Browse entries in the PDBbind-CN Database
HEADER 2ARM_COMPLEX COMPND 2ARM_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 OIN A 369 45 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 84 CYS A 96 SSBOND 3 CYS A 51 CYS A 98 SSBOND 4 CYS A 44 CYS A 105 SSBOND 5 CYS A 27 CYS A 126 SSBOND 6 CYS A 50 CYS A 133 ATOM 1 N SER A 1 13.374 15.228 5.881 1.00 11.69 N ATOM 2 CA SER A 1 12.578 15.279 4.619 1.00 12.14 C ATOM 3 C SER A 1 11.240 15.956 4.907 1.00 12.21 C ATOM 4 O SER A 1 10.792 16.006 6.055 1.00 11.75 O ATOM 5 CB SER A 1 12.318 13.878 4.086 1.00 12.29 C ATOM 6 OG SER A 1 11.384 13.227 4.921 1.00 12.99 O ATOM 7 HA SER A 1 13.140 15.839 3.871 1.00 0.00 H ATOM 8 HB2 SER A 1 13.251 13.314 4.073 1.00 0.00 H ATOM 9 HB3 SER A 1 11.919 13.941 3.073 1.00 0.00 H ATOM 10 HG SER A 1 11.214 12.315 4.575 1.00 0.00 H ATOM 11 HN3 SER A 1 12.851 14.685 6.598 1.00 0.00 H ATOM 12 HN2 SER A 1 13.535 16.195 6.227 1.00 0.00 H ATOM 13 HN1 SER A 1 14.288 14.768 5.695 1.00 0.00 H ATOM 14 N LEU A 2 10.653 16.566 3.892 1.00 12.84 N ATOM 15 CA LEU A 2 9.321 17.155 3.987 1.00 13.73 C ATOM 16 C LEU A 2 8.265 16.244 4.622 1.00 13.87 C ATOM 17 O LEU A 2 7.477 16.699 5.449 1.00 13.67 O ATOM 18 CB LEU A 2 8.860 17.610 2.603 1.00 14.41 C ATOM 19 CG LEU A 2 7.567 18.419 2.566 1.00 16.01 C ATOM 20 CD1 LEU A 2 7.666 19.678 3.410 1.00 17.63 C ATOM 21 CD2 LEU A 2 7.229 18.765 1.123 1.00 17.81 C ATOM 22 HA LEU A 2 9.416 18.005 4.663 1.00 0.00 H ATOM 23 HB2 LEU A 2 9.651 18.224 2.172 1.00 0.00 H ATOM 24 HB3 LEU A 2 8.716 16.721 1.989 1.00 0.00 H ATOM 25 HG LEU A 2 6.769 17.811 2.992 1.00 0.00 H ATOM 26 HD21 LEU A 2 8.040 19.353 0.692 1.00 0.00 H ATOM 27 HD22 LEU A 2 7.101 17.846 0.551 1.00 0.00 H ATOM 28 HD23 LEU A 2 6.305 19.343 1.096 1.00 0.00 H ATOM 29 HD11 LEU A 2 7.870 19.405 4.445 1.00 0.00 H ATOM 30 HD12 LEU A 2 8.474 20.305 3.032 1.00 0.00 H ATOM 31 HD13 LEU A 2 6.725 20.225 3.356 1.00 0.00 H ATOM 32 H LEU A 2 11.162 16.629 2.987 1.00 0.00 H ATOM 33 N LEU A 3 8.231 14.970 4.243 1.00 13.80 N ATOM 34 CA LEU A 3 7.262 14.047 4.838 1.00 14.55 C ATOM 35 C LEU A 3 7.502 13.860 6.331 1.00 13.84 C ATOM 36 O LEU A 3 6.550 13.808 7.120 1.00 13.93 O ATOM 37 CB LEU A 3 7.288 12.690 4.140 1.00 15.37 C ATOM 38 CG LEU A 3 6.367 12.557 2.933 1.00 19.05 C ATOM 39 CD1 LEU A 3 6.557 11.201 2.304 1.00 20.79 C ATOM 40 CD2 LEU A 3 4.919 12.756 3.348 1.00 20.77 C ATOM 41 HA LEU A 3 6.278 14.496 4.701 1.00 0.00 H ATOM 42 HB2 LEU A 3 8.309 12.503 3.807 1.00 0.00 H ATOM 43 HB3 LEU A 3 7.000 11.932 4.868 1.00 0.00 H ATOM 44 HG LEU A 3 6.618 13.326 2.202 1.00 0.00 H ATOM 45 HD21 LEU A 3 4.647 12.003 4.087 1.00 0.00 H ATOM 46 HD22 LEU A 3 4.799 13.750 3.779 1.00 0.00 H ATOM 47 HD23 LEU A 3 4.275 12.658 2.474 1.00 0.00 H ATOM 48 HD11 LEU A 3 7.594 11.092 1.985 1.00 0.00 H ATOM 49 HD12 LEU A 3 6.316 10.427 3.033 1.00 0.00 H ATOM 50 HD13 LEU A 3 5.898 11.107 1.441 1.00 0.00 H ATOM 51 H LEU A 3 8.896 14.627 3.520 1.00 0.00 H ATOM 52 N GLU A 4 8.771 13.756 6.723 1.00 13.50 N ATOM 53 CA GLU A 4 9.123 13.616 8.132 1.00 13.06 C ATOM 54 C GLU A 4 8.727 14.868 8.899 1.00 12.36 C ATOM 55 O GLU A 4 8.223 14.790 10.007 1.00 12.87 O ATOM 56 CB GLU A 4 10.623 13.395 8.287 1.00 13.45 C ATOM 57 CG GLU A 4 11.084 11.982 8.030 1.00 14.70 C ATOM 58 CD GLU A 4 12.583 11.860 7.807 1.00 14.14 C ATOM 59 OE1 GLU A 4 13.338 12.876 7.899 1.00 13.08 O ATOM 60 OE2 GLU A 4 13.005 10.694 7.585 1.00 16.54 O ATOM 61 HA GLU A 4 8.587 12.755 8.532 1.00 0.00 H ATOM 62 HB2 GLU A 4 11.137 14.053 7.586 1.00 0.00 H ATOM 63 HB3 GLU A 4 10.902 13.663 9.306 1.00 0.00 H ATOM 64 HG2 GLU A 4 10.813 11.369 8.890 1.00 0.00 H ATOM 65 HG3 GLU A 4 10.572 11.609 7.143 1.00 0.00 H ATOM 66 H GLU A 4 9.527 13.775 6.009 1.00 0.00 H ATOM 67 N PHE A 5 8.979 16.028 8.317 1.00 11.39 N ATOM 68 CA PHE A 5 8.612 17.302 8.928 1.00 11.28 C ATOM 69 C PHE A 5 7.093 17.327 9.138 1.00 11.32 C ATOM 70 O PHE A 5 6.613 17.747 10.192 1.00 11.46 O ATOM 71 CB PHE A 5 9.080 18.467 8.027 1.00 11.17 C ATOM 72 CG PHE A 5 8.805 19.857 8.568 1.00 11.59 C ATOM 73 CD1 PHE A 5 8.951 20.165 9.919 1.00 11.57 C ATOM 74 CD2 PHE A 5 8.437 20.862 7.695 1.00 12.34 C ATOM 75 CE1 PHE A 5 8.718 21.441 10.371 1.00 11.98 C ATOM 76 CE2 PHE A 5 8.212 22.144 8.136 1.00 13.11 C ATOM 77 CZ PHE A 5 8.362 22.435 9.486 1.00 12.22 C ATOM 78 HA PHE A 5 9.100 17.417 9.896 1.00 0.00 H ATOM 79 HB2 PHE A 5 10.156 18.369 7.881 1.00 0.00 H ATOM 80 HB3 PHE A 5 8.574 18.374 7.066 1.00 0.00 H ATOM 81 HD2 PHE A 5 8.323 20.634 6.635 1.00 0.00 H ATOM 82 HE2 PHE A 5 7.919 22.924 7.434 1.00 0.00 H ATOM 83 HZ PHE A 5 8.198 23.451 9.845 1.00 0.00 H ATOM 84 HE1 PHE A 5 8.815 21.668 11.433 1.00 0.00 H ATOM 85 HD1 PHE A 5 9.252 19.388 10.622 1.00 0.00 H ATOM 86 H PHE A 5 9.455 16.033 7.392 1.00 0.00 H ATOM 87 N GLY A 6 6.342 16.861 8.146 1.00 11.38 N ATOM 88 CA GLY A 6 4.891 16.819 8.247 1.00 11.85 C ATOM 89 C GLY A 6 4.437 15.926 9.387 1.00 12.16 C ATOM 90 O GLY A 6 3.502 16.275 10.124 1.00 12.26 O ATOM 91 HA3 GLY A 6 4.482 16.436 7.312 1.00 0.00 H ATOM 92 HA2 GLY A 6 4.518 17.829 8.418 1.00 0.00 H ATOM 93 H GLY A 6 6.801 16.519 7.278 1.00 0.00 H ATOM 94 N LYS A 7 5.095 14.798 9.576 1.00 12.44 N ATOM 95 CA LYS A 7 4.731 13.887 10.670 1.00 13.20 C ATOM 96 C LYS A 7 5.054 14.534 12.017 1.00 12.74 C ATOM 97 O LYS A 7 4.273 14.449 12.973 1.00 13.21 O ATOM 98 CB LYS A 7 5.462 12.551 10.508 1.00 13.76 C ATOM 99 CG LYS A 7 5.342 11.618 11.695 1.00 16.92 C ATOM 100 CD LYS A 7 6.092 10.309 11.447 1.00 19.98 C ATOM 101 CE LYS A 7 6.227 9.476 12.719 1.00 22.59 C ATOM 102 NZ LYS A 7 7.419 9.847 13.534 1.00 25.23 N ATOM 103 HA LYS A 7 3.659 13.691 10.635 1.00 0.00 H ATOM 104 HB2 LYS A 7 5.054 12.044 9.634 1.00 0.00 H ATOM 105 HB3 LYS A 7 6.519 12.759 10.345 1.00 0.00 H ATOM 106 HG2 LYS A 7 5.760 12.106 12.575 1.00 0.00 H ATOM 107 HG3 LYS A 7 4.289 11.397 11.869 1.00 0.00 H ATOM 108 HD2 LYS A 7 5.549 9.728 10.702 1.00 0.00 H ATOM 109 HD3 LYS A 7 7.088 10.540 11.070 1.00 0.00 H ATOM 110 HE2 LYS A 7 6.310 8.426 12.440 1.00 0.00 H ATOM 111 HE3 LYS A 7 5.333 9.620 13.325 1.00 0.00 H ATOM 112 HZ1 LYS A 7 8.281 9.705 12.970 1.00 0.00 H ATOM 113 HZ2 LYS A 7 7.348 10.846 13.816 1.00 0.00 H ATOM 114 HZ3 LYS A 7 7.457 9.248 14.383 1.00 0.00 H ATOM 115 H LYS A 7 5.882 14.550 8.942 1.00 0.00 H ATOM 116 N MET A 8 6.196 15.210 12.083 1.00 12.15 N ATOM 117 CA MET A 8 6.604 15.918 13.285 1.00 11.78 C ATOM 118 C MET A 8 5.598 17.030 13.640 1.00 11.68 C ATOM 119 O MET A 8 5.260 17.233 14.813 1.00 12.15 O ATOM 120 CB MET A 8 8.007 16.500 13.079 1.00 11.80 C ATOM 121 CG MET A 8 8.598 17.120 14.318 1.00 11.65 C ATOM 122 SD MET A 8 10.207 17.938 14.018 1.00 11.74 S ATOM 123 CE MET A 8 11.313 16.533 13.783 1.00 12.54 C ATOM 124 HA MET A 8 6.625 15.217 14.119 1.00 0.00 H ATOM 125 HB2 MET A 8 8.667 15.698 12.748 1.00 0.00 H ATOM 126 HB3 MET A 8 7.951 17.265 12.305 1.00 0.00 H ATOM 127 HG2 MET A 8 8.741 16.337 15.063 1.00 0.00 H ATOM 128 HG3 MET A 8 7.898 17.862 14.702 1.00 0.00 H ATOM 129 HE1 MET A 8 11.310 15.916 14.682 1.00 0.00 H ATOM 130 HE2 MET A 8 10.971 15.942 12.934 1.00 0.00 H ATOM 131 HE3 MET A 8 12.323 16.895 13.592 1.00 0.00 H ATOM 132 H MET A 8 6.817 15.233 11.249 1.00 0.00 H ATOM 133 N ILE A 9 5.142 17.759 12.631 1.00 11.71 N ATOM 134 CA ILE A 9 4.136 18.802 12.827 1.00 11.94 C ATOM 135 C ILE A 9 2.840 18.208 13.399 1.00 11.65 C ATOM 136 O ILE A 9 2.272 18.746 14.363 1.00 11.90 O ATOM 137 CB ILE A 9 3.853 19.547 11.503 1.00 11.88 C ATOM 138 CG1 ILE A 9 5.070 20.373 11.084 1.00 11.99 C ATOM 139 CG2 ILE A 9 2.627 20.448 11.640 1.00 12.67 C ATOM 140 CD1 ILE A 9 5.028 20.827 9.632 1.00 11.47 C ATOM 141 HA ILE A 9 4.530 19.520 13.546 1.00 0.00 H ATOM 142 HB ILE A 9 3.651 18.804 10.732 1.00 0.00 H ATOM 143 HG12 ILE A 9 5.123 21.257 11.720 1.00 0.00 H ATOM 144 HG13 ILE A 9 5.965 19.768 11.230 1.00 0.00 H ATOM 145 HD11 ILE A 9 4.987 19.954 8.981 1.00 0.00 H ATOM 146 HD12 ILE A 9 4.144 21.444 9.471 1.00 0.00 H ATOM 147 HD13 ILE A 9 5.923 21.407 9.408 1.00 0.00 H ATOM 148 HG21 ILE A 9 1.758 19.841 11.895 1.00 0.00 H ATOM 149 HG22 ILE A 9 2.803 21.182 12.427 1.00 0.00 H ATOM 150 HG23 ILE A 9 2.448 20.962 10.695 1.00 0.00 H ATOM 151 H ILE A 9 5.510 17.584 11.674 1.00 0.00 H ATOM 152 N LEU A 10 2.358 17.112 12.814 1.00 12.08 N ATOM 153 CA LEU A 10 1.135 16.469 13.299 1.00 12.89 C ATOM 154 C LEU A 10 1.326 15.986 14.745 1.00 13.25 C ATOM 155 O LEU A 10 0.463 16.205 15.605 1.00 13.53 O ATOM 156 CB LEU A 10 0.720 15.326 12.366 1.00 13.61 C ATOM 157 CG LEU A 10 -0.476 14.487 12.833 1.00 14.64 C ATOM 158 CD1 LEU A 10 -1.736 15.333 12.971 1.00 15.85 C ATOM 159 CD2 LEU A 10 -0.704 13.334 11.868 1.00 16.49 C ATOM 160 HA LEU A 10 0.325 17.199 13.298 1.00 0.00 H ATOM 161 HB2 LEU A 10 0.468 15.758 11.398 1.00 0.00 H ATOM 162 HB3 LEU A 10 1.574 14.658 12.253 1.00 0.00 H ATOM 163 HG LEU A 10 -0.247 14.087 13.821 1.00 0.00 H ATOM 164 HD21 LEU A 10 -0.907 13.730 10.873 1.00 0.00 H ATOM 165 HD22 LEU A 10 0.187 12.707 11.836 1.00 0.00 H ATOM 166 HD23 LEU A 10 -1.555 12.742 12.206 1.00 0.00 H ATOM 167 HD11 LEU A 10 -1.563 16.123 13.702 1.00 0.00 H ATOM 168 HD12 LEU A 10 -1.982 15.776 12.006 1.00 0.00 H ATOM 169 HD13 LEU A 10 -2.561 14.703 13.304 1.00 0.00 H ATOM 170 H LEU A 10 2.859 16.706 11.998 1.00 0.00 H ATOM 171 N GLU A 11 2.454 15.349 15.034 1.00 13.91 N ATOM 172 CA GLU A 11 2.744 14.885 16.390 1.00 14.59 C ATOM 173 C GLU A 11 2.705 16.023 17.394 1.00 13.91 C ATOM 174 O GLU A 11 2.181 15.886 18.501 1.00 14.18 O ATOM 175 CB GLU A 11 4.154 14.303 16.472 1.00 15.22 C ATOM 176 CG GLU A 11 4.325 12.913 15.911 1.00 17.58 C ATOM 177 CD GLU A 11 5.781 12.476 15.831 1.00 19.47 C ATOM 178 OE1 GLU A 11 6.713 13.312 15.999 1.00 18.76 O ATOM 179 OE2 GLU A 11 5.993 11.276 15.585 1.00 22.54 O ATOM 180 HA GLU A 11 1.984 14.139 16.621 1.00 0.00 H ATOM 181 HB2 GLU A 11 4.823 14.969 15.926 1.00 0.00 H ATOM 182 HB3 GLU A 11 4.445 14.278 17.522 1.00 0.00 H ATOM 183 HG2 GLU A 11 3.787 12.212 16.549 1.00 0.00 H ATOM 184 HG3 GLU A 11 3.900 12.889 14.908 1.00 0.00 H ATOM 185 H GLU A 11 3.148 15.176 14.279 1.00 0.00 H ATOM 186 N GLU A 12 3.291 17.148 17.018 1.00 13.33 N ATOM 187 CA GLU A 12 3.430 18.264 17.929 1.00 13.19 C ATOM 188 C GLU A 12 2.116 19.027 18.137 1.00 13.07 C ATOM 189 O GLU A 12 1.761 19.350 19.276 1.00 13.66 O ATOM 190 CB GLU A 12 4.533 19.209 17.419 1.00 13.44 C ATOM 191 CG GLU A 12 5.168 20.065 18.496 1.00 14.94 C ATOM 192 CD GLU A 12 6.144 19.312 19.392 1.00 15.57 C ATOM 193 OE1 GLU A 12 6.654 19.942 20.339 1.00 19.25 O ATOM 194 OE2 GLU A 12 6.412 18.114 19.188 1.00 15.71 O ATOM 195 HA GLU A 12 3.709 17.862 18.903 1.00 0.00 H ATOM 196 HB2 GLU A 12 5.314 18.605 16.958 1.00 0.00 H ATOM 197 HB3 GLU A 12 4.097 19.870 16.670 1.00 0.00 H ATOM 198 HG2 GLU A 12 5.706 20.881 18.013 1.00 0.00 H ATOM 199 HG3 GLU A 12 4.374 20.474 19.121 1.00 0.00 H ATOM 200 H GLU A 12 3.659 17.232 16.049 1.00 0.00 H ATOM 201 N THR A 13 1.402 19.297 17.043 1.00 12.88 N ATOM 202 CA THR A 13 0.236 20.187 17.075 1.00 13.58 C ATOM 203 C THR A 13 -1.133 19.538 16.984 1.00 13.97 C ATOM 204 O THR A 13 -2.126 20.169 17.350 1.00 15.22 O ATOM 205 CB THR A 13 0.296 21.197 15.920 1.00 13.18 C ATOM 206 OG1 THR A 13 0.105 20.512 14.667 1.00 12.97 O ATOM 207 CG2 THR A 13 1.654 21.891 15.835 1.00 14.26 C ATOM 208 HA THR A 13 0.317 20.634 18.066 1.00 0.00 H ATOM 209 HB THR A 13 -0.484 21.935 16.108 1.00 0.00 H ATOM 210 HG1 THR A 13 0.818 19.835 14.550 1.00 0.00 H ATOM 211 HG23 THR A 13 1.846 22.426 16.765 1.00 0.00 H ATOM 212 HG21 THR A 13 2.433 21.145 15.677 1.00 0.00 H ATOM 213 HG22 THR A 13 1.649 22.595 15.003 1.00 0.00 H ATOM 214 H THR A 13 1.680 18.863 16.140 1.00 0.00 H ATOM 215 N GLY A 14 -1.214 18.321 16.459 1.00 14.67 N ATOM 216 CA GLY A 14 -2.469 17.665 16.264 1.00 15.34 C ATOM 217 C GLY A 14 -3.116 18.102 14.951 1.00 16.20 C ATOM 218 O GLY A 14 -4.221 17.665 14.627 1.00 16.73 O ATOM 219 HA3 GLY A 14 -3.135 17.915 17.090 1.00 0.00 H ATOM 220 HA2 GLY A 14 -2.309 16.587 16.241 1.00 0.00 H ATOM 221 H GLY A 14 -0.339 17.831 16.182 1.00 0.00 H ATOM 222 N LYS A 16 -2.430 18.989 14.192 1.00 15.68 N ATOM 223 CA LYS A 16 -2.880 19.524 12.881 1.00 15.54 C ATOM 224 C LYS A 16 -2.105 18.849 11.716 1.00 15.54 C ATOM 225 O LYS A 16 -0.896 18.657 11.827 1.00 15.72 O ATOM 226 CB LYS A 16 -2.670 21.045 12.811 1.00 15.40 C ATOM 227 CG LYS A 16 -3.707 21.887 13.532 1.00 16.37 C ATOM 228 CD LYS A 16 -3.439 23.368 13.300 1.00 17.17 C ATOM 229 CE LYS A 16 -4.367 24.232 14.136 1.00 17.89 C ATOM 230 NZ LYS A 16 -5.776 24.150 13.676 1.00 19.74 N ATOM 231 HA LYS A 16 -3.943 19.303 12.783 1.00 0.00 H ATOM 232 HB2 LYS A 16 -1.696 21.269 13.245 1.00 0.00 H ATOM 233 HB3 LYS A 16 -2.674 21.336 11.761 1.00 0.00 H ATOM 234 HG2 LYS A 16 -4.699 21.637 13.155 1.00 0.00 H ATOM 235 HG3 LYS A 16 -3.662 21.676 14.600 1.00 0.00 H ATOM 236 HD2 LYS A 16 -2.407 23.589 13.571 1.00 0.00 H ATOM 237 HD3 LYS A 16 -3.594 23.597 12.246 1.00 0.00 H ATOM 238 HE2 LYS A 16 -4.036 25.268 14.071 1.00 0.00 H ATOM 239 HE3 LYS A 16 -4.316 23.900 15.173 1.00 0.00 H ATOM 240 HZ1 LYS A 16 -5.836 24.472 12.689 1.00 0.00 H ATOM 241 HZ2 LYS A 16 -6.104 23.165 13.742 1.00 0.00 H ATOM 242 HZ3 LYS A 16 -6.371 24.756 14.276 1.00 0.00 H ATOM 243 H LYS A 16 -1.515 19.323 14.556 1.00 0.00 H ATOM 244 N LEU A 17 -2.776 18.487 10.624 1.00 15.60 N ATOM 245 CA LEU A 17 -2.106 17.934 9.455 1.00 15.92 C ATOM 246 C LEU A 17 -1.312 19.038 8.763 1.00 15.48 C ATOM 247 O LEU A 17 -1.830 20.121 8.500 1.00 15.37 O ATOM 248 CB LEU A 17 -3.134 17.358 8.481 1.00 16.31 C ATOM 249 CG LEU A 17 -3.843 16.092 8.946 1.00 18.09 C ATOM 250 CD1 LEU A 17 -5.076 15.830 8.083 1.00 19.47 C ATOM 251 CD2 LEU A 17 -2.913 14.887 8.928 1.00 19.25 C ATOM 252 HA LEU A 17 -1.434 17.136 9.771 1.00 0.00 H ATOM 253 HB2 LEU A 17 -3.892 18.121 8.302 1.00 0.00 H ATOM 254 HB3 LEU A 17 -2.621 17.132 7.546 1.00 0.00 H ATOM 255 HG LEU A 17 -4.158 16.247 9.978 1.00 0.00 H ATOM 256 HD21 LEU A 17 -2.550 14.725 7.913 1.00 0.00 H ATOM 257 HD22 LEU A 17 -2.068 15.072 9.592 1.00 0.00 H ATOM 258 HD23 LEU A 17 -3.457 14.005 9.266 1.00 0.00 H ATOM 259 HD11 LEU A 17 -5.761 16.674 8.165 1.00 0.00 H ATOM 260 HD12 LEU A 17 -4.771 15.707 7.044 1.00 0.00 H ATOM 261 HD13 LEU A 17 -5.572 14.923 8.427 1.00 0.00 H ATOM 262 H LEU A 17 -3.809 18.603 10.605 1.00 0.00 H ATOM 263 N ALA A 18 -0.058 18.741 8.426 1.00 15.40 N ATOM 264 CA ALA A 18 