17.187 23.610 39.421 1.00 -0.07 C HETATM 2022 CE2 PHE A 129 18.387 23.893 38.775 1.00 -0.04 C HETATM 2023 CZ PHE A 129 19.436 24.448 39.488 1.00 0.08 C HETATM 2024 CE1 PHE A 129 19.298 24.716 40.842 1.00 -0.04 C HETATM 2025 CD1 PHE A 129 18.089 24.426 41.482 1.00 -0.07 C HETATM 2026 H32 PHE A 129 17.983 24.633 42.541 1.00 0.05 H HETATM 2027 H34 PHE A 129 20.121 25.147 41.400 1.00 0.05 H HETATM 2028 OH PHE A 129 20.612 24.752 38.841 1.00 -0.34 O HETATM 2029 H36 PHE A 129 21.327 24.273 39.244 1.00 0.25 H HETATM 2030 H35 PHE A 129 18.500 23.680 37.718 1.00 0.05 H HETATM 2031 H33 PHE A 129 16.369 23.176 38.857 1.00 0.05 H HETATM 2032 H30 PHE A 129 15.586 24.305 42.300 1.00 0.05 H HETATM 2033 H31 PHE A 129 14.887 23.794 40.726 1.00 0.05 H HETATM 2034 H29 PHE A 129 16.088 21.478 41.405 1.00 0.08 H HETATM 2035 H28 PHE A 129 13.393 22.509 42.162 1.00 0.19 H HETATM 2036 CB PHE A 129 11.724 19.765 42.858 1.00 0.08 C HETATM 2037 OG PHE A 129 12.176 20.561 43.939 1.00 -0.39 O HETATM 2038 H27 PHE A 129 13.125 20.607 43.922 1.00 0.21 H HETATM 2039 H25 PHE A 129 12.143 18.752 42.951 1.00 0.06 H HETATM 2040 H26 PHE A 129 10.626 19.711 42.880 1.00 0.06 H HETATM 2041 H24 PHE A 129 11.698 21.365 41.436 1.00 0.08 H HETATM 2042 H23 PHE A 129 12.078 18.645 40.268 1.00 0.19 H HETATM 2043 CB PHE A 129 9.034 19.843 37.873 1.00 -0.01 C HETATM 2044 CG PHE A 129 7.640 19.500 38.429 1.00 -0.04 C HETATM 2045 CD2 PHE A 129 7.640 19.616 39.925 1.00 -0.06 C HETATM 2046 H20 PHE A 129 7.949 20.631 40.214 1.00 0.02 H HETATM 2047 H21 PHE A 129 8.343 18.884 40.349 1.00 0.02 H HETATM 2048 H22 PHE A 129 6.628 19.417 40.308 1.00 0.02 H HETATM 2049 CD1 PHE A 129 7.216 18.103 38.004 1.00 -0.06 C HETATM 2050 H17 PHE A 129 6.219 17.882 38.413 1.00 0.02 H HETATM 2051 H18 PHE A 129 7.940 17.368 38.386 1.00 0.02 H HETATM 2052 H19 PHE A 129 7.182 18.048 36.906 1.00 0.02 H HETATM 2053 H16 PHE A 129 6.916 20.221 38.022 1.00 0.03 H HETATM 2054 H14 PHE A 129 9.001 19.604 36.800 1.00 0.03 H HETATM 2055 H15 PHE A 129 9.155 20.928 38.004 1.00 0.03 H HETATM 2056 H13 PHE A 129 11.096 19.315 37.640 1.00 0.08 H HETATM 2057 H12 PHE A 129 10.141 17.188 39.352 1.00 0.19 H HETATM 2058 CB PHE A 129 9.117 15.215 35.933 1.00 0.04 C HETATM 2059 CG PHE A 129 8.092 14.134 36.131 1.00 -0.04 C HETATM 2060 CD2 PHE A 129 6.780 14.317 35.700 1.00 -0.06 C HETATM 2061 CE2 PHE A 129 5.818 13.328 35.896 1.00 -0.07 C HETATM 2062 CZ PHE A 129 6.164 12.139 36.526 1.00 -0.07 C HETATM 2063 CE1 PHE A 129 7.473 11.944 36.959 1.00 -0.07 C HETATM 2064 CD1 PHE A 129 8.428 12.940 36.760 1.00 -0.06 C HETATM 2065 H7 PHE A 129 9.445 12.782 37.100 1.00 0.06 H HETATM 2066 H9 PHE A 129 7.749 11.018 37.451 1.00 0.06 H HETATM 2067 H11 PHE A 129 5.419 11.367 36.680 1.00 0.06 H HETATM 2068 H10 PHE A 129 4.801 13.486 35.557 1.00 0.06 H HETATM 2069 H8 PHE A 129 6.504 15.241 35.206 1.00 0.06 H HETATM 2070 H5 PHE A 129 9.986 14.778 35.419 1.00 0.05 H HETATM 2071 H6 PHE A 129 8.675 16.000 35.302 1.00 0.05 H HETATM 2072 H4 PHE A 129 10.541 15.387 37.556 1.00 0.11 H HETATM 2073 H1 PHE A 129 8.417 14.729 38.483 1.00 0.20 H HETATM 2074 H2 PHE A 129 7.713 16.140 38.009 1.00 0.20 H HETATM 2075 H3 PHE A 129 8.900 16.155 39.149 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1750 CONECT 424 423 640 CONECT 630 629 1399 CONECT 640 424 639 CONECT 714 713 1845 CONECT 724 723 1306 CONECT 821 820 1199 CONECT 1120 1119 1281 CONECT 1199 821 1198 CONECT 1281 1120 1280 CONECT 1306 724 1305 CONECT 1399 630 1398 CONECT 1750 393 1749 CONECT 1845 714 1844 CONECT 1980 1981 2073 2074 2075 CONECT 1981 1980 1982 2058 2072 CONECT 1982 1981 1983 1984 CONECT 1983 1982 CONECT 1984 1982 1985 2057 CONECT 1985 1984 1986 2043 2056 CONECT 1986 1985 1987 1988 CONECT 1987 1986 CONECT 1988 1986 