0.815 19.723 7.785 1.00 15.58 C ATOM 265 C ALA A 18 0.165 20.241 6.503 1.00 15.88 C ATOM 266 O ALA A 18 0.182 21.435 6.240 1.00 15.93 O ATOM 267 CB ALA A 18 2.183 19.114 7.507 1.00 15.68 C ATOM 268 HA ALA A 18 0.959 20.568 8.458 1.00 0.00 H ATOM 269 HB1 ALA A 18 2.635 18.795 8.446 1.00 0.00 H ATOM 270 HB2 ALA A 18 2.069 18.254 6.847 1.00 0.00 H ATOM 271 HB3 ALA A 18 2.820 19.858 7.030 1.00 0.00 H ATOM 272 H ALA A 18 0.309 17.788 8.624 1.00 0.00 H ATOM 273 N ILE A 19 -0.374 19.323 5.696 1.00 16.09 N ATOM 274 CA ILE A 19 -1.234 19.669 4.558 1.00 17.45 C ATOM 275 C ILE A 19 -2.656 19.347 5.066 1.00 17.79 C ATOM 276 O ILE A 19 -2.950 18.176 5.316 1.00 18.06 O ATOM 277 CB ILE A 19 -0.921 18.798 3.311 1.00 17.39 C ATOM 278 CG1 ILE A 19 0.560 18.866 2.931 1.00 19.15 C ATOM 279 CG2 ILE A 19 -1.787 19.232 2.119 1.00 17.83 C ATOM 280 CD1 ILE A 19 0.982 17.773 1.970 1.00 21.23 C ATOM 281 HA ILE A 19 -1.096 20.705 4.247 1.00 0.00 H ATOM 282 HB ILE A 19 -1.156 17.765 3.568 1.00 0.00 H ATOM 283 HG12 ILE A 19 0.754 19.832 2.464 1.00 0.00 H ATOM 284 HG13 ILE A 19 1.155 18.777 3.840 1.00 0.00 H ATOM 285 HD11 ILE A 19 0.804 16.800 2.428 1.00 0.00 H ATOM 286 HD12 ILE A 19 0.402 17.855 1.051 1.00 0.00 H ATOM 287 HD13 ILE A 19 2.043 17.880 1.743 1.00 0.00 H ATOM 288 HG21 ILE A 19 -2.840 19.117 2.376 1.00 0.00 H ATOM 289 HG22 ILE A 19 -1.581 20.276 1.883 1.00 0.00 H ATOM 290 HG23 ILE A 19 -1.553 18.610 1.255 1.00 0.00 H ATOM 291 H ILE A 19 -0.176 18.319 5.882 1.00 0.00 H ATOM 292 N PRO A 20 -3.577 20.305 5.163 1.00 18.12 N ATOM 293 CA PRO A 20 -3.471 21.684 4.697 1.00 17.97 C ATOM 294 C PRO A 20 -3.236 22.783 5.726 1.00 17.49 C ATOM 295 O PRO A 20 -3.299 23.953 5.329 1.00 18.19 O ATOM 296 CB PRO A 20 -4.882 21.906 4.168 1.00 18.23 C ATOM 297 CG PRO A 20 -5.729 21.250 5.256 1.00 18.98 C ATOM 298 CD PRO A 20 -4.917 20.046 5.727 1.00 18.12 C ATOM 299 HA PRO A 20 -2.608 21.764 4.036 1.00 0.00 H ATOM 300 HD3 PRO A 20 -4.882 19.999 6.815 1.00 0.00 H ATOM 301 HD2 PRO A 20 -5.333 19.117 5.338 1.00 0.00 H ATOM 302 HG3 PRO A 20 -6.689 20.929 4.852 1.00 0.00 H ATOM 303 HG2 PRO A 20 -5.897 21.944 6.080 1.00 0.00 H ATOM 304 HB2 PRO A 20 -5.109 22.968 4.074 1.00 0.00 H ATOM 305 HB3 PRO A 20 -5.026 21.418 3.204 1.00 0.00 H ATOM 306 N SER A 21 -2.974 22.465 6.986 1.00 16.24 N ATOM 307 CA SER A 21 -2.876 23.529 7.984 1.00 15.81 C ATOM 308 C SER A 21 -1.658 24.437 7.844 1.00 15.50 C ATOM 309 O SER A 21 -1.730 25.607 8.200 1.00 15.33 O ATOM 310 CB SER A 21 -2.924 22.954 9.400 1.00 15.86 C ATOM 311 OG SER A 21 -4.201 22.398 9.644 1.00 16.78 O ATOM 312 HA SER A 21 -3.745 24.160 7.796 1.00 0.00 H ATOM 313 HB2 SER A 21 -2.730 23.748 10.121 1.00 0.00 H ATOM 314 HB3 SER A 21 -2.165 22.179 9.503 1.00 0.00 H ATOM 315 HG SER A 21 -4.890 23.103 9.551 1.00 0.00 H ATOM 316 H SER A 21 -2.840 21.471 7.261 1.00 0.00 H ATOM 317 N TYR A 22 -0.541 23.901 7.355 1.00 15.34 N ATOM 318 CA TYR A 22 0.726 24.645 7.302 1.00 15.94 C ATOM 319 C TYR A 22 1.422 24.646 5.934 1.00 16.53 C ATOM 320 O TYR A 22 2.572 25.088 5.812 1.00 17.94 O ATOM 321 CB TYR A 22 1.695 24.043 8.322 1.00 15.64 C ATOM 322 CG TYR A 22 1.253 24.222 9.763 1.00 14.12 C ATOM 323 CD1 TYR A 22 1.367 25.459 10.395 1.00 14.21 C ATOM 324 CD2 TYR A 22 0.734 23.163 10.491 1.00 13.76 C ATOM 325 CE1 TYR A 22 0.970 25.630 11.706 1.00 14.14 C ATOM 326 CE2 TYR A 22 0.336 23.326 11.798 1.00 13.26 C ATOM 327 CZ TYR A 22 0.459 24.566 12.409 1.00 12.73 C ATOM 328 OH TYR A 22 0.071 24.732 13.723 1.00 13.73 O ATOM 329 HA TYR A 22 0.467 25.681 7.520 1.00 0.00 H ATOM 330 HB3 TYR A 22 2.667 24.521 8.198 1.00 0.00 H ATOM 331 HB2 TYR A 22 1.788 22.976 8.120 1.00 0.00 H ATOM 332 HD2 TYR A 22 0.640 22.184 10.020 1.00 0.00 H ATOM 333 HE2 TYR A 22 -0.075 22.483 12.353 1.00 0.00 H ATOM 334 HE1 TYR A 22 1.062 26.606 12.182 1.00 0.00 H ATOM 335 HD1 TYR A 22 1.777 26.306 9.845 1.00 0.00 H ATOM 336 HH TYR A 22 0.226 25.671 13.996 1.00 0.00 H ATOM 337 H TYR A 22 -0.566 22.924 6.999 1.00 0.00 H ATOM 338 N SER A 23 0.743 24.145 4.909 1.00 16.83 N ATOM 339 CA SER A 23 1.342 24.032 3.577 1.00 17.36 C ATOM 340 C SER A 23 1.104 25.254 2.685 1.00 17.26 C ATOM 341 O SER A 23 1.773 25.417 1.658 1.00 17.16 O ATOM 342 CB SER A 23 0.805 22.782 2.879 1.00 17.72 C ATOM 343 OG SER A 23 -0.608 22.798 2.844 1.00 20.10 O ATOM 344 HA SER A 23 2.419 23.964 3.729 1.00 0.00 H ATOM 345 HB2 SER A 23 1.140 21.897 3.421 1.00 0.00 H ATOM 346 HB3 SER A 23 1.188 22.749 1.859 1.00 0.00 H ATOM 347 HG SER A 23 -0.916 23.599 2.350 1.00 0.00 H ATOM 348 H SER A 23 -0.236 23.826 5.055 1.00 0.00 H ATOM 349 N SER A 24 0.135 26.088 3.051 1.00 17.01 N ATOM 350 CA SER A 24 -0.205 27.284 2.277 1.00 17.29 C ATOM 351 C SER A 24 -0.632 28.438 3.184 1.00 16.85 C ATOM 352 O SER A 24 -1.473 29.269 2.811 1.00 18.27 O ATOM 353 CB SER A 24 -1.348 26.969 1.311 1.00 17.43 C ATOM 354 OG SER A 24 -2.535 26.651 2.025 1.00 19.29 O ATOM 355 HA SER A 24 0.687 27.584 1.727 1.00 0.00 H ATOM 356 HB2 SER A 24 -1.067 26.120 0.688 1.00 0.00 H ATOM 357 HB3 SER A 24 -1.532 27.837 0.679 1.00 0.00 H ATOM 358 HG SER A 24 -2.372 25.860 2.598 1.00 0.00 H ATOM 359 H SER A 24 -0.401 25.884 3.918 1.00 0.00 H ATOM 360 N TYR A 25 -0.041 28.493 4.369 1.00 15.48 N ATOM 361 CA TYR A 25 -0.412 29.472 5.385 1.00 14.73 C ATOM 362 C TYR A 25 0.399 30.763 5.302 1.00 14.47 C ATOM 363 O TYR A 25 1.631 30.739 5.265 1.00 14.28 O ATOM 364 CB TYR A 25 -0.250 28.819 6.755 1.00 14.63 C ATOM 365 CG TYR A 25 -0.778 29.604 7.938 1.00 13.78 C ATOM 366 CD1 TYR A 25 -0.048 30.641 8.488 1.00 13.82 C ATOM 367 CD2 TYR A 25 -1.968 29.248 8.546 1.00 14.37 C ATOM 368 CE1 TYR A 25 -0.516 31.331 9.607 1.00 13.70 C ATOM 369 CE2 TYR A 25 -2.444 29.931 9.660 1.00 13.67 C ATOM 370 CZ TYR A 25 -1.717 30.962 10.180 1.00 12.92 C ATOM 371 OH TYR A 25 -2.216 31.615 11.289 1.00 13.63 O ATOM 372 HA TYR A 25 -1.448 29.766 5.214 1.00 0.00 H ATOM 373 HB3 TYR A 25 0.814 28.647 6.918 1.00 0.00 H ATOM 374 HB2 TYR A 25 -0.772 27.862 6.731 1.00 0.00 H ATOM 375 HD2 TYR A 25 -2.545 28.415 8.144 1.00 0.00 H ATOM 376 HE2 TYR A 25 -3.392 29.644 10.115 1.00 0.00 H ATOM 377 HE1 TYR A 25 0.062 32.155 10.026 1.00 0.00 H ATOM 378 HD1 TYR A 25 0.906 30.923 8.042 1.00 0.00 H ATOM 379 HH TYR A 25 -1.591 32.335 11.556 1.00 0.00 H ATOM 380 H TYR A 25 0.716 27.813 4.583 1.00 0.00 H ATOM 381 N GLY A 26 -0.296 31.894 5.252 1.00 14.09 N ATOM 382 CA GLY A 26 0.363 33.180 5.227 1.00 14.01 C ATOM 383 C GLY A 26 1.322 33.352 4.072 1.00 13.90 C ATOM 384 O GLY A 26 1.116 32.800 2.983 1.00 13.97 O ATOM 385 HA3 GLY A 26 0.919 33.299 6.157 1.00 0.00 H ATOM 386 HA2 GLY A 26 -0.400 33.956 5.159 1.00 0.00 H ATOM 387 H GLY A 26 -1.335 31.853 5.230 1.00 0.00 H ATOM 388 N CYS A 27 2.384 34.109 4.315 1.00 13.82 N ATOM 389 CA CYS A 27 3.346 34.429 3.274 1.00 14.49 C ATOM 390 C CYS A 27 4.544 33.493 3.203 1.00 14.54 C ATOM 391 O CYS A 27 5.212 33.451 2.168 1.00 15.18 O ATOM 392 CB CYS A 27 3.852 35.868 3.431 1.00 14.09 C ATOM 393 SG CYS A 27 2.547 37.126 3.355 1.00 17.27 S ATOM 394 HA CYS A 27 2.796 34.304 2.341 1.00 0.00 H ATOM 395 HB2 CYS A 27 4.567 36.068 2.633 1.00 0.00 H ATOM 396 HB3 CYS A 27 4.352 35.952 4.396 1.00 0.00 H ATOM 397 H CYS A 27 2.532 34.483 5.274 1.00 0.00 H ATOM 398 N TYR A 28 4.797 32.723 4.264 1.00 14.53 N ATOM 399 CA TYR A 28 6.019 31.917 4.343 1.00 14.79 C ATOM 400 C TYR A 28 5.852 30.420 4.568 1.00 15.44 C ATOM 401 O TYR A 28 6.831 29.677 4.433 1.00 15.58 O ATOM 402 CB TYR A 28 6.951 32.511 5.404 1.00 14.75 C ATOM 403 CG TYR A 28 7.502 33.825 4.929 1.00 14.39 C ATOM 404 CD1 TYR A 28 6.893 35.023 5.274 1.00 14.12 C ATOM 405 CD2 TYR A 28 8.589 33.866 4.071 1.00 15.19 C ATOM 406 CE1 TYR A 28 7.370 36.225 4.811 1.00 15.54 C ATOM 407 CE2 TYR A 28 9.074 35.062 3.597 1.00 15.59 C ATOM 408 CZ TYR A 28 8.461 36.245 3.970 1.00 15.37 C ATOM 409 OH TYR A 28 8.958 37.445 3.501 1.00 16.64 O ATOM 410 HA TYR A 28 6.445 31.975 3.342 1.00 0.00 H ATOM 411 HB3 TYR A 28 7.774 31.820 5.589 1.00 0.00 H ATOM 412 HB2 TYR A 28 6.394 32.666 6.328 1.00 0.00 H ATOM 413 HD2 TYR A 28 9.067 32.935 3.767 1.00 0.00 H ATOM 414 HE2 TYR A 28 9.937 35.078 2.931 1.00 0.00 H ATOM 415 HE1 TYR A 28 6.888 37.157 5.107 1.00 0.00 H ATOM 416 HD1 TYR A 28 6.019 35.010 5.925 1.00 0.00 H ATOM 417 HH TYR A 28 8.411 38.189 3.858 1.00 0.00 H ATOM 418 H TYR A 28 4.115 32.694 5.049 1.00 0.00 H ATOM 419 N CYS A 29 4.643 29.961 4.869 1.00 16.24 N ATOM 420 CA CYS A 29 4.422 28.535 5.120 1.00 17.44 C ATOM 421 C CYS A 29 4.084 27.762 3.870 1.00 19.83 C ATOM 422 O CYS A 29 3.064 28.017 3.223 1.00 21.09 O ATOM 423 CB CYS A 29 3.275 28.312 6.089 1.00 16.97 C ATOM 424 SG CYS A 29 3.532 29.031 7.703 1.00 14.60 S ATOM 425 HA CYS A 29 5.366 28.177 5.532 1.00 0.00 H ATOM 426 HB2 CYS A 29 3.134 27.238 6.211 1.00 0.00 H ATOM 427 HB3 CYS A 29 2.374 28.749 5.659 1.00 0.00 H ATOM 428 H CYS A 29 3.843 30.623 4.927 1.00 0.00 H ATOM 429 N GLY A 30 4.908 26.767 3.574 1.00 21.99 N ATOM 430 CA GLY A 30 4.664 25.892 2.446 1.00 24.13 C ATOM 431 C GLY A 30 5.220 26.367 1.122 1.00 25.86 C ATOM 432 O GLY A 30 5.436 25.545 0.233 1.00 26.84 O ATOM 433 HA3 GLY A 30 3.586 25.778 2.336 1.00 0.00 H ATOM 434 HA2 GLY A 30 5.110 24.923 2.670 1.00 0.00 H ATOM 435 H GLY A 30 5.749 26.611 4.165 1.00 0.00 H ATOM 436 N TRP A 31 5.452 27.701 0.975 1.00 27.59 N ATOM 437 CA TRP A 31 5.971 28.155 -0.319 1.00 28.74 C ATOM 438 C TRP A 31 6.914 29.346 -0.219 1.00 29.08 C ATOM 439 O TRP A 31 7.492 29.731 -1.242 1.00 29.64 O ATOM 440 CB TRP A 31 4.846 28.332 -1.310 1.00 29.12 C ATOM 441 CG TRP A 31 5.190 27.573 -2.546 1.00 31.07 C ATOM 442 CD1 TRP A 31 5.462 26.241 -2.658 1.00 32.25 C ATOM 443 CD2 TRP A 31 5.350 28.124 -3.850 1.00 33.03 C ATOM 444 NE1 TRP A 31 5.767 25.927 -3.958 1.00 33.27 N ATOM 445 CE2 TRP A 31 5.704 27.068 -4.712 1.00 33.36 C ATOM 446 CE3 TRP A 31 5.219 29.408 -4.385 1.00 33.55 C ATOM 447 CZ2 TRP A 31 5.926 27.255 -6.068 1.00 33.86 C ATOM 448 CZ3 TRP A 31 5.441 29.590 -5.732 1.00 34.19 C ATOM 449 CH2 TRP A 31 5.791 28.519 -6.557 1.00 33.73 C ATOM 450 HA TRP A 31 6.613 27.365 -0.709 1.00 0.00 H ATOM 451 HB2 TRP A 31 3.918 27.948 -0.887 1.00 0.00 H ATOM 452 HB3 TRP A 31 4.726 29.389 -1.547 1.00 0.00 H ATOM 453 HE1 TRP A 31 6.006 24.979 -4.312 1.00 0.00 H ATOM 454 HD1 TRP A 31 5.440 25.529 -1.833 1.00 0.00 H ATOM 455 HZ2 TRP A 31 6.198 26.423 -6.717 1.00 0.00 H ATOM 456 HH2 TRP A 31 5.960 28.699 -7.619 1.00 0.00 H ATOM 457 HZ3 TRP A 31 5.342 30.587 -6.161 1.00 0.00 H ATOM 458 HE3 TRP A 31 4.946 30.250 -3.748 1.00 0.00 H ATOM 459 H TRP A 31 5.268 28.371 1.749 1.00 0.00 H ATOM 460 N GLY A 32 7.146 29.921 0.935 1.00 29.28 N ATOM 461 CA GLY A 32 8.160 30.962 1.062 1.00 29.08 C ATOM 462 C GLY A 32 8.122 32.154 0.116 1.00 28.87 C ATOM 463 O GLY A 32 7.168 32.378 -0.637 1.00 29.50 O ATOM 464 HA3 GLY A 32 9.129 30.481 0.930 1.00 0.00 H ATOM 465 HA2 GLY A 32 8.087 31.357 2.075 1.00 0.00 H ATOM 466 H GLY A 32 6.600 29.632 1.772 1.00 0.00 H ATOM 467 N GLY A 33 9.209 32.872 0.190 1.00 28.30 N ATOM 468 CA GLY A 33 9.366 34.121 -0.452 1.00 27.35 C ATOM 469 C GLY A 33 9.482 35.579 -0.033 1.00 26.50 C ATOM 470 O GLY A 33 10.585 36.094 0.167 1.00 26.61 O ATOM 471 HA3 GLY A 33 8.512 34.142 -1.129 1.00 0.00 H ATOM 472 HA2 GLY A 33 10.280 33.972 -1.027 1.00 0.00 H ATOM 473 H GLY A 33 10.003 32.505 0.752 1.00 0.00 H ATOM 474 N LYS A 34 8.361 36.259 0.050 1.00 25.23 N ATOM 475 CA LYS A 34 8.350 37.695 0.338 1.00 24.14 C ATOM 476 C LYS A 34 7.167 38.089 1.220 1.00 22.60 C ATOM 477 O LYS A 34 6.260 37.298 1.503 1.00 21.89 O ATOM 478 CB LYS A 34 8.311 38.500 -0.963 1.00 24.26 C ATOM 479 CG LYS A 34 9.491 38.227 -1.881 1.00 20.00 C ATOM 480 CD LYS A 34 9.516 39.186 -3.052 1.00 20.00 C ATOM 481 CE LYS A 34 10.600 38.811 -4.066 1.00 20.00 C ATOM 482 NZ LYS A 34 10.070 37.901 -5.127 1.00 20.00 N ATOM 483 HA LYS A 34 9.267 37.922 0.881 1.00 0.00 H ATOM 484 HB2 LYS A 34 7.394 38.250 -1.496 1.00 0.00 H ATOM 485 HB3 LYS A 34 8.307 39.561 -0.713 1.00 0.00 H ATOM 486 HG2 LYS A 34 10.415 38.337 -1.313 1.00 0.00 H ATOM 487 HG3 LYS A 34 9.417 37.207 -2.259 1.00 0.00 H ATOM 488 HD2 LYS A 34 8.545 39.165 -3.548 1.00 0.00 H ATOM 489 HD3 LYS A 34 9.711 40.192 -2.681 1.00 0.00 H ATOM 490 HE2 LYS A 34 11.415 38.309 -3.544 1.00 0.00 H ATOM 491 HE3 LYS A 34 10.976 39.720 -4.535 1.00 0.00 H ATOM 492 HZ1 LYS A 34 9.715 37.028 -4.687 1.00 0.00 H ATOM 493 HZ2 LYS A 34 9.296 38.375 -5.634 1.00 0.00 H ATOM 494 HZ3 LYS A 34 10.832 37.669 -5.795 1.00 0.00 H ATOM 495 H LYS A 34 7.457 35.764 -0.093 1.00 0.00 H ATOM 496 N GLY A 35 7.189 39.358 1.648 1.00 21.21 N ATOM 497 CA GLY A 35 6.137 39.900 2.484 1.00 20.56 C ATOM 498 C GLY A 35 6.472 39.966 3.960 1.00 19.59 C ATOM 499 O GLY A 35 7.486 39.424 4.422 1.00 19.00 O ATOM 500 HA3 GLY A 35 5.252 39.275 2.364 1.00 0.00 H ATOM 501 HA2 GLY A 35 5.916 40.911 2.140 1.00 0.00 H ATOM 502 H GLY A 35 7.983 39.971 1.373 1.00 0.00 H ATOM 503 N THR A 36 5.616 40.657 4.700 1.00 19.06 N ATOM 504 CA THR A 36 5.722 40.716 6.146 1.00 18.74 C ATOM 505 C THR A 36 4.914 39.531 6.666 1.00 17.70 C ATOM 506 O THR A 36 3.733 39.412 6.335 1.00 17.94 O ATOM 507 CB THR A 36 5.117 42.036 6.664 1.00 18.91 C ATOM 508 OG1 THR A 36 5.947 43.143 6.278 1.00 21.20 O ATOM 509 CG2 THR A 36 5.102 42.081 8.184 1.00 19.59 C ATOM 510 HA THR A 36 6.759 40.676 6.479 1.00 0.00 H ATOM 511 HB THR A 36 4.110 42.095 6.250 1.00 0.00 H ATOM 512 HG1 THR A 36 6.851 43.026 6.663 1.00 0.00 H ATOM 513 HG23 THR A 36 4.487 41.265 8.564 1.00 0.00 H ATOM 514 HG21 THR A 36 6.120 41.976 8.559 1.00 0.00 H ATOM 515 HG22 THR A 36 4.688 43.034 8.514 1.00 0.00 H ATOM 516 H THR A 36 4.845 41.173 4.230 1.00 0.00 H ATOM 517 N PRO A 37 5.520 38.637 7.455 1.00 16.56 N ATOM 518 CA PRO A 37 4.766 37.488 7.967 1.00 15.87 C ATOM 519 C PRO A 37 3.480 37.960 8.627 1.00 15.57 C ATOM 520 O PRO A 37 3.491 38.970 9.337 1.00 16.31 O ATOM 521 CB PRO A 37 5.728 36.837 8.972 1.00 15.62 C ATOM 522 CG PRO A 37 7.070 37.250 8.508 1.00 16.10 C ATOM 523 CD PRO A 37 6.915 38.629 7.920 1.00 16.37 C ATOM 524 HA PRO A 37 4.457 36.786 7.192 1.00 0.00 H ATOM 525 HD3 PRO A 37 7.081 39.398 8.675 1.00 0.00 H ATOM 526 HD2 PRO A 37 7.605 38.781 7.090 1.00 0.00 H ATOM 527 HG3 PRO A 37 7.437 36.557 7.751 1.00 0.00 H ATOM 528 HG2 PRO A 37 7.767 37.274 9.345 1.00 0.00 H ATOM 529 HB2 PRO A 37 5.538 37.202 9.981 1.00 0.00 H ATOM 530 HB3 PRO A 37 5.630 35.752 8.955 1.00 0.00 H ATOM 531 N LYS A 38 2.401 37.219 8.420 1.00 15.00 N ATOM 532 CA LYS A 38 1.088 37.635 8.886 1.00 15.40 C ATOM 533 C LYS A 38 0.856 37.561 10.388 1.00 14.76 C ATOM 534 O LYS A 38 0.076 38.345 10.929 1.00 15.63 O ATOM 535 CB LYS A 38 0.007 36.810 8.193 1.00 15.62 C ATOM 536 CG LYS A 38 -0.008 36.908 6.666 1.00 16.88 C ATOM 537 CD LYS A 38 0.121 38.342 6.173 1.00 18.33 C ATOM 538 CE LYS A 38 -1.028 39.218 6.652 1.00 18.94 C ATOM 539 NZ LYS A 38 -0.941 40.609 6.123 1.00 20.86 N ATOM 540 HA LYS A 38 1.037 38.693 8.629 1.00 0.00 H ATOM 541 HB2 LYS A 38 0.155 35.764 8.463 1.00 0.00 H ATOM 542 HB3 LYS A 38 -0.962 37.145 8.562 1.00 0.00 H ATOM 543 HG2 LYS A 38 0.824 36.326 6.270 1.00 0.00 H ATOM 544 HG3 LYS A 38 -0.947 36.495 6.298 1.00 0.00 H ATOM 545 HD2 LYS A 38 1.058 38.758 6.543 1.00 0.00 H ATOM 546 HD3 LYS A 38 0.131 38.340 5.083 1.00 0.00 H ATOM 547 HE2 LYS A 38 -1.009 39.256 7.741 1.00 0.00 H ATOM 548 HE3 LYS A 38 -1.968 38.775 6.321 1.00 0.00 H ATOM 549 HZ1 LYS A 38 -0.051 41.044 6.440 1.00 0.00 H ATOM 550 HZ2 LYS A 38 -0.966 40.585 5.084 1.00 0.00 H ATOM 551 HZ3 LYS A 38 -1.745 41.164 6.478 1.00 0.00 H ATOM 552 H LYS A 38 2.496 36.317 7.911 1.00 0.00 H ATOM 553 N ASP A 39 1.516 36.621 11.057 1.00 13.98 N ATOM 554 CA ASP A 39 1.323 36.408 12.485 1.00 13.46 C ATOM 555 C ASP A 39 2.454 35.528 13.010 1.00 12.69 C ATOM 556 O ASP A 39 3.397 35.215 12.279 1.00 12.18 O ATOM 557 CB ASP A 39 -0.058 35.799 12.758 1.00 13.70 C ATOM 558 CG ASP A 39 -0.212 34.396 12.214 1.00 13.31 C ATOM 559 OD1 ASP A 39 0.732 33.860 11.584 1.00 13.30 O ATOM 560 OD2 ASP A 39 -1.259 33.750 12.398 1.00 13.42 O ATOM 561 HA ASP A 39 1.354 37.361 13.013 1.00 0.00 H ATOM 562 HB2 ASP A 39 -0.217 35.772 13.836 1.00 0.00 H ATOM 563 HB3 ASP A 39 -0.814 36.434 12.296 1.00 0.00 H ATOM 564 H ASP A 39 2.191 36.019 10.545 1.00 0.00 H ATOM 565 N ALA A 40 2.380 35.146 14.279 1.00 12.24 N ATOM 566 CA ALA A 40 3.436 34.339 14.885 1.00 12.19 C ATOM 567 C ALA A 40 3.684 33.011 14.151 1.00 11.83 C ATOM 568 O ALA A 40 4.843 32.625 13.971 1.00 11.39 O ATOM 569 CB ALA A 40 3.150 34.096 16.354 1.00 12.73 C ATOM 570 HA ALA A 40 4.355 34.917 14.791 1.00 0.00 H ATOM 571 HB1 ALA A 40 3.094 35.052 16.875 1.00 0.00 H ATOM 572 HB2 ALA A 40 2.201 33.569 16.456 1.00 0.00 H ATOM 573 HB3 ALA A 40 3.950 33.493 16.784 1.00 0.00 H ATOM 574 H ALA A 40 1.557 35.426 14.851 1.00 0.00 H ATOM 575 N THR A 41 2.623 32.319 13.745 1.00 11.63 N ATOM 576 CA THR A 41 2.766 31.067 13.019 1.00 11.26 C ATOM 577 C THR A 41 3.521 31.287 11.716 1.00 11.09 C ATOM 578 O THR A 41 4.435 30.527 11.385 1.00 11.27 O ATOM 579 CB THR A 41 1.387 30.441 12.759 1.00 11.21 C ATOM 580 OG1 THR A 41 0.847 29.934 13.989 1.00 12.03 O ATOM 581 CG2 THR A 41 1.496 29.223 11.844 1.00 10.76 C ATOM 582 HA THR A 41 3.345 30.374 13.629 1.00 0.00 H ATOM 583 HB THR A 41 0.767 31.218 12.313 1.00 0.00 H ATOM 584 HG1 THR A 41 0.755 30.676 14.638 1.00 0.00 H ATOM 585 HG23 THR A 41 1.902 29.529 10.880 1.00 0.00 H ATOM 586 HG21 THR A 41 2.156 28.485 12.300 1.00 0.00 H ATOM 587 HG22 THR A 41 0.507 28.788 11.701 1.00 0.00 H ATOM 588 H THR A 41 1.670 32.681 13.951 1.00 0.00 H ATOM 589 N ASP A 42 3.165 32.337 10.983 1.00 10.94 N ATOM 590 CA ASP A 42 3.858 32.657 9.739 1.00 11.27 C ATOM 591 C ASP A 42 5.331 32.998 10.025 1.00 11.31 C ATOM 592 O ASP A 42 6.217 32.679 9.232 1.00 11.42 O ATOM 593 CB ASP A 42 3.139 33.815 9.049 1.00 11.32 C ATOM 594 CG ASP A 42 3.388 33.886 7.559 1.00 11.78 C ATOM 595 OD1 ASP A 42 3.942 32.934 6.956 1.00 13.00 O ATOM 596 OD2 ASP A 42 3.024 34.905 6.922 1.00 13.62 O ATOM 597 HA ASP A 42 3.845 31.794 9.073 1.00 0.00 H ATOM 598 HB2 ASP A 42 2.067 33.702 9.214 1.00 0.00 H ATOM 599 HB3 ASP A 42 3.478 34.748 9.499 1.00 0.00 H ATOM 600 H ASP A 42 2.380 32.940 11.301 1.00 0.00 H ATOM 601 N ARG A 43 5.595 33.635 11.162 1.00 11.11 N ATOM 602 CA ARG A 43 6.979 33.928 11.541 1.00 11.58 C ATOM 603 C ARG A 43 7.759 32.629 11.809 1.00 10.86 C ATOM 604 O ARG A 43 8.948 32.557 11.524 1.00 11.40 O ATOM 605 CB ARG A 43 7.045 34.886 12.731 1.00 11.34 C ATOM 606 CG ARG A 43 6.693 36.326 12.361 1.00 11.81 C ATOM 607 CD ARG A 43 7.013 37.358 13.431 1.00 12.74 C ATOM 608 NE ARG A 43 6.183 37.228 14.622 1.00 13.74 N ATOM 609 CZ ARG A 43 4.969 37.760 14.763 1.00 14.51 C ATOM 610 NH1 ARG A 43 4.413 38.446 13.774 1.00 14.79 N ATOM 611 NH2 ARG A 43 4.297 37.588 15.895 1.00 14.86 N ATOM 612 HA ARG A 43 7.457 34.433 10.702 1.00 0.00 H ATOM 613 HB2 ARG A 43 6.345 34.542 13.493 1.00 0.00 H ATOM 614 HB3 ARG A 43 8.057 34.869 13.135 1.00 0.00 H ATOM 615 HG2 ARG A 43 7.247 36.589 11.460 1.00 0.00 H ATOM 616 HG3 ARG A 43 5.624 36.371 12.155 1.00 0.00 H ATOM 617 HD2 ARG A 43 6.862 38.352 13.010 1.00 0.00 H ATOM 618 HD3 ARG A 43 8.057 37.243 13.722 1.00 0.00 H ATOM 619 HE ARG A 43 6.566 36.681 15.419 1.00 0.00 H ATOM 620 HH12 ARG A 43 3.465 38.857 13.895 1.00 0.00 H ATOM 621 HH11 ARG A 43 4.925 38.573 12.878 1.00 0.00 H ATOM 622 HH22 ARG A 43 3.350 38.003 16.006 1.00 0.00 H ATOM 623 HH21 ARG A 43 4.718 37.038 16.671 1.00 0.00 H ATOM 624 H ARG A 43 4.815 33.927 11.785 1.00 0.00 H ATOM 625 N CYS A 44 7.101 31.605 12.341 1.00 10.89 N ATOM 626 CA CYS A 44 7.747 30.297 12.485 1.00 10.82 C ATOM 627 C CYS A 44 8.239 29.834 11.116 1.00 10.68 C ATOM 628 O CYS A 44 9.355 29.331 10.977 1.00 10.36 O ATOM 629 CB CYS A 44 6.772 29.239 13.004 1.00 10.84 C ATOM 630 SG CYS A 44 6.090 29.524 14.645 1.00 12.16 S ATOM 631 HA CYS A 44 8.566 30.408 13.195 1.00 0.00 H ATOM 632 HB2 CYS A 44 7.296 28.284 13.023 1.00 0.00 H ATOM 633 HB3 CYS A 44 5.939 29.181 12.303 1.00 0.00 H ATOM 634 H CYS A 44 6.119 31.732 12.658 1.00 0.00 H ATOM 635 N CYS A 45 7.392 29.971 10.102 1.00 11.12 N ATOM 636 CA CYS A 45 7.752 29.567 8.753 1.00 11.28 C ATOM 637 C CYS A 45 8.842 30.434 8.140 1.00 11.17 C ATOM 638 O CYS A 45 9.703 29.906 7.441 1.00 10.94 O ATOM 639 CB CYS A 45 6.522 29.566 7.854 1.00 11.48 C ATOM 640 SG CYS A 45 5.322 28.311 8.356 1.00 13.65 S ATOM 641 HA CYS A 45 8.156 28.557 8.830 1.00 0.00 H ATOM 642 HB2 CYS A 45 6.834 29.366 6.829 1.00 0.00 H ATOM 643 HB3 CYS A 45 6.048 30.547 7.903 1.00 0.00 H ATOM 644 H CYS A 45 6.450 30.376 10.277 1.00 0.00 H ATOM 645 N PHE A 46 8.799 31.740 8.388 1.00 10.95 N ATOM 646 CA PHE A 46 9.853 32.642 7.933 1.00 11.38 C ATOM 647 C PHE A 46 11.211 32.154 8.464 1.00 10.52 C ATOM 648 O PHE A 46 12.192 31.985 7.716 1.00 10.67 O ATOM 649 CB PHE A 46 9.600 34.075 8.412 1.00 11.93 C ATOM 650 CG PHE A 46 10.661 35.037 7.976 1.00 12.91 C ATOM 651 CD1 PHE A 46 10.599 35.613 6.729 1.00 14.62 C ATOM 652 CD2 PHE A 46 11.765 35.295 8.772 1.00 14.09 C ATOM 653 CE1 PHE A 46 11.586 36.475 6.298 1.00 15.39 C ATOM 654 CE2 PHE A 46 12.746 36.163 8.356 1.00 14.56 C ATOM 655 CZ PHE A 46 12.661 36.743 7.111 1.00 15.21 C ATOM 656 HA PHE A 46 9.857 32.642 6.843 1.00 0.00 H ATOM 657 HB2 PHE A 46 8.643 34.410 8.013 1.00 0.00 H ATOM 658 HB3 PHE A 46 9.558 34.075 9.501 1.00 0.00 H ATOM 659 HD2 PHE A 46 11.857 34.803 9.740 1.00 0.00 H ATOM 660 HE2 PHE A 46 13.588 36.391 9.010 1.00 0.00 H ATOM 661 HZ PHE A 46 13.447 37.416 6.769 1.00 0.00 H ATOM 662 HE1 PHE A 46 11.513 36.942 5.316 1.00 0.00 H ATOM 663 HD1 PHE A 46 9.759 35.386 6.073 1.00 0.00 H ATOM 664 H PHE A 46 7.994 32.129 8.920 1.00 0.00 H ATOM 665 N VAL A 47 11.274 31.929 9.782 1.00 10.25 N ATOM 666 CA VAL A 47 12.517 31.490 10.412 1.00 10.22 C ATOM 667 C VAL A 47 12.945 30.103 9.891 1.00 10.16 C ATOM 668 O VAL A 47 14.128 29.867 9.670 1.00 10.70 O ATOM 669 CB VAL A 47 12.391 31.521 11.951 1.00 10.35 C ATOM 670 CG1 VAL A 47 13.601 30.867 12.610 1.00 10.18 C ATOM 671 CG2 VAL A 47 12.227 32.938 12.450 1.00 10.66 C ATOM 672 HA VAL A 47 13.307 32.189 10.137 1.00 0.00 H ATOM 673 HB VAL A 47 11.501 30.953 12.223 1.00 0.00 H ATOM 674 HG11 VAL A 47 13.674 29.829 12.285 1.00 0.00 H ATOM 675 HG12 VAL A 47 14.505 31.404 12.321 1.00 0.00 H ATOM 676 HG13 VAL A 47 13.486 30.902 13.693 1.00 0.00 H ATOM 677 HG21 VAL A 47 13.095 33.528 12.157 1.00 0.00 H ATOM 678 HG22 VAL A 47 11.327 33.373 12.015 1.00 0.00 H ATOM 679 HG23 VAL A 47 12.141 32.931 13.537 1.00 0.00 H ATOM 680 H VAL A 47 10.425 32.069 10.366 1.00 0.00 H ATOM 681 N HIS A 48 11.983 29.201 9.693 1.00 9.99 N ATOM 682 CA HIS A 48 12.267 27.867 9.159 1.00 10.19 C ATOM 683 C HIS A 48 12.856 27.997 7.756 1.00 10.64 C ATOM 684 O HIS A 48 13.816 27.301 7.419 1.00 10.86 O ATOM 685 CB HIS A 48 10.990 27.040 9.123 1.00 10.10 C ATOM 686 CG HIS A 48 11.171 25.599 8.631 1.00 10.21 C ATOM 687 ND1 HIS A 48 10.786 25.176 7.380 1.00 11.49 N ATOM 688 CD2 HIS A 48 11.701 24.521 9.251 1.00 10.18 C ATOM 689 CE1 HIS A 48 11.050 23.886 7.257 1.00 11.08 C ATOM 690 NE2 HIS A 48 11.599 23.462 8.381 1.00 10.32 N ATOM 691 HA HIS A 48 12.988 27.363 9.803 1.00 0.00 H ATOM 692 HB2 HIS A 48 10.580 27.005 10.132 1.00 0.00 H ATOM 693 HB3 HIS A 48 10.282 27.538 8.461 1.00 0.00 H ATOM 694 HD2 HIS A 48 12.129 24.496 10.253 1.00 0.00 H ATOM 695 HE1 HIS A 48 10.849 23.276 6.377 1.00 0.00 H ATOM 696 H HIS A 48 11.001 29.452 9.925 1.00 0.00 H ATOM 697 N ASP A 49 12.299 28.891 6.949 1.00 10.86 N ATOM 698 CA ASP A 49 12.819 29.135 5.604 1.00 12.13 C ATOM 699 C ASP A 49 14.269 29.646 5.687 1.00 12.15 C ATOM 700 O ASP A 49 15.139 29.188 4.943 1.00 12.46 O ATOM 701 CB ASP A 49 11.962 30.155 4.855 1.00 13.08 C ATOM 702 CG ASP A 49 10.547 29.663 4.573 1.00 14.67 C ATOM 703 OD1 ASP A 49 10.308 28.445 4.634 1.00 15.48 O ATOM 704 OD2 ASP A 49 9.688 30.524 4.292 1.00 17.45 O ATOM 705 HA ASP A 49 12.790 28.193 5.057 1.00 0.00 H ATOM 706 HB2 ASP A 49 11.900 31.062 5.456 1.00 0.00 H ATOM 707 HB3 ASP A 49 12.445 30.382 3.905 1.00 0.00 H ATOM 708 H ASP A 49 11.474 29.430 7.280 1.00 0.00 H ATOM 709 N CYS A 50 14.531 30.586 6.591 1.00 12.07 N ATOM 710 CA CYS A 50 15.883 31.098 6.806 1.00 12.32 C ATOM 711 C CYS A 50 16.823 29.983 7.260 1.00 12.09 C ATOM 712 O CYS A 50 17.982 29.931 6.849 1.00 12.79 O ATOM 713 CB CYS A 50 15.873 32.205 7.862 1.00 12.63 C ATOM 714 SG CYS A 50 15.005 33.735 7.409 1.00 14.08 S ATOM 715 HA CYS A 50 16.240 31.500 5.858 1.00 0.00 H ATOM 716 HB2 CYS A 50 16.908 32.463 8.084 1.00 0.00 H ATOM 717 HB3 CYS A 50 15.399 31.806 8.759 1.00 0.00 H ATOM 718 H CYS A 50 13.750 30.968 7.162 1.00 0.00 H ATOM 719 N CYS A 51 16.318 29.113 8.126 1.00 11.83 N ATOM 720 CA CYS A 51 17.088 28.007 8.684 1.00 11.93 C ATOM 721 C CYS A 51 17.544 27.098 7.537 1.00 12.11 C ATOM 722 O CYS A 51 18.728 26.755 7.443 1.00 12.44 O ATOM 723 CB CYS A 51 16.267 27.262 9.732 1.00 11.53 C ATOM 724 SG CYS A 51 17.231 26.243 10.872 1.00 11.10 S ATOM 725 HA CYS A 51 17.975 28.380 9.196 1.00 0.00 H ATOM 726 HB2 CYS A 51 15.562 26.614 9.212 1.00 0.00 H ATOM 727 HB3 CYS A 51 15.717 27.999 10.318 1.00 0.00 H ATOM 728 H CYS A 51 15.327 29.225 8.420 1.00 0.00 H ATOM 729 N TYR A 52 16.630 26.724 6.652 1.00 12.30 N ATOM 730 CA TYR A 52 16.991 25.943 5.473 1.00 12.77 C ATOM 731 C TYR A 52 17.962 26.742 4.601 1.00 13.86 C ATOM 732 O TYR A 52 18.877 26.180 3.997 1.00 14.09 O ATOM 733 CB TYR A 52 15.748 25.592 4.666 1.00 12.30 C ATOM 734 CG TYR A 52 14.935 24.400 5.156 1.00 11.82 C ATOM 735 CD1 TYR A 52 15.225 23.726 6.339 1.00 11.21 C ATOM 736 CD2 TYR A 52 13.845 23.972 4.423 1.00 11.90 C ATOM 737 CE1 TYR A 52 14.458 22.639 6.737 1.00 11.56 C ATOM 738 CE2 TYR A 52 13.080 22.906 4.809 1.00 12.27 C ATOM 739 CZ TYR A 52 13.382 22.242 5.966 1.00 10.80 C ATOM 740 OH TYR A 52 12.589 21.174 6.323 1.00 11.86 O ATOM 741 HA TYR A 52 17.470 25.020 5.799 1.00 0.00 H ATOM 742 HB3 TYR A 52 16.064 25.380 3.645 1.00 0.00 H ATOM 743 HB2 TYR A 52 15.094 26.464 4.669 1.00 0.00 H ATOM 744 HD2 TYR A 52 13.586 24.502 3.506 1.00 0.00 H ATOM 745 HE2 TYR A 52 12.235 22.588 4.198 1.00 0.00 H ATOM 746 HE1 TYR A 52 14.703 22.102 7.653 1.00 0.00 H ATOM 747 HD1 TYR A 52 16.060 24.054 6.958 1.00 0.00 H ATOM 748 HH TYR A 52 12.918 20.790 7.174 1.00 0.00 H ATOM 749 H TYR A 52 15.636 26.992 6.801 1.00 0.00 H ATOM 750 N GLY A 53 17.776 28.057 4.553 1.00 15.14 N ATOM 751 CA GLY A 53 18.659 28.934 3.792 1.00 15.88 C ATOM 752 C GLY A 53 20.087 28.971 4.326 1.00 15.99 C ATOM 753 O GLY A 53 21.016 29.336 3.588 1.00 17.60 O ATOM 754 HA3 GLY A 53 18.252 29.945 3.823 1.00 0.00 H ATOM 755 HA2 GLY A 53 18.685 28.586 2.759 1.00 0.00 H ATOM 756 H GLY A 53 16.977 28.473 5.073 1.00 0.00 H ATOM 757 N ASN A 54 20.281 28.625 5.592 1.00 16.60 N ATOM 758 CA ASN A 54 21.621 28.534 6.161 1.00 16.89 C ATOM 759 C ASN A 54 22.358 27.298 5.602 1.00 16.60 C ATOM 760 O ASN A 54 23.561 27.161 5.823 1.00 16.74 O ATOM 761 CB ASN A 54 21.614 28.407 7.701 1.00 16.97 C ATOM 762 CG ASN A 54 20.947 29.593 8.441 1.00 17.55 C ATOM 763 OD1 ASN A 54 21.029 30.743 8.012 1.00 19.46 O ATOM 764 ND2 ASN A 54 20.301 29.299 9.584 1.00 17.57 N ATOM 765 HA ASN A 54 22.124 29.461 5.885 1.00 0.00 H ATOM 766 HB2 ASN A 54 21.078 27.496 7.965 1.00 0.00 H ATOM 767 HB3 ASN A 54 22.647 28.331 8.041 1.00 0.00 H ATOM 768 HD22 ASN A 54 20.252 28.314 9.915 1.00 0.00 H ATOM 769 HD21 ASN A 54 19.850 30.056 10.136 1.00 0.00 H ATOM 770 H ASN A 54 19.459 28.414 6.193 1.00 0.00 H ATOM 771 N LEU A 55 21.642 26.415 4.892 1.00 16.14 N ATOM 772 CA LEU A 55 22.187 25.123 4.410 1.00 16.00 C ATOM 773 C LEU A 55 22.139 24.930 2.888 1.00 16.58 C ATOM 774 O LEU A 55 21.415 24.074 2.376 1.00 15.20 O ATOM 775 CB LEU A 55 21.411 23.973 5.062 1.00 16.00 C ATOM 776 CG LEU A 55 21.080 24.120 6.543 1.00 16.17 C ATOM 777 CD1 LEU A 55 20.119 23.020 6.983 1.00 15.76 C ATOM 778 CD2 LEU A 55 22.347 24.092 7.374 1.00 17.74 C ATOM 779 HA LEU A 55 23.240 25.128 4.691 1.00 0.00 H ATOM 780 HB2 LEU A 55 20.470 23.862 4.523 1.00 0.00 H ATOM 781 HB3 LEU A 55 22.004 23.066 4.945 1.00 0.00 H ATOM 782 HG LEU A 55 20.593 25.083 6.698 1.00 0.00 H ATOM 783 HD21 LEU A 55 22.862 23.144 7.217 1.00 0.00 H ATOM 784 HD22 LEU A 55 22.996 24.914 7.072 1.00 0.00 H ATOM 785 HD23 LEU A 55 22.091 24.198 8.428 1.00 0.00 H ATOM 786 HD11 LEU A 55 19.198 23.090 6.404 1.00 0.00 H ATOM 787 HD12 LEU A 55 20.581 22.047 6.816 1.00 0.00 H ATOM 788 HD13 LEU A 55 19.893 23.139 8.043 1.00 0.00 H ATOM 789 H LEU A 55 20.654 26.648 4.668 1.00 0.00 H ATOM 790 N PRO A 56 22.812 25.817 2.167 1.00 17.58 N ATOM 791 CA PRO A 56 22.952 25.778 0.713 1.00 18.14 C ATOM 792 C PRO A 56 23.234 24.458 0.004 1.00 17.21 C ATOM 793 O PRO A 56 22.665 24.261 -1.077 1.00 17.09 O ATOM 794 CB PRO A 56 24.046 26.831 0.463 1.00 18.42 C ATOM 795 CG PRO A 56 23.783 27.850 1.514 1.00 20.04 C ATOM 796 