1989 2042 CONECT 1989 1988 1990 2036 2041 CONECT 1990 1989 1991 1992 CONECT 1991 1990 CONECT 1992 1990 1993 2035 CONECT 1993 1992 1994 2019 2034 CONECT 1994 1993 1995 1996 CONECT 1995 1994 CONECT 1996 1994 1997 2018 CONECT 1997 1996 1998 2001 2017 CONECT 1998 1997 1999 2000 CONECT 1999 1998 CONECT 2000 1998 CONECT 2001 1997 2002 2015 2016 CONECT 2002 2001 2003 2013 2014 CONECT 2003 2002 2004 2011 2012 CONECT 2004 2003 2005 2009 2010 CONECT 2005 2004 2006 2007 2008 CONECT 2006 2005 CONECT 2007 2005 CONECT 2008 2005 CONECT 2009 2004 CONECT 2010 2004 CONECT 2011 2003 CONECT 2012 2003 CONECT 2013 2002 CONECT 2014 2002 CONECT 2015 2001 CONECT 2016 2001 CONECT 2017 1997 CONECT 2018 1996 CONECT 2019 1993 2020 2032 2033 CONECT 2020 2019 2021 2025 CONECT 2021 2020 2022 2031 CONECT 2022 2021 2023 2030 CONECT 2023 2022 2024 2028 CONECT 2024 2023 2025 2027 CONECT 2025 2020 2024 2026 CONECT 2026 2025 CONECT 2027 2024 CONECT 2028 2023 2029 CONECT 2029 2028 CONECT 2030 2022 CONECT 2031 2021 CONECT 2032 2019 CONECT 2033 2019 CONECT 2034 1993 CONECT 2035 1992 CONECT 2036 1989 2037 2039 2040 CONECT 2037 2036 2038 CONECT 2038 2037 CONECT 2039 2036 CONECT 2040 2036 CONECT 2041 1989 CONECT 2042 1988 CONECT 2043 1985 2044 2054 2055 CONECT 2044 2043 2045 2049 2053 CONECT 2045 2044 2046 2047 2048 CONECT 2046 2045 CONECT 2047 2045 CONECT 2048 2045 CONECT 2049 2044 2050 2051 2052 CONECT 2050 2049 CONECT 2051 2049 CONECT 2052 2049 CONECT 2053 2044 CONECT 2054 2043 CONECT 2055 2043 CONECT 2056 1985 CONECT 2057 1984 CONECT 2058 1981 2059 2070 2071 CONECT 2059 2058 2060 2064 CONECT 2060 2059 2061 2069 CONECT 2061 2060 2062 2068 CONECT 2062 2061 2063 2067 CONECT 2063 2062 2064 2066 CONECT 2064 2059 2063 2065 CONECT 2065 2064 CONECT 2066 2063 CONECT 2067 2062 CONECT 2068 2061 CONECT 2069 2060 CONECT 2070 2058 CONECT 2071 2058 CONECT 2072 1981 CONECT 2073 1980 CONECT 2074 1980 CONECT 2075 1980 MASTER 0 0 0 0 0 0 0 0 2074 1 114 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 1jq9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1fv0
RCSB PDB
PDBbind
121aa, >1FV0_1|Chains... *
1jq8
RCSB PDB
PDBbind
121aa, >1JQ8_1|Chains... at 100%
1kpm
RCSB PDB
PDBbind
121aa, >1KPM_1|Chains... at 100%
1q7a
RCSB PDB
PDBbind
121aa, >1Q7A_1|Chain... at 100%
1sv3
RCSB PDB
PDBbind
121aa, >1SV3_1|Chain... at 100%
2arm
RCSB PDB
PDBbind
121aa, >2ARM_1|Chain... at 100%
2b17
RCSB PDB
PDBbind
121aa, >2B17_1|Chain... at 100%
3h1x
RCSB PDB
PDBbind
121aa, >3H1X_1|Chain... at 100%
4qem
RCSB PDB
PDBbind
121aa, >4QEM_1|Chain... at 100%
4qer
RCSB PDB
PDBbind
121aa, >4QER_1|Chain... at 100%
4qf7
RCSB PDB
PDBbind
121aa, >4QF7_1|Chain... at 100%
4qf8
RCSB PDB
PDBbind
121aa, >4QF8_1|Chain... at 100%
4qgd
RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
1jq9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
phospholipase a2
Ligand Name
5-mer
EC.Number
E.C.3.1.1.4
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=3.57nM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
J.BIOL.CHEM. v277 pp. 41079-85, 2002
Ligand Properties
Formula
C
3
3
H
5
0
N
6
O
8
Molecular Weight
658.785
Exact Mass
658.369
No. of atoms
97
No. of bonds
98
Polar Surface Area
249.44
LOGP Value
-0.27 (
Computed with XLOGP3
)
-0.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH3+])CC(C)C
InChI String
InChI=1S/C33H48N6O8/c1-20(2)16-26(37-29(42)24(35)17-21-8-4-3-5-9-21)30(43)39-28(19-40)32(45)38-27(18-22-11-13-23(41)14-12-22)31(44)36-25(33(46)47)10-6-7-15-34/h3-5,8-9,11-14,20,24-28,40-41H,6-7,10,15-19,34-35H2,1-2H3,(H,36,44)(H,37,42)(H,38,45)(H,39,43)(H,46,47)/p+2/t24-,25-,26-,27-,28-/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):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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