CD PRO A 56 23.175 27.142 2.675 1.00 19.04 C ATOM 797 HA PRO A 56 21.976 25.967 0.265 1.00 0.00 H ATOM 798 HD3 PRO A 56 23.894 27.056 3.490 1.00 0.00 H ATOM 799 HD2 PRO A 56 22.290 27.673 3.027 1.00 0.00 H ATOM 800 HG3 PRO A 56 23.095 28.607 1.136 1.00 0.00 H ATOM 801 HG2 PRO A 56 24.716 28.326 1.814 1.00 0.00 H ATOM 802 HB2 PRO A 56 25.040 26.398 0.578 1.00 0.00 H ATOM 803 HB3 PRO A 56 23.953 27.263 -0.533 1.00 0.00 H ATOM 804 N ASP A 59 24.005 23.661 0.650 1.00 14.43 N ATOM 805 CA ASP A 59 24.462 22.415 0.038 1.00 14.31 C ATOM 806 C ASP A 59 23.828 21.210 0.709 1.00 14.10 C ATOM 807 O ASP A 59 24.259 20.073 0.527 1.00 13.40 O ATOM 808 CB ASP A 59 25.977 22.344 0.100 1.00 15.04 C ATOM 809 CG ASP A 59 26.614 23.450 -0.701 1.00 16.66 C ATOM 810 OD1 ASP A 59 27.767 23.827 -0.421 1.00 18.81 O ATOM 811 OD2 ASP A 59 26.027 24.036 -1.617 1.00 19.11 O ATOM 812 HA ASP A 59 24.152 22.401 -1.007 1.00 0.00 H ATOM 813 HB2 ASP A 59 26.294 22.431 1.139 1.00 0.00 H ATOM 814 HB3 ASP A 59 26.304 21.384 -0.299 1.00 0.00 H ATOM 815 H ASP A 59 24.307 23.903 1.615 1.00 0.00 H ATOM 816 N CYS A 61 22.713 21.484 1.396 1.00 11.72 N ATOM 817 CA CYS A 61 21.867 20.454 1.992 1.00 11.64 C ATOM 818 C CYS A 61 20.540 20.356 1.177 1.00 11.73 C ATOM 819 O CYS A 61 20.215 21.288 0.431 1.00 13.01 O ATOM 820 CB CYS A 61 21.569 20.753 3.448 1.00 11.35 C ATOM 821 SG CYS A 61 23.056 20.909 4.491 1.00 11.54 S ATOM 822 HA CYS A 61 22.397 19.502 1.958 1.00 0.00 H ATOM 823 HB2 CYS A 61 20.954 19.945 3.845 1.00 0.00 H ATOM 824 HB3 CYS A 61 21.014 21.690 3.499 1.00 0.00 H ATOM 825 HG CYS A 61 23.768 19.727 4.454 1.00 0.00 H ATOM 826 H CYS A 61 22.435 22.480 1.511 1.00 0.00 H ATOM 827 N ASN A 67 19.764 19.246 1.291 1.00 11.38 N ATOM 828 CA ASN A 67 18.547 19.021 0.532 1.00 11.84 C ATOM 829 C ASN A 67 17.407 18.633 1.487 1.00 12.29 C ATOM 830 O ASN A 67 17.024 17.479 1.583 1.00 12.74 O ATOM 831 CB ASN A 67 18.803 17.970 -0.549 1.00 12.46 C ATOM 832 CG ASN A 67 19.820 18.443 -1.565 1.00 13.51 C ATOM 833 OD1 ASN A 67 19.485 19.163 -2.508 1.00 16.04 O ATOM 834 ND2 ASN A 67 21.060 18.063 -1.373 1.00 13.50 N ATOM 835 HA ASN A 67 18.240 19.935 0.023 1.00 0.00 H ATOM 836 HB2 ASN A 67 19.173 17.060 -0.076 1.00 0.00 H ATOM 837 HB3 ASN A 67 17.865 17.756 -1.062 1.00 0.00 H ATOM 838 HD22 ASN A 67 21.298 17.455 -0.564 1.00 0.00 H ATOM 839 HD21 ASN A 67 21.806 18.370 -2.030 1.00 0.00 H ATOM 840 H ASN A 67 20.061 18.511 1.965 1.00 0.00 H ATOM 841 N PRO A 68 16.920 19.618 2.247 1.00 13.86 N ATOM 842 CA PRO A 68 15.829 19.445 3.219 1.00 14.63 C ATOM 843 C PRO A 68 14.561 18.734 2.764 1.00 14.70 C ATOM 844 O PRO A 68 13.906 18.087 3.586 1.00 14.59 O ATOM 845 CB PRO A 68 15.467 20.889 3.563 1.00 16.00 C ATOM 846 CG PRO A 68 16.684 21.654 3.408 1.00 16.05 C ATOM 847 CD PRO A 68 17.493 20.968 2.341 1.00 14.63 C ATOM 848 HA PRO A 68 16.186 18.796 4.019 1.00 0.00 H ATOM 849 HD3 PRO A 68 17.399 21.493 1.390 1.00 0.00 H ATOM 850 HD2 PRO A 68 18.544 20.921 2.626 1.00 0.00 H ATOM 851 HG3 PRO A 68 17.238 21.673 4.346 1.00 0.00 H ATOM 852 HG2 PRO A 68 16.450 22.675 3.105 1.00 0.00 H ATOM 853 HB2 PRO A 68 14.698 21.259 2.885 1.00 0.00 H ATOM 854 HB3 PRO A 68 15.106 20.955 4.589 1.00 0.00 H ATOM 855 N LYS A 69 14.176 18.882 1.506 1.00 14.48 N ATOM 856 CA LYS A 69 12.948 18.241 1.048 1.00 15.10 C ATOM 857 C LYS A 69 13.023 16.722 1.056 1.00 14.77 C ATOM 858 O LYS A 69 12.051 16.050 1.392 1.00 14.98 O ATOM 859 CB LYS A 69 12.585 18.733 -0.355 1.00 16.18 C ATOM 860 CG LYS A 69 12.177 20.181 -0.366 1.00 19.43 C ATOM 861 CD LYS A 69 12.435 20.790 -1.718 1.00 23.17 C ATOM 862 CE LYS A 69 11.537 21.980 -1.968 1.00 24.74 C ATOM 863 NZ LYS A 69 10.870 21.924 -3.296 1.00 26.93 N ATOM 864 HA LYS A 69 12.171 18.524 1.758 1.00 0.00 H ATOM 865 HB2 LYS A 69 13.451 18.608 -1.005 1.00 0.00 H ATOM 866 HB3 LYS A 69 11.758 18.133 -0.734 1.00 0.00 H ATOM 867 HG2 LYS A 69 11.114 20.257 -0.135 1.00 0.00 H ATOM 868 HG3 LYS A 69 12.751 20.722 0.387 1.00 0.00 H ATOM 869 HD2 LYS A 69 13.475 21.113 -1.769 1.00 0.00 H ATOM 870 HD3 LYS A 69 12.251 20.039 -2.486 1.00 0.00 H ATOM 871 HE2 LYS A 69 12.138 22.888 -1.917 1.00 0.00 H ATOM 872 HE3 LYS A 69 10.771 22.009 -1.193 1.00 0.00 H ATOM 873 HZ1 LYS A 69 11.592 21.905 -4.045 1.00 0.00 H ATOM 874 HZ2 LYS A 69 10.286 21.065 -3.354 1.00 0.00 H ATOM 875 HZ3 LYS A 69 10.267 22.763 -3.415 1.00 0.00 H ATOM 876 H LYS A 69 14.745 19.452 0.848 1.00 0.00 H ATOM 877 N SER A 70 14.177 16.174 0.690 1.00 14.12 N ATOM 878 CA SER A 70 14.310 14.740 0.521 1.00 14.06 C ATOM 879 C SER A 70 15.183 14.010 1.529 1.00 12.81 C ATOM 880 O SER A 70 14.954 12.839 1.781 1.00 13.80 O ATOM 881 CB SER A 70 14.861 14.446 -0.880 1.00 14.84 C ATOM 882 OG SER A 70 16.124 15.078 -1.067 1.00 16.74 O ATOM 883 HA SER A 70 13.301 14.360 0.681 1.00 0.00 H ATOM 884 HB2 SER A 70 14.160 14.819 -1.626 1.00 0.00 H ATOM 885 HB3 SER A 70 14.978 13.369 -1.000 1.00 0.00 H ATOM 886 HG SER A 70 16.461 14.876 -1.976 1.00 0.00 H ATOM 887 H SER A 70 15.001 16.786 0.521 1.00 0.00 H ATOM 888 N ASP A 71 16.190 14.679 2.086 1.00 11.43 N ATOM 889 CA ASP A 71 17.131 14.018 2.984 1.00 10.94 C ATOM 890 C ASP A 71 16.426 13.671 4.295 1.00 10.88 C ATOM 891 O ASP A 71 15.808 14.532 4.925 1.00 12.05 O ATOM 892 CB ASP A 71 18.340 14.927 3.214 1.00 10.82 C ATOM 893 CG ASP A 71 19.532 14.215 3.786 1.00 10.27 C ATOM 894 OD1 ASP A 71 19.455 12.991 4.058 1.00 10.83 O ATOM 895 OD2 ASP A 71 20.597 14.847 3.989 1.00 10.42 O ATOM 896 HA ASP A 71 17.489 13.089 2.539 1.00 0.00 H ATOM 897 HB2 ASP A 71 18.627 15.366 2.259 1.00 0.00 H ATOM 898 HB3 ASP A 71 18.049 15.719 3.904 1.00 0.00 H ATOM 899 H ASP A 71 16.308 15.691 1.877 1.00 0.00 H ATOM 900 N ARG A 72 16.508 12.409 4.694 1.00 11.02 N ATOM 901 CA ARG A 72 15.867 11.905 5.909 1.00 11.30 C ATOM 902 C ARG A 72 16.801 11.926 7.106 1.00 11.07 C ATOM 903 O ARG A 72 17.975 11.581 7.008 1.00 11.57 O ATOM 904 CB ARG A 72 15.410 10.460 5.687 1.00 11.63 C ATOM 905 CG ARG A 72 14.369 10.313 4.601 1.00 13.46 C ATOM 906 CD ARG A 72 13.713 8.954 4.573 1.00 13.93 C ATOM 907 NE ARG A 72 12.929 8.752 3.361 1.00 16.00 N ATOM 908 CZ ARG A 72 12.132 7.714 3.148 1.00 18.04 C ATOM 909 NH1 ARG A 72 11.472 7.616 2.003 1.00 18.96 N ATOM 910 NH2 ARG A 72 11.992 6.784 4.077 1.00 16.95 N ATOM 911 HA ARG A 72 15.022 12.560 6.118 1.00 0.00 H ATOM 912 HB2 ARG A 72 16.279 9.862 5.414 1.00 0.00 H ATOM 913 HB3 ARG A 72 14.990 10.084 6.620 1.00 0.00 H ATOM 914 HG2 ARG A 72 13.597 11.066 4.759 1.00 0.00 H ATOM 915 HG3 ARG A 72 14.849 10.484 3.638 1.00 0.00 H ATOM 916 HD2 ARG A 72 13.055 8.862 5.437 1.00 0.00 H ATOM 917 HD3 ARG A 72 14.487 8.188 4.624 1.00 0.00 H ATOM 918 HE ARG A 72 13.000 9.471 2.613 1.00 0.00 H ATOM 919 HH12 ARG A 72 10.846 6.804 1.832 1.00 0.00 H ATOM 920 HH11 ARG A 72 11.580 8.352 1.276 1.00 0.00 H ATOM 921 HH22 ARG A 72 11.366 5.970 3.908 1.00 0.00 H ATOM 922 HH21 ARG A 72 12.507 6.866 4.977 1.00 0.00 H ATOM 923 H ARG A 72 17.056 11.743 4.113 1.00 0.00 H ATOM 924 N TYR A 73 16.260 12.304 8.256 1.00 11.55 N ATOM 925 CA TYR A 73 17.019 12.304 9.510 1.00 11.97 C ATOM 926 C TYR A 73 16.262 11.426 10.501 1.00 12.04 C ATOM 927 O TYR A 73 15.107 11.083 10.280 1.00 13.21 O ATOM 928 CB TYR A 73 17.188 13.730 10.073 1.00 11.66 C ATOM 929 CG TYR A 73 15.881 14.487 10.158 1.00 11.63 C ATOM 930 CD1 TYR A 73 14.970 14.236 11.175 1.00 11.68 C ATOM 931 CD2 TYR A 73 15.549 15.444 9.208 1.00 10.31 C ATOM 932 CE1 TYR A 73 13.768 14.913 11.242 1.00 11.23 C ATOM 933 CE2 TYR A 73 14.352 16.117 9.256 1.00 10.53 C ATOM 934 CZ TYR A 73 13.459 15.844 10.276 1.00 10.79 C ATOM 935 OH TYR A 73 12.251 16.508 10.358 1.00 11.93 O ATOM 936 HA TYR A 73 18.023 11.917 9.333 1.00 0.00 H ATOM 937 HB3 TYR A 73 17.869 14.282 9.425 1.00 0.00 H ATOM 938 HB2 TYR A 73 17.616 13.661 11.073 1.00 0.00 H ATOM 939 HD2 TYR A 73 16.254 15.666 8.407 1.00 0.00 H ATOM 940 HE2 TYR A 73 14.108 16.860 8.496 1.00 0.00 H ATOM 941 HE1 TYR A 73 13.069 14.712 12.054 1.00 0.00 H ATOM 942 HD1 TYR A 73 15.208 13.491 11.934 1.00 0.00 H ATOM 943 HH TYR A 73 12.416 17.480 10.448 1.00 0.00 H ATOM 944 H TYR A 73 15.266 12.610 8.269 1.00 0.00 H ATOM 945 N LYS A 74 16.925 11.058 11.591 1.00 12.78 N ATOM 946 CA LYS A 74 16.286 10.295 12.661 1.00 13.26 C ATOM 947 C LYS A 74 16.178 11.146 13.928 1.00 12.84 C ATOM 948 O LYS A 74 17.070 11.936 14.237 1.00 12.94 O ATOM 949 CB LYS A 74 17.077 9.025 12.986 1.00 14.36 C ATOM 950 CG LYS A 74 17.112 7.994 11.859 1.00 15.65 C ATOM 951 CD LYS A 74 15.750 7.387 11.559 1.00 17.87 C ATOM 952 CE LYS A 74 15.886 6.191 10.619 1.00 19.32 C ATOM 953 NZ LYS A 74 14.566 5.626 10.232 1.00 20.33 N ATOM 954 HA LYS A 74 15.291 10.015 12.314 1.00 0.00 H ATOM 955 HB2 LYS A 74 18.103 9.312 13.217 1.00 0.00 H ATOM 956 HB3 LYS A 74 16.626 8.558 13.861 1.00 0.00 H ATOM 957 HG2 LYS A 74 17.481 8.480 10.956 1.00 0.00 H ATOM 958 HG3 LYS A 74 17.794 7.192 12.144 1.00 0.00 H ATOM 959 HD2 LYS A 74 15.291 7.059 12.492 1.00 0.00 H ATOM 960 HD3 LYS A 74 15.118 8.141 11.090 1.00 0.00 H ATOM 961 HE2 LYS A 74 16.467 5.416 11.119 1.00 0.00 H ATOM 962 HE3 LYS A 74 16.409 6.511 9.718 1.00 0.00 H ATOM 963 HZ1 LYS A 74 14.062 5.311 11.085 1.00 0.00 H ATOM 964 HZ2 LYS A 74 14.006 6.356 9.747 1.00 0.00 H ATOM 965 HZ3 LYS A 74 14.710 4.817 9.594 1.00 0.00 H ATOM 966 H LYS A 74 17.927 11.320 11.686 1.00 0.00 H ATOM 967 N TYR A 75 15.082 10.970 14.650 1.00 13.01 N ATOM 968 CA TYR A 75 14.910 11.635 15.932 1.00 13.06 C ATOM 969 C TYR A 75 14.098 10.739 16.845 1.00 13.81 C ATOM 970 O TYR A 75 13.411 9.826 16.381 1.00 14.37 O ATOM 971 CB TYR A 75 14.237 13.009 15.787 1.00 12.95 C ATOM 972 CG TYR A 75 12.778 12.990 15.389 1.00 13.03 C ATOM 973 CD1 TYR A 75 11.772 13.096 16.340 1.00 13.27 C ATOM 974 CD2 TYR A 75 12.403 12.893 14.062 1.00 13.03 C ATOM 975 CE1 TYR A 75 10.438 13.093 15.978 1.00 14.01 C ATOM 976 CE2 TYR A 75 11.081 12.879 13.691 1.00 13.44 C ATOM 977 CZ TYR A 75 10.102 12.983 14.649 1.00 13.12 C ATOM 978 OH TYR A 75 8.779 12.983 14.265 1.00 14.52 O ATOM 979 HA TYR A 75 15.896 11.813 16.362 1.00 0.00 H ATOM 980 HB3 TYR A 75 14.783 13.571 15.029 1.00 0.00 H ATOM 981 HB2 TYR A 75 14.316 13.523 16.745 1.00 0.00 H ATOM 982 HD2 TYR A 75 13.173 12.826 13.294 1.00 0.00 H ATOM 983 HE2 TYR A 75 10.809 12.786 12.640 1.00 0.00 H ATOM 984 HE1 TYR A 75 9.661 13.177 16.738 1.00 0.00 H ATOM 985 HD1 TYR A 75 12.040 13.183 17.393 1.00 0.00 H ATOM 986 HH TYR A 75 8.204 13.064 15.067 1.00 0.00 H ATOM 987 H TYR A 75 14.331 10.345 14.294 1.00 0.00 H ATOM 988 N LYS A 76 14.192 11.002 18.142 1.00 14.08 N ATOM 989 CA LYS A 76 13.436 10.261 19.148 1.00 14.75 C ATOM 990 C LYS A 76 12.779 11.250 20.099 1.00 15.00 C ATOM 991 O LYS A 76 13.050 12.445 20.043 1.00 14.51 O ATOM 992 CB LYS A 76 14.352 9.321 19.938 1.00 15.30 C ATOM 993 CG LYS A 76 15.403 10.035 20.752 1.00 15.80 C ATOM 994 CD LYS A 76 16.373 9.062 21.391 1.00 18.05 C ATOM 995 CE LYS A 76 17.534 9.781 22.030 1.00 19.80 C ATOM 996 NZ LYS A 76 18.417 8.858 22.778 1.00 21.70 N ATOM 997 HA LYS A 76 12.678 9.658 18.647 1.00 0.00 H ATOM 998 HB2 LYS A 76 13.736 8.729 20.615 1.00 0.00 H ATOM 999 HB3 LYS A 76 14.854 8.658 19.233 1.00 0.00 H ATOM 1000 HG2 LYS A 76 15.957 10.710 20.100 1.00 0.00 H ATOM 1001 HG3 LYS A 76 14.912 10.611 21.536 1.00 0.00 H ATOM 1002 HD2 LYS A 76 15.848 8.487 22.154 1.00 0.00 H ATOM 1003 HD3 LYS A 76 16.753 8.385 20.625 1.00 0.00 H ATOM 1004 HE2 LYS A 76 17.147 10.532 22.718 1.00 0.00 H ATOM 1005 HE3 LYS A 76 18.117 10.271 21.250 1.00 0.00 H ATOM 1006 HZ1 LYS A 76 17.871 8.391 23.530 1.00 0.00 H ATOM 1007 HZ2 LYS A 76 18.797 8.141 22.128 1.00 0.00 H ATOM 1008 HZ3 LYS A 76 19.201 9.396 23.200 1.00 0.00 H ATOM 1009 H LYS A 76 14.827 11.764 18.454 1.00 0.00 H ATOM 1010 N ARG A 77 11.899 10.734 20.954 1.00 16.20 N ATOM 1011 CA ARG A 77 11.232 11.513 21.992 1.00 17.41 C ATOM 1012 C ARG A 77 11.801 11.108 23.339 1.00 18.18 C ATOM 1013 O ARG A 77 11.932 9.920 23.627 1.00 18.26 O ATOM 1014 CB ARG A 77 9.729 11.225 22.007 1.00 17.77 C ATOM 1015 CG ARG A 77 8.995 11.670 20.778 1.00 18.17 C ATOM 1016 CD ARG A 77 8.561 13.124 20.831 1.00 18.59 C ATOM 1017 NE ARG A 77 8.046 13.589 19.552 1.00 17.03 N ATOM 1018 CZ ARG A 77 7.593 14.812 19.327 1.00 15.52 C ATOM 1019 NH1 ARG A 77 7.601 15.716 20.296 1.00 15.30 N ATOM 1020 NH2 ARG A 77 7.130 15.140 18.123 1.00 16.56 N ATOM 1021 HA ARG A 77 11.393 12.572 21.793 1.00 0.00 H ATOM 1022 HB2 ARG A 77 9.590 10.149 22.115 1.00 0.00 H ATOM 1023 HB3 ARG A 77 9.294 11.735 22.866 1.00 0.00 H ATOM 1024 HG2 ARG A 77 9.649 11.535 19.916 1.00 0.00 H ATOM 1025 HG3 ARG A 77 8.108 11.048 20.660 1.00 0.00 H ATOM 1026 HD2 ARG A 77 9.418 13.737 21.109 1.00 0.00 H ATOM 1027 HD3 ARG A 77 7.780 13.231 21.584 1.00 0.00 H ATOM 1028 HE ARG A 77 8.033 12.914 18.761 1.00 0.00 H ATOM 1029 HH12 ARG A 77 7.244 16.676 20.115 1.00 0.00 H ATOM 1030 HH11 ARG A 77 7.964 15.466 21.238 1.00 0.00 H ATOM 1031 HH22 ARG A 77 6.774 16.101 17.947 1.00 0.00 H ATOM 1032 HH21 ARG A 77 7.124 14.435 17.358 1.00 0.00 H ATOM 1033 H ARG A 77 11.675 9.721 20.878 1.00 0.00 H ATOM 1034 N VAL A 78 12.179 12.080 24.151 1.00 19.07 N ATOM 1035 CA VAL A 78 12.637 11.793 25.500 1.00 20.39 C ATOM 1036 C VAL A 78 11.557 12.459 26.316 1.00 21.54 C ATOM 1037 O VAL A 78 11.575 13.683 26.512 1.00 21.82 O ATOM 1038 CB VAL A 78 14.033 12.358 25.781 1.00 20.23 C ATOM 1039 CG1 VAL A 78 14.429 12.106 27.227 1.00 20.84 C ATOM 1040 CG2 VAL A 78 15.047 11.725 24.843 1.00 20.56 C ATOM 1041 HA VAL A 78 12.763 10.732 25.715 1.00 0.00 H ATOM 1042 HB VAL A 78 14.014 13.434 25.611 1.00 0.00 H ATOM 1043 HG11 VAL A 78 13.711 12.590 27.889 1.00 0.00 H ATOM 1044 HG12 VAL A 78 14.436 11.033 27.419 1.00 0.00 H ATOM 1045 HG13 VAL A 78 15.423 12.515 27.407 1.00 0.00 H ATOM 1046 HG21 VAL A 78 15.058 10.646 24.997 1.00 0.00 H ATOM 1047 HG22 VAL A 78 14.772 11.944 23.811 1.00 0.00 H ATOM 1048 HG23 VAL A 78 16.036 12.133 25.051 1.00 0.00 H ATOM 1049 H VAL A 78 12.148 13.065 23.819 1.00 0.00 H ATOM 1050 N ASN A 79 10.583 11.651 26.736 1.00 23.17 N ATOM 1051 CA ASN A 79 9.368 12.191 27.302 1.00 24.17 C ATOM 1052 C ASN A 79 8.930 13.096 26.113 1.00 23.74 C ATOM 1053 O ASN A 79 9.272 12.744 24.991 1.00 25.39 O ATOM 1054 CB ASN A 79 9.653 12.821 28.658 1.00 24.83 C ATOM 1055 CG ASN A 79 10.004 11.764 29.705 1.00 26.41 C ATOM 1056 OD1 ASN A 79 9.127 11.046 30.189 1.00 30.22 O ATOM 1057 ND2 ASN A 79 11.288 11.637 30.023 1.00 28.56 N ATOM 1058 HA ASN A 79 8.560 11.518 27.588 1.00 0.00 H ATOM 1059 HB2 ASN A 79 10.489 13.513 28.559 1.00 0.00 H ATOM 1060 HB3 ASN A 79 8.769 13.367 28.988 1.00 0.00 H ATOM 1061 HD22 ASN A 79 11.995 12.265 29.590 1.00 0.00 H ATOM 1062 HD21 ASN A 79 11.585 10.910 30.705 1.00 0.00 H ATOM 1063 H ASN A 79 10.699 10.621 26.655 1.00 0.00 H ATOM 1064 N GLY A 80 8.237 14.220 26.269 1.00 22.33 N ATOM 1065 CA GLY A 80 7.804 14.967 25.077 1.00 20.97 C ATOM 1066 C GLY A 80 8.855 15.651 24.179 1.00 19.20 C ATOM 1067 O GLY A 80 8.559 16.116 23.054 1.00 18.92 O ATOM 1068 HA3 GLY A 80 7.127 15.748 25.422 1.00 0.00 H ATOM 1069 HA2 GLY A 80 7.257 14.266 24.446 1.00 0.00 H ATOM 1070 H GLY A 80 8.004 14.567 27.221 1.00 0.00 H ATOM 1071 N ALA A 81 10.096 15.693 24.639 1.00 17.65 N ATOM 1072 CA ALA A 81 11.139 16.433 23.936 1.00 16.67 C ATOM 1073 C ALA A 81 11.665 15.733 22.686 1.00 15.83 C ATOM 1074 O ALA A 81 11.878 14.526 22.690 1.00 16.50 O ATOM 1075 CB ALA A 81 12.285 16.719 24.884 1.00 16.88 C ATOM 1076 HA ALA A 81 10.678 17.359 23.592 1.00 0.00 H ATOM 1077 HB1 ALA A 81 11.921 17.312 25.723 1.00 0.00 H ATOM 1078 HB2 ALA A 81 12.693 15.778 25.253 1.00 0.00 H ATOM 1079 HB3 ALA A 81 13.062 17.272 24.356 1.00 0.00 H ATOM 1080 H ALA A 81 10.332 15.189 25.518 1.00 0.00 H ATOM 1081 N ILE A 82 11.883 16.505 21.625 1.00 14.96 N ATOM 1082 CA ILE A 82 12.463 15.976 20.399 1.00 14.00 C ATOM 1083 C ILE A 82 13.978 15.975 20.546 1.00 13.65 C ATOM 1084 O ILE A 82 14.569 16.985 20.928 1.00 13.94 O ATOM 1085 CB ILE A 82 12.057 16.852 19.200 1.00 13.40 C ATOM 1086 CG1 ILE A 82 10.547 16.765 18.976 1.00 14.42 C ATOM 1087 CG2 ILE A 82 12.817 16.440 17.940 1.00 13.08 C ATOM 1088 CD1 ILE A 82 10.018 17.840 18.055 1.00 14.42 C ATOM 1089 HA ILE A 82 12.101 14.963 20.225 1.00 0.00 H ATOM 1090 HB ILE A 82 12.319 17.887 19.422 1.00 0.00 H ATOM 1091 HG12 ILE A 82 10.317 15.792 18.542 1.00 0.00 H ATOM 1092 HG13 ILE A 82 10.048 16.858 19.940 1.00 0.00 H ATOM 1093 HD11 ILE A 82 10.232 18.820 18.482 1.00 0.00 H ATOM 1094 HD12 ILE A 82 10.501 17.753 17.082 1.00 0.00 H ATOM 1095 HD13 ILE A 82 8.941 17.720 17.939 1.00 0.00 H ATOM 1096 HG21 ILE A 82 13.888 16.553 18.110 1.00 0.00 H ATOM 1097 HG22 ILE A 82 12.593 15.399 17.706 1.00 0.00 H ATOM 1098 HG23 ILE A 82 12.511 17.075 17.109 1.00 0.00 H ATOM 1099 H ILE A 82 11.632 17.513 21.673 1.00 0.00 H ATOM 1100 N VAL A 83 14.600 14.834 20.268 1.00 13.34 N ATOM 1101 CA VAL A 83 16.048 14.719 20.296 1.00 13.31 C ATOM 1102 C VAL A 83 16.523 14.222 18.941 1.00 13.10 C ATOM 1103 O VAL A 83 16.277 13.075 18.568 1.00 13.10 O ATOM 1104 CB VAL A 83 16.527 13.756 21.402 1.00 14.14 C ATOM 1105 CG1 VAL A 83 18.026 13.602 21.338 1.00 14.95 C ATOM 1106 CG2 VAL A 83 16.076 14.241 22.790 1.00 15.56 C ATOM 1107 HA VAL A 83 16.468 15.701 20.515 1.00 0.00 H ATOM 1108 HB VAL A 83 16.072 12.780 21.235 1.00 0.00 H ATOM 1109 HG11 VAL A 83 18.307 13.200 20.365 1.00 0.00 H ATOM 1110 HG12 VAL A 83 18.496 14.575 21.480 1.00 0.00 H ATOM 1111 HG13 VAL A 83 18.354 12.920 22.123 1.00 0.00 H ATOM 1112 HG21 VAL A 83 16.494 15.229 22.982 1.00 0.00 H ATOM 1113 HG22 VAL A 83 14.988 14.293 22.819 1.00 0.00 H ATOM 1114 HG23 VAL A 83 16.428 13.543 23.549 1.00 0.00 H ATOM 1115 H VAL A 83 14.033 13.998 20.023 1.00 0.00 H ATOM 1116 N CYS A 84 17.178 15.099 18.196 1.00 12.61 N ATOM 1117 CA CYS A 84 17.730 14.730 16.897 1.00 13.15 C ATOM 1118 C CYS A 84 18.878 13.739 17.131 1.00 13.91 C ATOM 1119 O CYS A 84 19.705 13.943 18.021 1.00 15.93 O ATOM 1120 CB CYS A 84 18.206 15.989 16.168 1.00 13.25 C ATOM 1121 SG CYS A 84 16.873 17.120 15.655 1.00 12.74 S ATOM 1122 HA CYS A 84 16.976 14.254 16.270 1.00 0.00 H ATOM 1123 HB2 CYS A 84 18.752 15.680 15.276 1.00 0.00 H ATOM 1124 HB3 CYS A 84 18.877 16.533 16.832 1.00 0.00 H ATOM 1125 H CYS A 84 17.302 16.071 18.544 1.00 0.00 H ATOM 1126 N GLU A 85 18.892 12.644 16.379 1.00 13.67 N ATOM 1127 CA GLU A 85 19.929 11.616 16.515 1.00 14.25 C ATOM 1128 C GLU A 85 20.985 11.809 15.428 1.00 14.86 C ATOM 1129 O GLU A 85 20.686 12.324 14.354 1.00 16.32 O ATOM 1130 CB GLU A 85 19.296 10.229 16.464 1.00 14.31 C ATOM 1131 CG GLU A 85 18.434 9.956 17.690 1.00 14.86 C ATOM 1132 CD GLU A 85 17.555 8.736 17.539 1.00 14.87 C ATOM 1133 OE1 GLU A 85 16.622 8.798 16.726 1.00 15.92 O ATOM 1134 OE2 GLU A 85 17.776 7.725 18.250 1.00 17.84 O ATOM 1135 HA GLU A 85 20.426 11.710 17.481 1.00 0.00 H ATOM 1136 HB2 GLU A 85 18.674 10.157 15.572 1.00 0.00 H ATOM 1137 HB3 GLU A 85 20.087 9.481 16.415 1.00 0.00 H ATOM 1138 HG2 GLU A 85 19.089 9.808 18.548 1.00 0.00 H ATOM 1139 HG3 GLU A 85 17.797 10.823 17.866 1.00 0.00 H ATOM 1140 H GLU A 85 18.143 12.511 15.670 1.00 0.00 H ATOM 1141 N LYS A 86 22.215 11.416 15.723 1.00 15.19 N ATOM 1142 CA LYS A 86 23.298 11.674 14.791 1.00 16.11 C ATOM 1143 C LYS A 86 23.252 10.919 13.459 1.00 15.68 C ATOM 1144 O LYS A 86 23.157 9.696 13.410 1.00 16.64 O ATOM 1145 CB LYS A 86 24.674 11.420 15.478 1.00 16.63 C ATOM 1146 CG LYS A 86 25.859 12.080 14.765 1.00 19.17 C ATOM 1147 CD LYS A 86 27.122 12.060 15.609 1.00 21.68 C ATOM 1148 CE LYS A 86 28.370 12.309 14.772 1.00 23.60 C ATOM 1149 NZ LYS A 86 28.372 13.673 14.189 1.00 24.68 N ATOM 1150 HA LYS A 86 23.164 12.722 14.523 1.00 0.00 H ATOM 1151 HB2 LYS A 86 24.626 11.809 16.495 1.00 0.00 H ATOM 1152 HB3 LYS A 86 24.848 10.344 15.509 1.00 0.00 H ATOM 1153 HG2 LYS A 86 26.050 11.546 13.834 1.00 0.00 H ATOM 1154 HG3 LYS A 86 25.602 13.116 14.542 1.00 0.00 H ATOM 1155 HD2 LYS A 86 27.049 12.835 16.372 1.00 0.00 H ATOM 1156 HD3 LYS A 86 27.209 11.086 16.090 1.00 0.00 H ATOM 1157 HE2 LYS A 86 28.406 11.578 13.964 1.00 0.00 H ATOM 1158 HE3 LYS A 86 29.250 12.193 15.405 1.00 0.00 H ATOM 1159 HZ1 LYS A 86 27.538 13.789 13.579 1.00 0.00 H ATOM 1160 HZ2 LYS A 86 28.343 14.376 14.955 1.00 0.00 H ATOM 1161 HZ3 LYS A 86 29.236 13.807 13.626 1.00 0.00 H ATOM 1162 H LYS A 86 22.404 10.924 16.620 1.00 0.00 H ATOM 1163 N GLY A 88 23.310 11.723 12.368 1.00 13.23 N ATOM 1164 CA GLY A 88 23.359 11.269 10.983 1.00 12.37 C ATOM 1165 C GLY A 88 24.486 12.072 10.307 1.00 11.91 C ATOM 1166 O GLY A 88 25.515 12.352 10.931 1.00 13.09 O ATOM 1167 HA3 GLY A 88 22.407 11.462 10.488 1.00 0.00 H ATOM 1168 HA2 GLY A 88 23.578 10.202 10.942 1.00 0.00 H ATOM 1169 H GLY A 88 23.320 12.750 12.533 1.00 0.00 H ATOM 1170 N THR A 89 24.302 12.447 9.052 1.00 11.28 N ATOM 1171 CA THR A 89 25.288 13.292 8.373 1.00 10.69 C ATOM 1172 C THR A 89 25.147 14.707 8.933 1.00 10.73 C ATOM 1173 O THR A 89 24.142 15.037 9.593 1.00 10.78 O ATOM 1174 CB THR A 89 25.043 13.341 6.867 1.00 10.53 C ATOM 1175 OG1 THR A 89 23.772 13.968 6.625 1.00 10.30 O ATOM 1176 CG2 THR A 89 24.972 11.943 6.252 1.00 10.41 C ATOM 1177 HA THR A 89 26.284 12.882 8.542 1.00 0.00 H ATOM 1178 HB THR A 89 25.871 13.890 6.419 1.00 0.00 H ATOM 1179 HG1 THR A 89 23.604 14.005 5.650 1.00 0.00 H ATOM 1180 HG23 THR A 89 25.919 11.428 6.412 1.00 0.00 H ATOM 1181 HG21 THR A 89 24.167 11.380 6.724 1.00 0.00 H ATOM 1182 HG22 THR A 89 24.779 12.027 5.182 1.00 0.00 H ATOM 1183 H THR A 89 23.449 12.139 8.542 1.00 0.00 H ATOM 1184 N SER A 90 26.108 15.585 8.660 1.00 10.97 N ATOM 1185 CA SER A 90 25.990 16.961 9.130 1.00 11.52 C ATOM 1186 C SER A 90 24.721 17.636 8.573 1.00 10.82 C ATOM 1187 O SER A 90 24.029 18.341 9.311 1.00 11.15 O ATOM 1188 CB SER A 90 27.237 17.796 8.829 1.00 12.53 C ATOM 1189 OG SER A 90 27.514 17.866 7.482 1.00 17.50 O ATOM 1190 HA SER A 90 25.901 16.911 10.215 1.00 0.00 H ATOM 1191 HB2 SER A 90 28.090 17.347 9.338 1.00 0.00 H ATOM 1192 HB3 SER A 90 27.081 18.806 9.207 1.00 0.00 H ATOM 1193 HG SER A 90 26.749 18.280 7.010 1.00 0.00 H ATOM 1194 H SER A 90 26.942 15.291 8.113 1.00 0.00 H ATOM 1195 N CYS A 91 24.426 17.456 7.298 1.00 9.78 N ATOM 1196 CA CYS A 91 23.212 18.030 6.733 1.00 10.27 C ATOM 1197 C CYS A 91 21.969 17.519 7.472 1.00 10.01 C ATOM 1198 O CYS A 91 21.059 18.290 7.795 1.00 10.36 O ATOM 1199 CB CYS A 91 23.104 17.688 5.248 1.00 10.20 C ATOM 1200 SG CYS A 91 24.004 18.812 4.138 1.00 11.56 S ATOM 1201 HA CYS A 91 23.266 19.112 6.850 1.00 0.00 H ATOM 1202 HB2 CYS A 91 22.050 17.710 4.971 1.00 0.00 H ATOM 1203 HB3 CYS A 91 23.496 16.681 5.102 1.00 0.00 H ATOM 1204 HG CYS A 91 23.514 20.094 4.288 1.00 0.00 H ATOM 1205 H CYS A 91 25.065 16.901 6.693 1.00 0.00 H ATOM 1206 N GLU A 92 21.913 16.223 7.741 1.00 9.73 N ATOM 1207 CA GLU A 92 20.758 15.642 8.411 1.00 9.92 C ATOM 1208 C GLU A 92 20.576 16.226 9.798 1.00 9.97 C ATOM 1209 O GLU A 92 19.457 16.553 10.193 1.00 10.52 O ATOM 1210 CB GLU A 92 20.900 14.119 8.428 1.00 10.01 C ATOM 1211 CG GLU A 92 20.637 13.526 7.046 1.00 10.15 C ATOM 1212 CD GLU A 92 21.144 12.115 6.812 1.00 10.97 C ATOM 1213 OE1 GLU A 92 21.747 11.503 7.713 1.00 10.58 O ATOM 1214 OE2 GLU A 92 20.929 11.609 5.675 1.00 10.95 O ATOM 1215 HA GLU A 92 19.852 15.892 7.860 1.00 0.00 H ATOM 1216 HB2 GLU A 92 21.911 13.859 8.740 1.00 0.00 H ATOM 1217 HB3 GLU A 92 20.184 13.702 9.136 1.00 0.00 H ATOM 1218 HG2 GLU A 92 19.559 13.523 6.885 1.00 0.00 H ATOM 1219 HG3 GLU A 92 21.111 14.176 6.310 1.00 0.00 H ATOM 1220 H GLU A 92 22.708 15.610 7.469 1.00 0.00 H ATOM 1221 N ASN A 93 21.667 16.353 10.540 1.00 10.49 N ATOM 1222 CA ASN A 93 21.607 16.939 11.875 1.00 10.92 C ATOM 1223 C ASN A 93 21.057 18.364 11.841 1.00 10.74 C ATOM 1224 O ASN A 93 20.192 18.730 12.644 1.00 10.65 O ATOM 1225 CB ASN A 93 22.999 16.969 12.503 1.00 12.07 C ATOM 1226 CG ASN A 93 23.625 15.593 12.646 1.00 12.87 C ATOM 1227 OD1 ASN A 93 22.935 14.579 12.679 1.00 14.53 O ATOM 1228 ND2 ASN A 93 24.954 15.562 12.733 1.00 15.76 N ATOM 1229 HA ASN A 93 20.938 16.317 12.469 1.00 0.00 H ATOM 1230 HB2 ASN A 93 23.648 17.581 11.877 1.00 0.00 H ATOM 1231 HB3 ASN A 93 22.922 17.419 13.493 1.00 0.00 H ATOM 1232 HD22 ASN A 93 25.498 16.448 12.700 1.00 0.00 H ATOM 1233 HD21 ASN A 93 25.447 14.652 12.833 1.00 0.00 H ATOM 1234 H ASN A 93 22.581 16.030 10.164 1.00 0.00 H ATOM 1235 N ARG A 94 21.552 19.171 10.912 1.00 10.57 N ATOM 1236 CA ARG A 94 21.150 20.577 10.823 1.00 10.87 C ATOM 1237 C ARG A 94 19.712 20.731 10.331 1.00 10.07 C ATOM 1238 O ARG A 94 18.961 21.583 10.815 1.00 10.18 O ATOM 1239 CB ARG A 94 22.111 21.327 9.903 1.00 11.25 C ATOM 1240 CG ARG A 94 23.568 21.273 10.351 1.00 13.47 C ATOM 1241 CD ARG A 94 24.542 21.638 9.232 1.00 16.57 C ATOM 1242 NE ARG A 94 24.773 23.082 9.207 1.00 17.78 N ATOM 1243 CZ ARG A 94 25.463 23.726 8.280 1.00 18.42 C ATOM 1244 NH1 ARG A 94 25.980 23.061 7.251 1.00 19.02 N ATOM 1245 NH2 ARG A 94 25.630 25.041 8.386 1.00 19.81 N ATOM 1246 HA ARG A 94 21.194 21.004 11.825 1.00 0.00 H ATOM 1247 HB2 ARG A 94 22.042 20.891 8.906 1.00 0.00 H ATOM 1248 HB3 ARG A 94 21.803 22.372 9.863 1.00 0.00 H ATOM 1249 HG2 ARG A 94 23.706 21.972 11.176 1.00 0.00 H ATOM 1250 HG3 ARG A 94 23.791 20.262 10.692 1.00 0.00 H ATOM 1251 HD2 ARG A 94 24.124 21.324 8.275 1.00 0.00 H ATOM 1252 HD3 ARG A 94 25.489 21.125 9.399 1.00 0.00 H ATOM 1253 HE ARG A 94 24.363 23.647 9.978 1.00 0.00 H ATOM 1254 HH12 ARG A 94 26.522 23.569 6.523 1.00 0.00 H ATOM 1255 HH11 ARG A 94 25.842 22.033 7.174 1.00 0.00 H ATOM 1256 HH22 ARG A 94 26.171 25.556 7.663 1.00 0.00 H ATOM 1257 HH21 ARG A 94 25.220 25.554 9.192 1.00 0.00 H ATOM 1258 H ARG A 94 22.242 18.797 10.230 1.00 0.00 H ATOM 1259 N ILE A 95 19.321 19.920 9.364 1.00 9.77 N ATOM 1260 CA ILE A 95 17.943 19.919 8.894 1.00 9.61 C ATOM 1261 C ILE A 95 17.008 19.533 10.050 1.00 8.91 C ATOM 1262 O ILE A 95 15.968 20.174 10.259 1.00 9.19 O ATOM 1263 CB ILE A 95 17.766 18.932 7.717 1.00 9.81 C ATOM 1264 CG1 ILE A 95 18.521 19.406 6.478 1.00 10.40 C ATOM 1265 CG2 ILE A 95 16.277 18.736 7.422 1.00 10.20 C ATOM 1266 CD1 ILE A 95 18.727 18.311 5.461 1.00 10.77 C ATOM 1267 HA ILE A 95 17.692 20.919 8.541 1.00 0.00 H ATOM 1268 HB ILE A 95 18.192 17.970 8.002 1.00 0.00 H ATOM 1269 HG12 ILE A 95 17.954 20.212 6.012 1.00 0.00 H ATOM 1270 HG13 ILE A 95 19.496 19.782 6.787 1.00 0.00 H ATOM 1271 HD11 ILE A 95 19.302 17.502 5.911 1.00 0.00 H ATOM 1272 HD12 ILE A 95 17.758 17.932 5.135 1.00 0.00 H ATOM 1273 HD13 ILE A 95 19.269 18.710 4.604 1.00 0.00 H ATOM 1274 HG21 ILE A 95 15.782 18.335 8.307 1.00 0.00 H ATOM 1275 HG22 ILE A 95 15.831 19.695 7.158 1.00 0.00 H ATOM 1276 HG23 ILE A 95 16.161 18.039 6.592 1.00 0.00 H ATOM 1277 H ILE A 95 20.009 19.271 8.931 1.00 0.00 H ATOM 1278 N CYS A 96 17.360 18.493 10.803 1.00 9.12 N ATOM 1279 CA CYS A 96 16.536 18.061 11.932 1.00 9.56 C ATOM 1280 C CYS A 96 16.350 19.207 12.940 1.00 9.46 C ATOM 1281 O CYS A 96 15.235 19.449 13.426 1.00 9.41 O ATOM 1282 CB CYS A 96 17.132 16.828 12.607 1.00 9.79 C ATOM 1283 SG CYS A 96 16.110 16.197 13.972 1.00 11.31 S ATOM 1284 HA CYS A 96 15.554 17.786 11.547 1.00 0.00 H ATOM 1285 HB2 CYS A 96 18.114 17.089 13.001 1.00 0.00 H ATOM 1286 HB3 CYS A 96 17.238 16.041 11.860 1.00 0.00 H ATOM 1287 H CYS A 96 18.237 17.978 10.585 1.00 0.00 H ATOM 1288 N GLU A 97 17.420 19.930 13.250 1.00 9.31 N ATOM 1289 CA GLU A 97 17.314 21.035 14.205 1.00 9.83 C ATOM 1290 C GLU A 97 16.406 22.153 13.678 1.00 9.57 C ATOM 1291 O GLU A 97 15.668 22.775 14.461 1.00 10.05 O ATOM 1292 CB GLU A 97 18.694 21.571 14.580 1.00 10.44 C ATOM 1293 CG GLU A 97 19.541 20.583 15.383 1.00 12.75 C ATOM 1294 CD GLU A 97 18.978 20.254 16.755 1.00 14.37 C ATOM 1295 OE1 GLU A 97 18.159 21.036 17.284 1.00 17.13 O ATOM 1296 OE2 GLU A 97 19.370 19.203 17.313 1.00 16.66 O ATOM 1297 HA GLU A 97 16.851 20.642 15.110 1.00 0.00 H ATOM 1298 HB2 GLU A 97 19.229 21.817 13.663 1.00 0.00 H ATOM 1299 HB3 GLU A 97 18.562 22.475 15.175 1.00 0.00 H ATOM 1300 HG2 GLU A 97 19.619 19.657 14.814 1.00 0.00 H ATOM 1301 HG3 GLU A 97 20.535 21.012 15.514 1.00 0.00 H ATOM 1302 H GLU A 97 18.338 19.710 12.812 1.00 0.00 H ATOM 1303 N CYS A 98 16.439 22.418 12.379 1.00 9.15 N ATOM 1304 CA CYS A 98 15.541 23.400 11.783 1.00 9.58 C ATOM 1305 C CYS A 98 14.078 22.976 11.932 1.00 9.18 C ATOM 1306 O CYS A 98 13.204 23.781 12.272 1.00 8.94 O ATOM 1307 CB CYS A 98 15.849 23.572 10.286 1.00 9.63 C ATOM 1308 SG CYS A 98 17.373 24.460 9.877 1.00 10.80 S ATOM 1309 HA CYS A 98 15.698 24.342 12.308 1.00 0.00 H ATOM 1310 HB2 CYS A 98 15.017 24.114 9.836 1.00 0.00 H ATOM 1311 HB3 CYS A 98 15.915 22.578 9.844 1.00 0.00 H ATOM 1312 H CYS A 98 17.119 21.915 11.773 1.00 0.00 H ATOM 1313 N ASP A 99 13.807 21.711 11.640 1.00 8.74 N ATOM 1314 CA ASP A 99 12.447 21.171 11.679 1.00 8.88 C ATOM 1315 C ASP A 99 11.916 21.118 13.104 1.00 9.11 C ATOM 1316 O ASP A 99 10.771 21.493 13.348 1.00 9.14 O ATOM 1317 CB ASP A 99 12.402 19.785 11.033 1.00 9.38 C ATOM 1318 CG ASP A 99 12.486 19.825 9.526 1.00 9.03 C ATOM 1319 OD1 ASP A 99 12.640 20.923 8.944 1.00 9.95 O ATOM 1320 OD2 ASP A 99 12.362 18.749 8.877 1.00 10.57 O ATOM 1321 HA ASP A 99 11.803 21.840 11.109 1.00 0.00 H ATOM 1322 HB2 ASP A 99 13.240 19.199 11.411 1.00 0.00 H ATOM 1323 HB3 ASP A 99 11.466 19.302 11.315 1.00 0.00 H ATOM 1324 H ASP A 99 14.589 21.080 11.374 1.00 0.00 H ATOM 1325 N LYS A 100 12.737 20.644 14.036 1.00 9.07 N ATOM 1326 CA LYS A 100 12.388 20.600 15.452 1.00 9.39 C ATOM 1327 C LYS A 100 11.965 21.987 15.946 1.00 9.41 C ATOM 1328 O LYS A 100 10.922 22.132 16.613 1.00 9.79 O ATOM 1329 CB LYS A 100 13.602 20.112 16.254 1.00 9.53 C ATOM 1330 CG LYS A 100 13.459 20.265 17.762 1.00 10.16 C ATOM 1331 CD LYS A 100 14.673 19.743 18.509 1.00 10.97 C ATOM 1332 CE LYS A 100 14.597 20.072 20.002 1.00 12.47 C ATOM 1333 NZ LYS A 100 15.816 19.594 20.723 1.00 14.02 N ATOM 1334 HA LYS A 100 11.552 19.915 15.591 1.00 0.00 H ATOM 1335 HB2 LYS A 100 13.757 19.056 16.031 1.00 0.00 H ATOM 1336 HB3 LYS A 100 14.474 20.682 15.934 1.00 0.00 H ATOM 1337 HG2 LYS A 100 13.329 21.321 17.997 1.00 0.00 H ATOM 1338 HG3 LYS A 100 12.580 19.710 18.090 1.00 0.00 H ATOM 1339 HD2 LYS A 100 14.726 18.661 18.387 1.00 0.00 H ATOM 1340 HD3 LYS A 100 15.570 20.199 18.091 1.00 0.00 H ATOM 1341 HE2 LYS A 100 13.718 19.588 20.429 1.00 0.00 H ATOM 1342 HE3 LYS A 100 14.511 21.152 20.125 1.00 0.00 H ATOM 1343 HZ1 LYS A 100 15.900 18.563 20.613 1.00 0.00 H ATOM 1344 HZ2 LYS A 100 16.657 20.056 20.323 1.00 0.00 H ATOM 1345 HZ3 LYS A 100 15.736 19.831 21.732 1.00 0.00 H ATOM 1346 H LYS A 100 13.669 20.289 13.743 1.00 0.00 H ATOM 1347 N ALA A 101 12.756 23.011 15.625 1.00 9.02 N ATOM 1348 CA ALA A 101 12.453 24.369 16.054 1.00 8.83 C ATOM 1349 C ALA A 101 11.114 24.827 15.491 1.00 8.98 C ATOM 1350 O ALA A 101 10.305 25.410 16.213 1.00 9.16 O ATOM 1351 CB ALA A 101 13.557 25.319 15.623 1.00 9.13 C ATOM 1352 HA ALA A 101 12.389 24.376 17.142 1.00 0.00 H ATOM 1353 HB1 ALA A 101 14.500 25.006 16.072 1.00 0.00 H ATOM 1354 HB2 ALA A 101 13.647 25.301 14.537 1.00 0.00 H ATOM 1355 HB3 ALA A 101 13.314 26.329 15.952 1.00 0.00 H ATOM 1356 H ALA A 101 13.608 22.836 15.056 1.00 0.00 H ATOM 1357 N ALA A 102 10.867 24.578 14.214 1.00 9.14 N ATOM 1358 CA ALA A 102 9.602 24.987 13.600 1.00 9.89 C ATOM 1359 C ALA A 102 8.400 24.280 14.234 1.00 9.65 C ATOM 1360 O ALA A 102 7.371 24.914 14.475 1.00 10.01 O ATOM 1361 CB ALA A 102 9.638 24.735 12.092 1.00 9.61 C ATOM 1362 HA ALA A 102 9.481 26.055 13.780 1.00 0.00 H ATOM 1363 HB1 ALA A 102 10.452 25.309 11.648 1.00 0.00 H ATOM 1364 HB2 ALA A 102 9.797 23.673 11.906 1.00 0.00 H ATOM 1365 HB3 ALA A 102 8.691 25.044 11.651 1.00 0.00 H ATOM 1366 H ALA A 102 11.581 24.086 13.640 1.00 0.00 H ATOM 1367 N ALA A 103 8.525 22.987 14.517 1.00 10.39 N ATOM 1368 CA ALA A 103 7.434 22.238 15.132 1.00 11.12 C ATOM 1369 C ALA A 103 7.119 22.769 16.526 1.00 11.06 C ATOM 1370 O ALA A 103 5.947 22.924 16.881 1.00 11.44 O ATOM 1371 CB ALA A 103 7.772 20.761 15.179 1.00 11.70 C ATOM 1372 HA ALA A 103 6.542 22.370 14.520 1.00 0.00 H ATOM 1373 HB1 ALA A 103 7.930 20.393 14.165 1.00 0.00 H ATOM 1374 HB2 ALA A 103 8.679 20.616 15.765 1.00 0.00 H ATOM 1375 HB3 ALA A 103 6.949 20.216 15.640 1.00 0.00 H ATOM 1376 H ALA A 103 9.417 22.500 14.296 1.00 0.00 H ATOM 1377 N ILE A 104 8.152 23.044 17.316 1.00 10.80 N ATOM 1378 CA ILE A 104 7.986 23.663 18.628 1.00 11.01 C ATOM 1379 C ILE A 104 7.347 25.051 18.483 1.00 10.64 C ATOM 1380 O ILE A 104 6.437 25.408 19.238 1.00 11.14 O ATOM 1381 CB ILE A 104 9.358 23.774 19.335 1.00 11.18 C ATOM 1382 CG1 ILE A 104 9.846 22.390 19.761 1.00 12.50 C ATOM 1383 CG2 ILE A 104 9.281 24.716 20.535 1.00 12.75 C ATOM 1384 CD1 ILE A 104 11.296 22.362 20.228 1.00 13.70 C ATOM 1385 HA ILE A 104 7.327 23.040 19.233 1.00 0.00 H ATOM 1386 HB ILE A 104 10.075 24.193 18.629 1.00 0.00 H ATOM 1387 HG12 ILE A 104 9.215 22.040 20.578 1.00 0.00 H ATOM 1388 HG13 ILE A 104 9.746 21.714 18.912 1.00 0.00 H ATOM 1389 HD11 ILE A 104 11.944 22.697 19.418 1.00 0.00 H ATOM 1390 HD12 ILE A 104 11.413 23.024 21.086 1.00 0.00 H ATOM 1391 HD13 ILE A 104 11.565 21.345 20.513 1.00 0.00 H ATOM 1392 HG21 ILE A 104 8.980 25.708 20.198 1.00 0.00 H ATOM 1393 HG22 ILE A 104 8.550 24.335 21.248 1.00 0.00 H ATOM 1394 HG23 ILE A 104 10.259 24.775 21.012 1.00 0.00 H ATOM 1395 H ILE A 104 9.111 22.810 16.989 1.00 0.00 H ATOM 1396 N CYS A 105 7.817 25.829 17.520 1.00 10.07 N ATOM 1397 CA CYS A 105 7.285 27.164 17.279 1.00 10.32 C ATOM 1398 C CYS A 105 5.781 27.101 16.927 1.00 10.24 C ATOM 1399 O CYS A 105 4.967 27.883 17.438 1.00 10.57 O ATOM 1400 CB CYS A 105 8.117 27.855 16.198 1.00 10.33 C ATOM 1401 SG CYS A 105 7.706 29.581 15.909 1.00 11.75 S ATOM 1402 HA CYS A 105 7.360 27.761 18.188 1.00 0.00 H ATOM 1403 HB2 CYS A 105 7.975 27.312 15.263 1.00 0.00 H ATOM 1404 HB3 CYS A 105 9.165 27.802 16.492 1.00 0.00 H ATOM 1405 H CYS A 105 8.588 25.477 16.918 1.00 0.00 H ATOM 1406 N PHE A 106 5.397 26.167 16.064 1.00 10.41 N ATOM 1407 CA PHE A 106 3.985 26.011 15.710 1.00 10.63 C ATOM 1408 C PHE A 106 3.178 25.692 16.970 1.00 11.13 C ATOM 1409 O PHE A 106 2.093 26.252 17.186 1.00 11.36 O ATOM 1410 CB PHE A 106 3.772 24.884 14.694 1.00 10.77 C ATOM 1411 CG PHE A 106 4.281 25.169 13.303 1.00 10.82 C ATOM 1412 CD1 PHE A 106 4.319 26.444 12.770 1.00 12.09 C ATOM 1413 CD2 PHE A 106 4.673 24.110 12.500 1.00 11.63 C ATOM 1414 CE1 PHE A 106 4.762 26.648 11.473 1.00 12.57 C ATOM 1415 CE2 PHE A 106 5.127 24.312 11.218 1.00 13.11 C ATOM 1416 CZ PHE A 106 5.169 25.572 10.700 1.00 12.97 C ATOM 1417 HA PHE A 106 3.652 26.947 15.261 1.00 0.00 H ATOM 1418 HB2 PHE A 106 4.282 23.995 15.064 1.00 0.00 H ATOM 1419 HB3 PHE A 106 2.702 24.687 14.628 1.00 0.00 H ATOM 1420 HD2 PHE A 106 4.620 23.095 12.893 1.00 0.00 H ATOM 1421 HE2 PHE A 106 5.453 23.464 10.616 1.00 0.00 H ATOM 1422 HZ PHE A 106 5.522 25.733 9.681 1.00 0.00 H ATOM 1423 HE1 PHE A 106 4.790 27.656 11.060 1.00 0.00 H ATOM 1424 HD1 PHE A 106 3.999 27.293 13.373 1.00 0.00 H ATOM 1425 H PHE A 106 6.107 25.540 15.635 1.00 0.00 H ATOM 1426 N ARG A 107 3.690 24.796 17.799 1.00 11.22 N ATOM 1427 CA ARG A 107 3.017 24.418 19.045 1.00 12.11 C ATOM 1428 C ARG A 107 2.847 25.612 19.988 1.00 11.96 C ATOM 1429 O ARG A 107 1.794 25.778 20.612 1.00 12.46 O ATOM 1430 CB ARG A 107 3.808 23.316 19.754 1.00 12.52 C ATOM 1431 CG ARG A 107 3.218 22.873 21.083 1.00 14.39 C ATOM 1432 CD ARG A 107 1.899 22.164 20.937 1.00 15.83 C ATOM 1433 NE ARG A 107 1.282 21.858 22.227 1.00 18.52 N ATOM 1434 CZ ARG A 107 0.480 22.683 22.884 1.00 20.22 C ATOM 1435 NH1 ARG A 107 -0.037 22.301 24.049 1.00 22.29 N ATOM 1436 NH2 ARG A 107 0.205 23.893 22.407 1.00 19.92 N ATOM 1437 HA ARG A 107 2.024 24.053 18.782 1.00 0.00 H ATOM 1438 HB2 ARG A 107 3.851 22.449 19.094 1.00 0.00 H ATOM 1439 HB3 ARG A 107 4.818 23.684 19.935 1.00 0.00 H ATOM 1440 HG2 ARG A 107 3.923 22.198 21.568 1.00 0.00 H ATOM 1441 HG3 ARG A 107 3.071 23.754 21.708 1.00 0.00 H ATOM 1442 HD2 ARG A 107 2.061 21.231 20.397 1.00 0.00 H ATOM 1443 HD3 ARG A 107 1.221 22.800 20.367 1.00 0.00 H ATOM 1444 HE ARG A 107 1.486 20.933 22.656 1.00 0.00 H ATOM 1445 HH12 ARG A 107 -0.668 22.941 24.573 1.00 0.00 H ATOM 1446 HH11 ARG A 107 0.190 21.363 24.436 1.00 0.00 H ATOM 1447 HH22 ARG A 107 -0.426 24.529 22.935 1.00 0.00 H ATOM 1448 HH21 ARG A 107 0.621 24.204 21.506 1.00 0.00 H ATOM 1449 H ARG A 107 4.597 24.347 17.559 1.00 0.00 H ATOM 1450 N GLN A 108 3.879 26.440 20.086 1.00 12.14 N ATOM 1451 CA GLN A 108 3.880 27.612 20.960 1.00 12.48 C ATOM 1452 C GLN A 108 2.923 28.688 20.482 1.00 12.71 C ATOM 1453 O GLN A 108 2.518 29.557 21.265 1.00 14.27 O ATOM 1454 CB GLN A 108 5.298 28.188 20.996 1.00 12.59 C ATOM 1455 CG GLN A 108 5.490 29.318 21.949 1.00 14.95 C ATOM 1456 CD GLN A 108 6.890 29.370 22.511 1.00 17.19 C ATOM 1457 OE1 GLN A 108 7.070 29.494 23.729 1.00 19.88 O ATOM 1458 NE2 GLN A 108 7.891 29.279 21.645 1.00 15.47 N ATOM 1459 HA GLN A 108 3.552 27.296 21.950 1.00 0.00 H ATOM 1460 HB2 GLN A 108 5.982 27.387 21.277 1.00 0.00 H ATOM 1461 HB3 GLN A 108 5.546 28.542 19.995 1.00 0.00 H ATOM 1462 HG2 GLN A 108 5.288 30.253 21.427 1.00 0.00 H ATOM 1463 HG3 GLN A 108 4.786 29.204 22.773 1.00 0.00 H ATOM 1464 HE22 GLN A 108 7.692 29.176 20.629 1.00 0.00 H ATOM 1465 HE21 GLN A 108 8.874 29.311 21.982 1.00 0.00 H ATOM 1466 H GLN A 108 4.726 26.246 19.515 1.00 0.00 H ATOM 1467 N ASN A 109 2.546 28.628 19.214 1.00 12.80 N ATOM 1468 CA ASN A 109 1.700 29.660 18.627 1.00 12.92 C ATOM 1469 C ASN A 109 0.333 29.175 18.135 1.00 13.33 C ATOM 1470 O ASN A 109 -0.369 29.890 17.405 1.00 13.28 O ATOM 1471 CB ASN A 109 2.484 30.378 17.542 1.00 12.60 C ATOM 1472 CG ASN A 109 3.613 31.192 18.126 1.00 12.18 C ATOM 1473 OD1 ASN A 109 3.365 32.175 18.833 1.00 12.66 O ATOM 1474 ND2 ASN A 109 4.856 30.769 17.890 1.00 12.44 N ATOM 1475 HA ASN A 109 1.443 30.356 19.425 1.00 0.00 H ATOM 1476 HB2 ASN A 109 2.897 29.640 16.855 1.00 0.00 H ATOM 1477 HB3 ASN A 109 1.812 31.042 16.999 1.00 0.00 H ATOM 1478 HD22 ASN A 109 5.016 29.936 17.288 1.00 0.00 H ATOM 1479 HD21 ASN A 109 5.665 31.272 18.308 1.00 0.00 H ATOM 1480 H ASN A 109 2.859 27.830 18.626 1.00 0.00 H ATOM 1481 N LEU A 110 -0.065 27.982 18.559 1.00 14.19 N ATOM 1482 CA LEU A 110 -1.402 27.490 18.228 1.00 15.94 C ATOM 1483 C LEU A 110 -2.478 28.440 18.755 1.00 16.81 C ATOM 1484 O LEU A 110 -3.561 28.545 18.174 1.00 18.04 O ATOM 1485 CB LEU A 110 -1.644 26.113 18.833 1.00 16.73 C ATOM 1486 CG LEU A 110 -1.040 24.937 18.076 1.00 17.39 C ATOM 1487 CD1 LEU A 110 -1.279 23.642 18.833 1.00 17.97 C ATOM 1488 CD2 LEU A 110 -1.614 24.842 16.667 1.00 17.58 C ATOM 1489 HA LEU A 110 -1.460 27.430 17.141 1.00 0.00 H ATOM 1490 HB2 LEU A 110 -1.226 26.112 19.840 1.00 0.00 H ATOM 1491 HB3 LEU A 110 -2.721 25.957 18.888 1.00 0.00 H ATOM 1492 HG LEU A 110 0.034 25.102 17.994 1.00 0.00 H ATOM 1493 HD21 LEU A 110 -2.694 24.704 16.724 1.00 0.00 H ATOM 1494 HD22 LEU A 110 -1.392 25.760 16.123 1.00 0.00 H ATOM 1495 HD23 LEU A 110 -1.165 23.994 16.150 1.00 0.00 H ATOM 1496 HD11 LEU A 110 -0.816 23.707 19.817 1.00 0.00 H ATOM 1497 HD12 LEU A 110 -2.351 23.480 18.945 1.00 0.00 H ATOM 1498 HD13 LEU A 110 -0.841 22.812 18.278 1.00 0.00 H ATOM 1499 H LEU A 110 0.577 27.395 19.129 1.00 0.00 H ATOM 1500 N ASN A 111 -2.176 29.128 19.853 1.00 17.24 N ATOM 1501 CA ASN A 111 -3.123 30.044 20.483 1.00 18.32 C ATOM 1502 C ASN A 111 -3.545 31.208 19.587 1.00 17.92 C ATOM 1503 O ASN A 111 -4.565 31.849 19.852 1.00 18.98 O ATOM 1504 CB ASN A 111 -2.603 30.535 21.849 1.00 18.79 C ATOM 1505 CG ASN A 111 -1.383 31.438 21.753 1.00 19.73 C ATOM 1506 OD1 ASN A 111 -1.161 32.267 22.636 1.00 24.25 O ATOM 1507 ND2 ASN A 111 -0.579 31.273 20.716 1.00 19.22 N ATOM 1508 HA ASN A 111 -4.031 29.465 20.652 1.00 0.00 H ATOM 1509 HB2 ASN A 111 -3.402 31.088 22.343 1.00 0.00 H ATOM 1510 HB3 ASN A 111 -2.340 29.665 22.450 1.00 0.00 H ATOM 1511 HD22 ASN A 111 -0.804 30.561 19.992 1.00 0.00 H ATOM 1512 HD21 ASN A 111 0.278 31.855 20.625 1.00 0.00 H ATOM 1513 H ASN A 111 -1.234 29.009 20.277 1.00 0.00 H ATOM 1514 N THR A 112 -2.787 31.471 18.526 1.00 16.94 N ATOM 1515 CA THR A 112 -3.141 32.533 17.590 1.00 16.51 C ATOM 1516 C THR A 112 -3.269 32.051 16.141 1.00 15.81 C ATOM 1517 O THR A 112 -3.482 32.867 15.257 1.00 16.10 O ATOM 1518 CB THR A 112 -2.154 33.725 17.667 1.00 16.37 C ATOM 1519 OG1 THR A 112 -0.823 33.301 17.321 1.00 16.33 O ATOM 1520 CG2 THR A 112 -2.046 34.260 19.093 1.00 17.01 C ATOM 1521 HA THR A 112 -4.128 32.872 17.905 1.00 0.00 H ATOM 1522 HB THR A 112 -2.535 34.483 16.983 1.00 0.00 H ATOM 1523 HG1 THR A 112 -0.822 32.941 16.399 1.00 0.00 H ATOM 1524 HG23 THR A 112 -3.026 34.603 19.426 1.00 0.00 H ATOM 1525 HG21 THR A 112 -1.694 33.466 19.752 1.00 0.00 H ATOM 1526 HG22 THR A 112 -1.342 35.092 19.115 1.00 0.00 H ATOM 1527 H THR A 112 -1.927 30.910 18.361 1.00 0.00 H ATOM 1528 N TYR A 113 -3.111 30.752 15.889 1.00 15.53 N ATOM 1529 CA TYR A 113 -3.313 30.207 14.543 1.00 15.54 C ATOM 1530 C TYR A 113 -4.680 30.681 14.021 1.00 15.88 C ATOM 1531 O TYR A 113 -5.673 30.609 14.754 1.00 16.11 O ATOM 1532 CB TYR A 113 -3.282 28.672 14.583 1.00 15.43 C ATOM 1533 CG TYR A 113 -3.433 28.022 13.220 1.00 15.75 C ATOM 1534 CD1 TYR A 113 -4.684 27.886 12.626 1.00 16.73 C ATOM 1535 CD2 TYR A 113 -2.325 27.558 12.522 1.00 14.95 C ATOM 1536 CE1 TYR A 113 -4.834 27.307 11.386 1.00 16.70 C ATOM 1537 CE2 TYR A 113 -2.465 26.974 11.267 1.00 15.25 C ATOM 1538 CZ TYR A 113 -3.722 26.856 10.700 1.00 15.73 C ATOM 1539 OH TYR A 113 -3.879 26.275 9.454 1.00 16.50 O ATOM 1540 HA TYR A 113 -2.517 30.555 13.884 1.00 0.00 H ATOM 1541 HB3 TYR A 113 -4.096 28.328 15.221 1.00 0.00 H ATOM 1542 HB2 TYR A 113 -2.330 28.358 15.011 1.00 0.00 H ATOM 1543 HD2 TYR A 113 -1.333 27.653 12.963 1.00 0.00 H ATOM 1544 HE2 TYR A 113 -1.588 26.611 10.732 1.00 0.00 H ATOM 1545 HE1 TYR A 113 -5.826 27.205 10.947 1.00 0.00 H ATOM 1546 HD1 TYR A 113 -5.566 28.246 13.155 1.00 0.00 H ATOM 1547 HH TYR A 113 -3.366 26.792 8.783 1.00 0.00 H ATOM 1548 H TYR A 113 -2.839 30.112 16.662 1.00 0.00 H ATOM 1549 N SER A 114 -4.731 31.171 12.782 1.00 16.12 N ATOM 1550 CA SER A 114 -5.989 31.653 12.203 1.00 17.48 C ATOM 1551 C SER A 114 -6.253 31.056 10.824 1.00 18.09 C ATOM 1552 O SER A 114 -5.458 31.215 9.902 1.00 17.15 O ATOM 1553 CB SER A 114 -5.985 33.172 12.092 1.00 17.40 C ATOM 1554 OG SER A 114 -7.228 33.625 11.585 1.00 21.80 O ATOM 1555 HA SER A 114 -6.784 31.332 12.876 1.00 0.00 H ATOM 1556 HB2 SER A 114 -5.186 33.483 11.419 1.00 0.00 H ATOM 1557 HB3 SER A 114 -5.817 33.606 13.078 1.00 0.00 H ATOM 1558 HG SER A 114 -7.954 33.345 12.197 1.00 0.00 H ATOM 1559 H SER A 114 -3.860 31.212 12.214 1.00 0.00 H ATOM 1560 N LYS A 115 -7.399 30.402 10.678 1.00 19.65 N ATOM 1561 CA LYS A 115 -7.768 29.783 9.409 1.00 20.79 C ATOM 1562 C LYS A 115 -7.853 30.774 8.242 1.00 21.14 C ATOM 1563 O LYS A 115 -7.715 30.371 7.089 1.00 21.61 O ATOM 1564 CB LYS A 115 -9.094 29.038 9.549 1.00 21.54 C ATOM 1565 CG LYS A 115 -8.975 27.727 10.292 1.00 23.35 C ATOM 1566 CD LYS A 115 -10.320 27.016 10.385 1.00 25.81 C ATOM 1567 CE LYS A 115 -10.164 25.509 10.302 1.00 27.40 C ATOM 1568 NZ LYS A 115 -11.463 24.815 10.076 1.00 29.29 N ATOM 1569 HA LYS A 115 -6.965 29.086 9.169 1.00 0.00 H ATOM 1570 HB2 LYS A 115 -9.794 29.677 10.087 1.00 0.00 H ATOM 1571 HB3 LYS A 115 -9.483 28.835 8.551 1.00 0.00 H ATOM 1572 HG2 LYS A 115 -8.269 27.084 9.766 1.00 0.00 H ATOM 1573 HG3 LYS A 115 -8.606 27.922 11.299 1.00 0.00 H ATOM 1574 HD2 LYS A 115 -10.790 27.271 11.335 1.00 0.00 H ATOM 1575 HD3 LYS A 115 -10.955 27.352 9.565 1.00 0.00 H ATOM 1576 HE2 LYS A 115 -9.733 25.149 11.236 1.00 0.00 H ATOM 1577 HE3 LYS A 115 -9.492 25.271 9.478 1.00 0.00 H ATOM 1578 HZ1 LYS A 115 -12.110 25.029 10.862 1.00 0.00 H ATOM 1579 HZ2 LYS A 115 -11.880 25.145 9.182 1.00 0.00 H ATOM 1580 HZ3 LYS A 115 -11.302 23.789 10.027 1.00 0.00 H ATOM 1581 H LYS A 115 -8.049 30.329 11.487 1.00 0.00 H ATOM 1582 N LYS A 116 -8.086 32.051 8.522 1.00 21.00 N ATOM 1583 CA LYS A 116 -8.154 33.057 7.464 1.00 21.44 C ATOM 1584 C LYS A 116 -6.854 33.151 6.658 1.00 20.89 C ATOM 1585 O LYS A 116 -6.855 33.684 5.546 1.00 21.62 O ATOM 1586 CB LYS A 116 -8.519 34.437 8.023 1.00 21.78 C ATOM 1587 CG LYS A 116 -7.415 35.127 8.805 1.00 23.16 C ATOM 1588 CD LYS A 116 -7.930 36.350 9.546 1.00 25.77 C ATOM 1589 CE LYS A 116 -7.087 36.659 10.771 1.00 26.92 C ATOM 1590 NZ LYS A 116 -7.669 36.055 12.003 1.00 28.50 N ATOM 1591 HA LYS A 116 -8.943 32.729 6.788 1.00 0.00 H ATOM 1592 HB2 LYS A 116 -8.793 35.079 7.186 1.00 0.00 H ATOM 1593 HB3 LYS A 116 -9.378 34.318 8.684 1.00 0.00 H ATOM 1594 HG2 LYS A 116 -7.001 34.424 9.528 1.00 0.00 H ATOM 1595 HG3 LYS A 116 -6.632 35.437 8.113 1.00 0.00 H ATOM 1596 HD2 LYS A 116 -7.905 37.208 8.874 1.00 0.00 H ATOM 1597 HD3 LYS A 116 -8.957 36.167 9.861 1.00 0.00 H ATOM 1598 HE2 LYS A 116 -7.031 37.740 10.899 1.00 0.00 H ATOM 1599 HE3 LYS A 116 -6.084 36.260 10.621 1.00 0.00 H ATOM 1600 HZ1 LYS A 116 -8.624 36.436 12.156 1.00 0.00 H ATOM 1601 HZ2 LYS A 116 -7.720 35.022 11.891 1.00 0.00 H ATOM 1602 HZ3 LYS A 116 -7.067 36.287 12.819 1.00 0.00 H ATOM 1603 H LYS A 116 -8.222 32.340 9.512 1.00 0.00 H ATOM 1604 N TYR A 117 -5.750 32.639 7.210 1.00 20.11 N ATOM 1605 CA TYR A 117 -4.458 32.689 6.521 1.00 19.48 C ATOM 1606 C TYR A 117 -4.160 31.427 5.701 1.00 19.17 C ATOM 1607 O TYR A 117 -3.116 31.343 5.060 1.00 18.62 O ATOM 1608 CB TYR A 117 -3.320 32.987 7.507 1.00 19.61 C ATOM 1609 CG TYR A 117 -3.398 34.379 8.110 1.00 19.25 C ATOM 1610 CD1 TYR A 117 -3.527 35.515 7.309 1.00 20.46 C ATOM 1611 CD2 TYR A 117 -3.345 34.565 9.488 1.00 19.57 C ATOM 1612 CE1 TYR A 117 -3.607 36.783 7.859 1.00 21.73 C ATOM 1613 CE2 TYR A 117 -3.417 35.833 10.042 1.00 21.39 C ATOM 1614 CZ TYR A 117 -3.551 36.936 9.222 1.00 21.69 C ATOM 1615 OH TYR A 117 -3.625 38.198 9.763 1.00 24.12 O ATOM 1616 HA TYR A 117 -4.525 33.509 5.806 1.00 0.00 H ATOM 1617 HB3 TYR A 117 -2.371 32.890 6.980 1.00 0.00 H ATOM 1618 HB2 TYR A 117 -3.361 32.257 8.315 1.00 0.00 H ATOM 1619 HD2 TYR A 117 -3.245 33.699 10.142 1.00 0.00 H ATOM 1620 HE2 TYR A 117 -3.368 35.960 11.124 1.00 0.00 H ATOM 1621 HE1 TYR A 117 -3.714 37.655 7.213 1.00 0.00 H ATOM 1622 HD1 TYR A 117 -3.566 35.401 6.226 1.00 0.00 H ATOM 1623 HH TYR A 117 -3.718 38.863 9.035 1.00 0.00 H ATOM 1624 H TYR A 117 -5.809 32.196 8.149 1.00 0.00 H ATOM 1625 N MET A 118 -5.092 30.477 5.685 1.00 19.30 N ATOM 1626 CA MET A 118 -4.913 29.304 4.844 1.00 19.79 C ATOM 1627 C MET A 118 -5.168 29.701 3.392 1.00 19.14 C ATOM 1628 O MET A 118 -6.095 30.473 3.130 1.00 19.33 O ATOM 1629 CB MET A 118 -5.873 28.173 5.227 1.00 20.25 C ATOM 1630 CG MET A 118 -5.619 27.500 6.568 1.00 22.05 C ATOM 1631 SD MET A 118 -6.831 26.229 6.995 1.00 26.69 S ATOM 1632 CE MET A 118 -5.970 24.748 6.475 1.00 26.18 C ATOM 1633 HA MET A 118 -3.895 28.939 4.980 1.00 0.00 H ATOM 1634 HB2 MET A 118 -6.882 28.586 5.248 1.00 0.00 H ATOM 1635 HB3 MET A 118 -5.811 27.408 4.454 1.00 0.00 H ATOM 1636 HG2 MET A 118 -5.636 28.265 7.344 1.00 0.00 H ATOM 1637 HG3 MET A 118 -4.633 27.037 6.538 1.00 0.00 H ATOM 1638 HE1 MET A 118 -5.759 24.808 5.407 1.00 0.00 H ATOM 1639 HE2 MET A 118 -5.034 24.661 7.027 1.00 0.00 H ATOM 1640 HE3 MET A 118 -6.594 23.877 6.675 1.00 0.00 H ATOM 1641 H MET A 118 -5.945 30.573 6.272 1.00 0.00 H ATOM 1642 N LEU A 119 -4.382 29.173 2.456 1.00 19.23 N ATOM 1643 CA LEU A 119 -4.503 29.519 1.038 1.00 19.21 C ATOM 1644 C LEU A 119 -4.377 31.036 0.836 1.00 18.75 C ATOM 1645 O LEU A 119 -5.061 31.608 -0.010 1.00 19.49 O ATOM 1646 CB LEU A 119 -5.825 28.986 0.451 1.00 19.21 C ATOM 1647 CG LEU A 119 -6.045 27.463 0.526 1.00 20.01 C ATOM 1648 CD1 LEU A 119 -7.430 27.061 0.040 1.00 20.81 C ATOM 1649 CD2 LEU A 119 -4.983 26.698 -0.253 1.00 21.24 C ATOM 1650 HA LEU A 119 -3.685 29.040 0.500 1.00 0.00 H ATOM 1651 HB2 LEU A 119 -6.643 29.466 0.987 1.00 0.00 H ATOM 1652 HB3 LEU A 119 -5.862 29.275 -0.599 1.00 0.00 H ATOM 1653 HG LEU A 119 -5.961 27.197 1.580 1.00 0.00 H ATOM 1654 HD21 LEU A 119 -5.016 26.998 -1.300 1.00 0.00 H ATOM 1655 HD22 LEU A 119 -3.999 26.923 0.159 1.00 0.00 H ATOM 1656 HD23 LEU A 119 -5.176 25.628 -0.173 1.00 0.00 H ATOM 1657 HD11 LEU A 119 -8.185 27.545 0.659 1.00 0.00 H ATOM 1658 HD12 LEU A 119 -7.554 27.372 -0.997 1.00 0.00 H ATOM 1659 HD13 LEU A 119 -7.539 25.979 0.111 1.00 0.00 H ATOM 1660 H LEU A 119 -3.654 28.488 2.743 1.00 0.00 H ATOM 1661 N TYR A 120 -3.485 31.678 1.597 1.00 17.76 N ATOM 1662 CA TYR A 120 -3.300 33.132 1.534 1.00 16.93 C ATOM 1663 C TYR A 120 -2.771 33.542 0.154 1.00 16.34 C ATOM 1664 O TYR A 120 -1.791 32.973 -0.322 1.00 15.82 O ATOM 1665 CB TYR A 120 -2.336 33.584 2.638 1.00 17.25 C ATOM 1666 CG TYR A 120 -2.415 35.059 2.945 1.00 17.45 C ATOM 1667 CD1 TYR A 120 -3.568 35.617 3.487 1.00 18.12 C ATOM 1668 CD2 TYR A 120 -1.340 35.897 2.696 1.00 17.95 C ATOM 1669 CE1 TYR A 120 -3.646 36.963 3.767 1.00 17.95 C ATOM 1670 CE2 TYR A 120 -1.407 37.243 2.977 1.00 18.55 C ATOM 1671 CZ TYR A 120 -2.562 37.774 3.513 1.00 19.10 C ATOM 1672 OH TYR A 120 -2.617 39.120 3.789 1.00 20.05 O ATOM 1673 HA TYR A 120 -4.262 33.619 1.690 1.00 0.00 H ATOM 1674 HB3 TYR A 120 -1.319 33.352 2.323 1.00 0.00 H ATOM 1675 HB2 TYR A 120 -2.569 33.030 3.547 1.00 0.00 H ATOM 1676 HD2 TYR A 120 -0.426 35.483 2.270 1.00 0.00 H ATOM 1677 HE2 TYR A 120 -0.551 37.887 2.777 1.00 0.00 H ATOM 1678 HE1 TYR A 120 -4.560 37.384 4.187 1.00 0.00 H ATOM 1679 HD1 TYR A 120 -4.426 34.977 3.694 1.00 0.00 H ATOM 1680 HH TYR A 120 -3.505 39.342 4.166 1.00 0.00 H ATOM 1681 H TYR A 120 -2.901 31.127 2.258 1.00 0.00 H ATOM 1682 N PRO A 121 -3.407 34.508 -0.506 1.00 15.44 N ATOM 1683 CA PRO A 121 -2.963 34.886 -1.859 1.00 15.09 C ATOM 1684 C PRO A 121 -1.623 35.619 -1.903 1.00 14.79 C ATOM 1685 O PRO A 121 -1.364 36.520 -1.090 1.00 14.76 O ATOM 1686 CB PRO A 121 -4.094 35.782 -2.358 1.00 15.03 C ATOM 1687 CG PRO A 121 -4.621 36.393 -1.127 1.00 16.26 C ATOM 1688 CD PRO A 121 -4.598 35.274 -0.098 1.00 15.98 C ATOM 1689 HA PRO A 121 -2.783 34.003 -2.472 1.00 0.00 H ATOM 1690 HD3 PRO A 121 -4.490 35.667 0.913 1.00 0.00 H ATOM 1691 HD2 PRO A 121 -5.500 34.665 -0.155 1.00 0.00 H ATOM 1692 HG3 PRO A 121 -5.638 36.752 -1.281 1.00 0.00 H ATOM 1693 HG2 PRO A 121 -3.989 37.222 -0.808 1.00 0.00 H ATOM 1694 HB2 PRO A 121 -3.715 36.544 -3.040 1.00 0.00 H ATOM 1695 HB3 PRO A 121 -4.862 35.195 -2.861 1.00 0.00 H ATOM 1696 N ASP A 122 -0.803 35.231 -2.873 1.00 14.44 N ATOM 1697 CA ASP A 122 0.544 35.758 -3.095 1.00 14.98 C ATOM 1698 C ASP A 122 0.600 37.311 -3.169 1.00 14.89 C ATOM 1699 O ASP A 122 1.489 37.902 -2.569 1.00 15.20 O ATOM 1700 CB ASP A 122 1.124 35.164 -4.361 1.00 15.44 C ATOM 1701 CG ASP A 122 2.517 35.653 -4.611 1.00 17.40 C ATOM 1702 OD1 ASP A 122 2.688 36.686 -5.298 1.00 18.63 O ATOM 1703 OD2 ASP A 122 3.464 34.990 -4.121 1.00 20.77 O ATOM 1704 HA ASP A 122 1.138 35.467 -2.228 1.00 0.00 H ATOM 1705 HB2 ASP A 122 1.141 34.078 -4.267 1.00 0.00 H ATOM 1706 HB3 ASP A 122 0.494 35.444 -5.205 1.00 0.00 H ATOM 1707 H ASP A 122 -1.144 34.496 -3.525 1.00 0.00 H ATOM 1708 N PHE A 124 -0.338 37.973 -3.868 1.00 16.01 N ATOM 1709 CA PHE A 124 -0.221 39.458 -4.008 1.00 16.91 C ATOM 1710 C PHE A 124 -0.269 40.242 -2.698 1.00 17.24 C ATOM 1711 O PHE A 124 0.159 41.397 -2.642 1.00 17.65 O ATOM 1712 CB PHE A 124 -1.256 39.958 -5.006 1.00 17.40 C ATOM 1713 CG PHE A 124 -2.596 40.247 -4.405 1.00 18.71 C ATOM 1714 CD1 PHE A 124 -3.436 39.203 -4.062 1.00 18.96 C ATOM 1715 CD2 PHE A 124 -3.020 41.543 -4.176 1.00 20.62 C ATOM 1716 CE1 PHE A 124 -4.668 39.443 -3.502 1.00 19.52 C ATOM 1717 CE2 PHE A 124 -4.252 41.790 -3.618 1.00 21.15 C ATOM 1718 CZ PHE A 124 -5.079 40.741 -3.279 1.00 21.10 C ATOM 1719 HA PHE A 124 0.784 39.650 -4.384 1.00 0.00 H ATOM 1720 HB2 PHE A 124 -0.879 40.875 -5.460 1.00 0.00 H ATOM 1721 HB3 PHE A 124 -1.383 39.198 -5.777 1.00 0.00 H ATOM 1722 HD2 PHE A 124 -2.371 42.378 -4.441 1.00 0.00 H ATOM 1723 HE2 PHE A 124 -4.575 42.816 -3.444 1.00 0.00 H ATOM 1724 HZ PHE A 124 -6.055 40.936 -2.836 1.00 0.00 H ATOM 1725 HE1 PHE A 124 -5.319 38.610 -3.235 1.00 0.00 H ATOM 1726 HD1 PHE A 124 -3.117 38.176 -4.238 1.00 0.00 H ATOM 1727 H PHE A 124 -1.132 37.462 -4.304 1.00 0.00 H ATOM 1728 N LEU A 125 -0.772 39.630 -1.627 1.00 17.69 N ATOM 1729 CA LEU A 125 -0.794 40.283 -0.317 1.00 18.57 C ATOM 1730 C LEU A 125 0.535 40.110 0.433 1.00 18.89 C ATOM 1731 O LEU A 125 0.673 40.531 1.586 1.00 19.81 O ATOM 1732 CB LEU A 125 -1.961 39.758 0.516 1.00 18.58 C ATOM 1733 CG LEU A 125 -3.330 40.168 -0.043 1.00 20.07 C ATOM 1734 CD1 LEU A 125 -4.466 39.559 0.753 1.00 20.82 C ATOM 1735 CD2 LEU A 125 -3.472 41.683 -0.076 1.00 21.60 C ATOM 1736 HA LEU A 125 -0.931 41.352 -0.482 1.00 0.00 H ATOM 1737 HB2 LEU A 125 -1.908 38.670 0.541 1.00 0.00 H ATOM 1738 HB3 LEU A 125 -1.868 40.149 1.529 1.00 0.00 H ATOM 1739 HG LEU A 125 -3.387 39.785 -1.062 1.00 0.00 H ATOM 1740 HD21 LEU A 125 -3.373 42.078 0.935 1.00 0.00 H ATOM 1741 HD22 LEU A 125 -2.693 42.106 -0.710 1.00 0.00 H ATOM 1742 HD23 LEU A 125 -4.451 41.946 -0.476 1.00 0.00 H ATOM 1743 HD11 LEU A 125 -4.392 38.472 0.717 1.00 0.00 H ATOM 1744 HD12 LEU A 125 -4.403 39.894 1.788 1.00 0.00 H ATOM 1745 HD13 LEU A 125 -5.418 39.874 0.325 1.00 0.00 H ATOM 1746 H LEU A 125 -1.157 38.669 -1.724 1.00 0.00 H ATOM 1747 N CYS A 126 1.513 39.510 -0.234 1.00 19.27 N ATOM 1748 CA CYS A 126 2.839 39.299 0.343 1.00 20.17 C ATOM 1749 C CYS A 126 3.887 40.009 -0.498 1.00 21.91 C ATOM 1750 O CYS A 126 4.380 39.434 -1.468 1.00 22.81 O ATOM 1751 CB CYS A 126 3.162 37.812 0.359 1.00 19.93 C ATOM 1752 SG CYS A 126 1.981 36.833 1.290 1.00 17.26 S ATOM 1753 HA CYS A 126 2.845 39.695 1.359 1.00 0.00 H ATOM 1754 HB2 CYS A 126 4.148 37.678 0.803 1.00 0.00 H ATOM 1755 HB3 CYS A 126 3.176 37.451 -0.669 1.00 0.00 H ATOM 1756 H CYS A 126 1.329 39.178 -1.202 1.00 0.00 H ATOM 1757 N LYS A 127 4.235 41.238 -0.124 1.00 23.67 N ATOM 1758 CA LYS A 127 5.197 42.022 -0.894 1.00 24.94 C ATOM 1759 C LYS A 127 6.328 42.525 -0.004 1.00 25.58 C ATOM 1760 O LYS A 127 6.120 42.802 1.179 1.00 26.01 O ATOM 1761 CB LYS A 127 4.527 43.244 -1.549 1.00 25.39 C ATOM 1762 CG LYS A 127 3.011 43.166 -1.749 1.00 26.86 C ATOM 1763 CD LYS A 127 2.343 44.480 -1.324 1.00 28.63 C ATOM 1764 CE LYS A 127 2.199 45.469 -2.467 1.00 29.44 C ATOM 1765 NZ LYS A 127 0.787 45.559 -2.937 1.00 30.75 N ATOM 1766 HA LYS A 127 5.593 41.362 -1.666 1.00 0.00 H ATOM 1767 HB2 LYS A 127 4.735 44.111 -0.922 1.00 0.00 H ATOM 1768 HB3 LYS A 127 4.984 43.387 -2.528 1.00 0.00 H ATOM 1769 HG2 LYS A 127 2.797 42.979 -2.801 1.00 0.00 H ATOM 1770 HG3 LYS A 127 2.611 42.350 -1.148 1.00 0.00 H ATOM 1771 HD2 LYS A 127 1.351 44.255 -0.932 1.00 0.00 H ATOM 1772 HD3 LYS A 127 2.946 44.939 -0.541 1.00 0.00 H ATOM 1773 HE2 LYS A 127 2.829 45.147 -3.296 1.00 0.00 H ATOM 1774 HE3 LYS A 127 2.523 46.453 -2.127 1.00 0.00 H ATOM 1775 HZ1 LYS A 127 0.473 44.624 -3.268 1.00 0.00 H ATOM 1776 HZ2 LYS A 127 0.181 45.872 -2.152 1.00 0.00 H ATOM 1777 HZ3 LYS A 127 0.726 46.243 -3.718 1.00 0.00 H ATOM 1778 H LYS A 127 3.813 41.648 0.734 1.00 0.00 H ATOM 1779 N GLY A 128 7.520 42.646 -0.578 1.00 26.34 N ATOM 1780 CA GLY A 128 8.646 43.227 0.132 1.00 26.80 C ATOM 1781 C GLY A 128 9.589 42.202 0.719 1.00 27.27 C ATOM 1782 O GLY A 128 9.170 41.131 1.146 1.00 27.49 O ATOM 1783 HA3 GLY A 128 8.260 43.844 0.943 1.00 0.00 H ATOM 1784 HA2 GLY A 128 9.206 43.852 -0.563 1.00 0.00 H ATOM 1785 H GLY A 128 7.650 42.318 -1.556 1.00 0.00 H ATOM 1786 N GLU A 129 10.872 42.540 0.751 1.00 27.79 N ATOM 1787 CA GLU A 129 11.868 41.640 1.310 1.00 27.98 C ATOM 1788 C GLU A 129 12.013 41.857 2.796 1.00 27.44 C ATOM 1789 O GLU A 129 11.929 42.979 3.292 1.00 27.60 O ATOM 1790 CB GLU A 129 13.234 41.826 0.654 1.00 28.38 C ATOM 1791 CG GLU A 129 13.689 40.622 -0.152 1.00 30.04 C ATOM 1792 CD GLU A 129 14.039 39.422 0.706 1.00 31.90 C ATOM 1793 OE1 GLU A 129 15.245 39.150 0.891 1.00 34.16 O ATOM 1794 OE2 GLU A 129 13.109 38.742 1.188 1.00 33.66 O ATOM 1795 HA GLU A 129 11.518 40.627 1.114 1.00 0.00 H ATOM 1796 HB2 GLU A 129 13.183 42.688 -0.012 1.00 0.00 H ATOM 1797 HB3 GLU A 129 13.969 42.016 1.436 1.00 0.00 H ATOM 1798 HG2 GLU A 129 12.887 40.338 -0.833 1.00 0.00 H ATOM 1799 HG3 GLU A 129 14.570 40.904 -0.728 1.00 0.00 H ATOM 1800 H GLU A 129 11.169 43.461 0.371 1.00 0.00 H ATOM 1801 N LEU A 130 12.218 40.751 3.494 1.00 26.77 N ATOM 1802 CA LEU A 130 12.466 40.763 4.916 1.00 26.17 C ATOM 1803 C LEU A 130 13.725 39.939 5.072 1.00 25.25 C ATOM 1804 O LEU A 130 13.735 38.749 4.754 1.00 24.73 O ATOM 1805 CB LEU A 130 11.298 40.136 5.664 1.00 26.57 C ATOM 1806 CG LEU A 130 11.100 40.645 7.087 1.00 27.87 C ATOM 1807 CD1 LEU A 130 9.680 40.384 7.528 1.00 28.69 C ATOM 1808 CD2 LEU A 130 12.096 40.013 8.036 1.00 28.57 C ATOM 1809 HA LEU A 130 12.577 41.768 5.323 1.00 0.00 H ATOM 1810 HB2 LEU A 130 10.387 40.339 5.101 1.00 0.00 H ATOM 1811 HB3 LEU A 130 11.463 39.060 5.709 1.00 0.00 H ATOM 1812 HG LEU A 130 11.278 41.720 7.104 1.00 0.00 H ATOM 1813 HD21 LEU A 130 11.965 38.931 8.031 1.00 0.00 H ATOM 1814 HD22 LEU A 130 13.108 40.259 7.715 1.00 0.00 H ATOM 1815 HD23 LEU A 130 11.930 40.396 9.043 1.00 0.00 H ATOM 1816 HD11 LEU A 130 8.992 40.902 6.859 1.00 0.00 H ATOM 1817 HD12 LEU A 130 9.482 39.313 7.496 1.00 0.00 H ATOM 1818 HD13 LEU A 130 9.544 40.750 8.546 1.00 0.00 H ATOM 1819 H LEU A 130 12.200 39.837 2.998 1.00 0.00 H ATOM 1820 N LYS A 131 14.797 40.572 5.530 1.00 24.01 N ATOM 1821 CA LYS A 131 16.076 39.890 5.647 1.00 23.52 C ATOM 1822 C LYS A 131 16.122 38.911 6.837 1.00 22.76 C ATOM 1823 O LYS A 131 15.639 39.209 7.923 1.00 21.68 O ATOM 1824 CB LYS A 131 17.216 40.901 5.761 1.00 23.73 C ATOM 1825 CG LYS A 131 17.175 41.981 4.691 1.00 24.68 C ATOM 1826 CD LYS A 131 18.407 42.869 4.742 1.00 25.30 C ATOM 1827 CE LYS A 131 18.420 43.862 3.588 1.00 26.08 C ATOM 1828 NZ LYS A 131 19.620 44.745 3.629 1.00 26.62 N ATOM 1829 HA LYS A 131 16.199 39.302 4.738 1.00 0.00 H ATOM 1830 HB2 LYS A 131 17.157 41.380 6.738 1.00 0.00 H ATOM 1831 HB3 LYS A 131 18.162 40.366 5.677 1.00 0.00 H ATOM 1832 HG2 LYS A 131 17.122 41.506 3.711 1.00 0.00 H ATOM 1833 HG3 LYS A 131 16.289 42.597 4.844 1.00 0.00 H ATOM 1834 HD2 LYS A 131 18.411 43.418 5.684 1.00 0.00 H ATOM 1835 HD3 LYS A 131 19.298 42.244 4.684 1.00 0.00 H ATOM 1836 HE2 LYS A 131 17.524 44.481 3.645 1.00 0.00 H ATOM 1837 HE3 LYS A 131 18.420 43.310 2.648 1.00 0.00 H ATOM 1838 HZ1 LYS A 131 19.625 45.280 4.521 1.00 0.00 H ATOM 1839 HZ2 LYS A 131 20.480 44.163 3.568 1.00 0.00 H ATOM 1840 HZ3 LYS A 131 19.590 45.406 2.826 1.00 0.00 H ATOM 1841 H LYS A 131 14.722 41.571 5.810 1.00 0.00 H ATOM 1842 N CYS A 133 16.759 37.745 6.635 1.00 18.35 N ATOM 1843 CA CYS A 133 16.930 36.700 7.652 1.00 18.25 C ATOM 1844 C CYS A 133 17.872 37.183 8.762 1.00 18.73 C ATOM 1845 O CYS A 133 17.772 36.741 9.909 1.00 19.96 O ATOM 1846 CB CYS A 133 17.485 35.421 7.036 1.00 17.90 C ATOM 1847 SG CYS A 133 16.215 34.364 6.261 1.00 17.45 S ATOM 1848 HA CYS A 133 15.949 36.487 8.077 1.00 0.00 H ATOM 1849 HB2 CYS A 133 17.978 34.847 7.821 1.00 0.00 H ATOM 1850 HB3 CYS A 133 18.216 35.695 6.275 1.00 0.00 H ATOM 1851 H CYS A 133 17.159 37.571 5.691 1.00 0.00 H TER 1852 CYS A 133 HETATM 1853 O HOH 1 23.117 13.955 3.967 1.00 9.83 O HETATM 1854 O HOH 2 13.315 17.863 6.423 1.00 10.94 O HETATM 1855 O HOH 3 26.713 19.349 1.664 1.00 11.67 O HETATM 1856 O HOH 4 13.252 26.719 12.162 1.00 10.12 O HETATM 1857 O HOH 5 10.904 27.929 12.930 1.00 10.87 O HETATM 1858 O HOH 6 23.140 17.288 0.544 1.00 12.30 O HETATM 1859 O HOH 7 28.391 14.391 7.343 1.00 12.68 O HETATM 1860 O HOH 8 16.055 22.975 17.307 1.00 11.95 O HETATM 1861 O HOH 9 21.078 17.139 2.579 1.00 11.30 O HETATM 1862 O HOH 10 -0.153 32.451 14.761 1.00 13.12 O HETATM 1863 O HOH 11 22.946 11.257 3.169 1.00 12.03 O HETATM 1864 O HOH 12 16.742 25.684 14.652 1.00 11.21 O HETATM 1865 O HOH 13 0.888 33.157 19.419 1.00 15.50 O HETATM 1866 O HOH 14 20.287 23.863 11.947 1.00 13.02 O HETATM 1867 O HOH 15 26.507 16.664 5.401 1.00 15.15 O HETATM 1868 O HOH 16 17.669 10.162 3.147 1.00 15.22 O HETATM 1869 O HOH 17 7.483 31.957 18.358 1.00 13.97 O HETATM 1870 O HOH 18 17.846 17.719 19.270 1.00 17.16 O HETATM 1871 O HOH 19 7.582 35.377 16.299 1.00 15.43 O HETATM 1872 O HOH 20 0.620 27.244 14.933 1.00 13.61 O HETATM 1873 O HOH 21 7.136 32.777 15.759 1.00 13.52 O HETATM 1874 O HOH 22 22.732 8.880 7.087 1.00 13.58 O HETATM 1875 O HOH 23 18.790 9.098 7.912 1.00 16.12 O HETATM 1876 O HOH 24 24.956 23.701 3.331 1.00 16.70 O HETATM 1877 O HOH 25 0.331 36.098 16.182 1.00 18.79 O HETATM 1878 O HOH 26 20.083 36.770 11.311 1.00 17.28 O HETATM 1879 O HOH 27 -5.290 19.998 10.051 1.00 17.75 O HETATM 1880 O HOH 28 11.353 19.710 4.186 1.00 16.96 O HETATM 1881 O HOH 29 1.051 38.008 -6.955 1.00 19.07 O HETATM 1882 O HOH 30 16.282 10.611 0.937 1.00 16.16 O HETATM 1883 O HOH 31 -3.306 35.132 13.588 1.00 17.98 O HETATM 1884 O HOH 32 5.260 39.602 11.331 1.00 18.22 O HETATM 1885 O HOH 33 19.439 7.489 20.471 1.00 17.85 O HETATM 1886 O HOH 34 22.693 9.294 17.716 1.00 24.12 O HETATM 1887 O HOH 35 9.508 14.134 1.725 1.00 18.54 O HETATM 1888 O HOH 36 12.932 9.196 13.395 1.00 19.47 O HETATM 1889 O HOH 37 11.368 19.318 21.831 1.00 19.02 O HETATM 1890 O HOH 38 18.807 14.134 13.405 1.00 18.58 O HETATM 1891 O HOH 39 10.599 11.007 3.858 1.00 22.49 O HETATM 1892 O HOH 40 17.856 21.616 20.121 1.00 20.97 O HETATM 1893 O HOH 41 19.746 11.152 11.573 1.00 20.61 O HETATM 1894 O HOH 42 29.538 22.343 1.382 1.00 19.80 O HETATM 1895 O HOH 43 2.182 30.322 2.023 1.00 20.64 O HETATM 1896 O HOH 44 -2.085 26.271 5.007 1.00 20.07 O HETATM 1897 O HOH 45 8.934 31.966 22.065 1.00 19.86 O HETATM 1898 O HOH 46 26.434 20.196 6.444 1.00 23.07 O HETATM 1899 O HOH 47 12.849 11.024 1.420 1.00 20.89 O HETATM 1900 O HOH 48 -0.145 27.597 21.869 1.00 21.79 O HETATM 1901 O HOH 49 21.758 15.273 15.411 1.00 21.85 O HETATM 1902 O HOH 50 -6.291 33.397 2.970 1.00 23.72 O HETATM 1903 O HOH 51 20.553 25.963 9.523 1.00 21.27 O HETATM 1904 O HOH 52 8.492 18.777 21.931 1.00 20.75 O HETATM 1905 O HOH 53 15.653 17.510 23.660 1.00 29.03 O HETATM 1906 O HOH 54 14.792 43.295 6.447 1.00 33.52 O HETATM 1907 O HOH 55 2.380 31.505 23.082 1.00 22.66 O HETATM 1908 O HOH 56 22.637 8.044 15.274 1.00 23.65 O HETATM 1909 O HOH 57 3.768 13.718 6.591 1.00 23.99 O HETATM 1910 O HOH 58 12.467 8.097 -0.889 1.00 24.36 O HETATM 1911 O HOH 59 8.597 12.562 11.619 1.00 19.74 O HETATM 1912 O HOH 60 -5.960 24.474 10.104 1.00 27.66 O HETATM 1913 O HOH 61 26.854 17.644 12.737 1.00 30.25 O HETATM 1914 O HOH 62 -1.611 25.871 23.187 1.00 23.76 O HETATM 1915 O HOH 63 -5.752 16.903 12.095 1.00 24.81 O HETATM 1916 O HOH 64 1.006 33.333 0.048 1.00 24.12 O HETATM 1917 O HOH 65 -6.721 19.183 14.490 1.00 26.31 O HETATM 1918 O HOH 66 12.568 9.649 10.786 1.00 19.14 O HETATM 1919 O HOH 67 5.865 37.604 18.492 1.00 23.46 O HETATM 1920 O HOH 68 4.814 34.028 20.159 1.00 25.93 O HETATM 1921 O HOH 69 6.672 27.644 26.473 1.00 29.86 O HETATM 1922 O HOH 70 20.360 9.785 3.111 1.00 19.36 O HETATM 1923 O HOH 71 -4.888 39.976 4.971 1.00 30.88 O HETATM 1924 O HOH 72 -5.311 15.328 15.502 1.00 25.77 O HETATM 1925 O HOH 73 -1.282 40.560 10.066 1.00 29.13 O HETATM 1926 O HOH 74 14.688 41.233 8.989 1.00 35.81 O HETATM 1927 O HOH 75 -1.066 23.302 0.110 1.00 28.80 O HETATM 1928 O HOH 76 -1.877 15.153 4.742 1.00 27.74 O HETATM 1929 O HOH 77 10.382 4.416 3.815 1.00 41.33 O HETATM 1930 O HOH 78 27.292 14.147 11.755 1.00 24.88 O HETATM 1931 O HOH 79 -8.774 29.712 3.001 1.00 30.16 O HETATM 1932 O HOH 80 1.686 41.183 7.574 1.00 41.47 O HETATM 1933 O HOH 81 15.212 6.606 16.407 1.00 23.22 O HETATM 1934 O HOH 82 20.477 7.052 24.155 1.00 24.45 O HETATM 1935 O HOH 83 32.130 23.326 1.878 1.00 30.81 O HETATM 1936 O HOH 84 5.637 35.015 -0.171 1.00 25.83 O HETATM 1937 O HOH 85 11.049 8.059 20.931 1.00 28.18 O HETATM 1938 O HOH 86 3.680 9.975 14.898 1.00 30.42 O HETATM 1939 O HOH 87 7.583 9.860 24.561 1.00 29.90 O HETATM 1940 O HOH 88 16.177 3.772 8.340 1.00 33.42 O HETATM 1941 O HOH 89 7.787 10.383 7.651 1.00 24.61 O HETATM 1942 O HOH 90 10.834 9.540 15.224 1.00 31.12 O HETATM 1943 O HOH 91 27.896 26.772 -0.202 1.00 31.10 O HETATM 1944 O HOH 92 14.232 8.195 24.407 1.00 31.68 O HETATM 1945 O HOH 93 -9.620 32.738 11.029 1.00 29.71 O HETATM 1946 O HOH 94 -6.531 21.777 15.488 1.00 34.94 O HETATM 1947 O HOH 95 16.979 8.312 25.071 1.00 30.70 O HETATM 1948 O HOH 96 -8.534 22.504 12.629 1.00 40.56 O HETATM 1949 O HOH 97 8.293 43.604 7.658 1.00 33.85 O HETATM 1950 O HOH 98 13.437 4.616 12.857 1.00 32.29 O HETATM 1951 O HOH 99 -4.920 17.189 3.181 1.00 31.14 O HETATM 1952 O HOH 100 -8.518 31.955 -0.328 1.00 37.31 O HETATM 1953 O HOH 101 0.732 33.871 22.121 1.00 36.26 O HETATM 1954 O HOH 102 20.562 16.055 19.593 1.00 36.57 O HETATM 1955 O HOH 103 8.515 18.468 25.688 1.00 31.05 O HETATM 1956 O HOH 104 20.792 11.668 20.287 1.00 30.05 O HETATM 1957 O HOH 105 4.257 30.499 24.831 1.00 30.78 O HETATM 1958 O HOH 106 -10.370 24.972 7.219 1.00 36.73 O HETATM 1959 O HOH 107 -5.583 33.239 21.728 1.00 32.71 O HETATM 1960 O HOH 108 21.615 18.082 16.184 1.00 31.79 O HETATM 1961 O HOH 109 20.253 45.185 6.185 1.00 31.20 O HETATM 1962 O HOH 110 -1.156 39.187 13.393 1.00 28.91 O HETATM 1963 O HOH 111 -1.538 21.071 20.858 1.00 41.51 O HETATM 1964 O HOH 112 9.753 8.132 24.164 1.00 38.42 O HETATM 1965 O HOH 113 -3.755 24.524 2.562 1.00 29.56 O HETATM 1966 O HOH 114 -9.882 29.461 5.526 1.00 39.13 O HETATM 1967 O HOH 115 25.748 28.969 5.020 1.00 42.19 O HETATM 1968 O HOH 116 -3.093 31.916 24.950 1.00 41.52 O HETATM 1969 O HOH 117 -4.898 37.161 12.964 1.00 47.74 O HETATM 1970 O HOH 118 1.941 40.955 10.630 1.00 30.99 O HETATM 1971 O HOH 119 7.904 41.993 -3.285 1.00 40.80 O HETATM 1972 O HOH 120 -2.961 42.092 7.190 1.00 42.69 O HETATM 1973 O HOH 121 19.007 17.259 21.597 1.00 51.76 O HETATM 1974 O HOH 122 10.762 8.912 27.035 1.00 47.09 O HETATM 1975 O HOH 123 4.315 40.995 -3.961 1.00 42.87 O HETATM 1976 O HOH 124 13.829 17.856 27.803 1.00 54.95 O HETATM 1977 O HOH 125 11.725 44.056 -1.426 1.00 60.31 O HETATM 1978 O HOH 126 -0.821 41.893 3.430 1.00 36.74 O HETATM 1979 O HOH 127 10.677 16.829 29.141 1.00 59.23 O HETATM 1980 O HOH 128 21.375 19.378 19.651 1.00 47.98 O HETATM 1981 O HOH 129 5.664 34.749 -5.810 1.00 45.00 O HETATM 1982 O HOH 130 7.235 7.572 15.943 1.00 37.93 O HETATM 1983 O HOH 131 27.778 27.598 8.574 1.00 33.73 O HETATM 1984 O HOH 132 -5.772 35.090 18.703 1.00 44.55 O HETATM 1985 O HOH 133 -7.708 28.295 14.052 1.00 56.50 O HETATM 1986 O HOH 134 23.246 31.961 6.742 1.00 36.53 O HETATM 1987 O HOH 135 2.452 40.813 4.287 1.00 30.14 O HETATM 1988 O HOH 136 22.088 32.124 3.565 1.00 40.60 O HETATM 1989 O HOH 137 -10.461 35.505 11.811 1.00 60.73 O HETATM 1990 O HOH 138 7.854 34.878 -3.123 1.00 63.37 O HETATM 1991 O HOH 139 10.939 44.955 6.536 1.00 66.67 O HETATM 1992 O HOH 140 10.322 15.785 -0.895 1.00 37.76 O HETATM 1993 O HOH 141 19.400 38.502 5.145 1.00 69.13 O HETATM 1994 O HOH 142 -2.163 36.942 15.533 1.00 25.78 O HETATM 1995 O HOH 143 9.886 10.248 11.071 1.00 23.00 O HETATM 1996 O HOH 144 28.992 22.417 4.092 1.00 25.33 O HETATM 1997 O HOH 145 2.481 28.139 0.664 1.00 45.40 O HETATM 1998 O HOH 146 2.426 12.219 12.994 1.00 29.57 O HETATM 1999 O HOH 147 -2.883 13.141 5.659 1.00 38.94 O HETATM 2000 O HOH 148 10.250 11.498 1.550 1.00 28.46 O HETATM 2001 O HOH 149 9.433 9.280 5.769 1.00 23.64 O HETATM 2002 O HOH 150 -5.785 13.160 6.171 1.00 31.63 O HETATM 2003 O HOH 151 14.370 22.924 21.945 1.00 18.97 O HETATM 2004 O HOH 152 24.441 14.785 16.333 1.00 45.79 O HETATM 2005 O HOH 153 26.600 21.184 3.773 1.00 18.23 O HETATM 2006 O HOH 154 6.626 19.841 22.564 1.00 34.44 O HETATM 2007 O HOH 155 1.828 11.124 10.499 1.00 28.81 O HETATM 2008 O HOH 156 12.115 23.948 23.433 1.00 35.90 O HETATM 2009 O HOH 157 10.197 22.442 24.452 1.00 28.27 O HETATM 2010 O HOH 158 -6.975 26.211 14.971 1.00 30.00 O HETATM 2011 O HOH 159 -8.716 21.533 8.064 1.00 27.61 O HETATM 2012 O HOH 160 8.554 8.626 9.386 1.00 25.35 O HETATM 2013 O HOH 161 20.496 13.541 11.607 1.00 20.61 O HETATM 2014 O HOH 162 -5.977 30.117 17.443 1.00 28.47 O HETATM 2015 O HOH 163 26.623 28.416 -1.574 1.00 32.20 O HETATM 2016 O HOH 164 -5.884 12.548 9.168 1.00 31.11 O HETATM 2017 O HOH 165 -5.529 14.014 11.564 1.00 31.40 O HETATM 2018 O HOH 166 -5.590 19.627 1.819 1.00 40.34 O HETATM 2019 O HOH 167 13.341 6.711 14.461 1.00 23.86 O HETATM 2020 O HOH 168 26.339 17.630 15.549 1.00 53.64 O HETATM 2021 O HOH 169 -8.356 23.113 9.892 1.00 51.51 O HETATM 2022 O HOH 170 10.899 13.372 -0.685 1.00 36.88 O HETATM 2023 O HOH 171 0.525 13.203 8.414 1.00 28.44 O HETATM 2024 O HOH 172 10.594 5.656 11.026 1.00 37.52 O HETATM 2025 O HOH 173 9.342 6.677 13.148 1.00 45.50 O HETATM 2026 O HOH 174 8.596 42.384 10.066 1.00 31.23 O HETATM 2027 O HOH 175 17.503 9.313 27.144 1.00 49.23 O HETATM 2028 O HOH 176 15.159 9.755 -1.300 1.00 20.20 O HETATM 2029 O HOH 177 -1.469 11.775 7.463 1.00 47.66 O HETATM 2030 O HOH 178 1.192 36.133 18.809 1.00 27.97 O HETATM 2031 O HOH 179 6.168 32.664 22.269 1.00 24.80 O HETATM 2032 O HOH 180 10.199 9.803 17.602 1.00 36.37 O HETATM 2033 O HOH 181 27.224 10.312 12.054 1.00 30.72 O HETATM 2034 O HOH 182 7.296 35.390 19.030 1.00 22.59 O HETATM 2035 O HOH 183 15.235 27.840 13.808 1.00 10.30 O HETATM 2036 O HOH 184 -7.806 36.557 4.741 1.00 29.86 O HETATM 2037 O HOH 185 -6.793 38.557 6.484 1.00 31.97 O HETATM 2038 O HOH 186 27.166 15.331 15.940 1.00 42.22 O HETATM 2039 O HOH 187 7.119 43.917 3.497 1.00 46.37 O HETATM 2040 O HOH 188 12.984 12.134 10.365 1.00 25.53 O HETATM 2041 O HOH 189 6.162 44.241 -4.527 1.00 57.04 O HETATM 2042 O HOH 190 4.647 46.270 -4.608 1.00 51.44 O HETATM 2043 O HOH 191 12.692 15.312 28.271 1.00 33.82 O HETATM 2044 O HOH 192 10.383 19.156 27.404 1.00 37.71 O HETATM 2045 O HOH 193 15.597 15.644 26.101 1.00 34.16 O HETATM 2046 O HOH 194 -7.564 40.180 13.335 1.00 57.28 O HETATM 2047 O HOH 195 -5.283 35.282 16.210 1.00 36.57 O HETATM 2048 O HOH 196 -8.360 28.766 17.907 1.00 59.79 O HETATM 2049 O HOH 197 1.955 40.122 -8.042 1.00 33.01 O HETATM 2050 O HOH 198 -6.684 28.283 16.206 1.00 46.63 O HETATM 2051 O HOH 199 6.772 9.007 22.279 1.00 29.92 O HETATM 2052 O HOH 200 -11.743 31.361 5.971 1.00 54.62 O HETATM 2053 O HOH 201 -6.214 41.365 11.736 1.00 50.00 O HETATM 2054 O HOH 202 -11.701 31.429 17.102 1.00 38.77 O HETATM 2055 O HOH 203 13.739 41.887 -2.783 1.00 53.60 O HETATM 2056 O HOH 204 11.521 32.954 2.495 1.00 29.02 O HETATM 2057 O HOH 205 6.561 25.313 5.503 1.00 24.26 O HETATM 2058 O HOH 206 16.009 40.305 -2.186 1.00 44.19 O HETATM 2059 O HOH 207 5.155 23.973 7.086 1.00 32.94 O HETATM 2060 O HOH 208 2.564 15.652 4.891 1.00 22.30 O HETATM 2061 O HOH 209 1.509 14.332 2.597 1.00 36.80 O HETATM 2062 O HOH 210 13.829 36.201 3.615 1.00 26.50 O HETATM 2063 O HOH 211 11.530 37.829 2.573 1.00 23.76 O HETATM 2064 O HOH 212 9.259 23.237 4.620 1.00 35.25 O HETATM 2065 O HOH 213 0.920 16.014 8.802 1.00 17.59 O HETATM 2066 O HOH 214 19.178 32.096 5.534 1.00 21.73 O HETATM 2067 O HOH 215 12.818 33.660 4.821 1.00 20.00 O HETATM 2068 O HOH 216 17.561 32.558 3.384 1.00 25.73 O HETATM 2069 O HOH 217 20.789 38.209 7.226 1.00 64.07 O HETATM 2070 O HOH 218 20.661 29.767 0.912 1.00 35.10 O HETATM 2071 O HOH 219 0.286 16.395 6.074 1.00 17.56 O HETATM 2072 O HOH 220 5.165 21.396 5.900 1.00 32.87 O HETATM 2073 O HOH 221 10.492 21.612 2.383 1.00 33.16 O HETATM 2074 O HOH 222 6.730 23.115 4.243 1.00 32.67 O HETATM 2075 O HOH 223 5.415 18.743 5.763 1.00 27.06 O HETATM 2076 O HOH 224 18.698 23.820 2.476 1.00 24.84 O HETATM 2077 O HOH 225 -0.698 43.953 -1.679 1.00 43.97 O HETATM 2078 O HOH 226 2.882 14.646 0.420 1.00 34.10 O HETATM 2079 O HOH 227 7.258 15.110 0.372 1.00 33.21 O HETATM 2080 O HOH 228 6.988 8.854 19.210 1.00 35.21 O HETATM 2081 O HOH 229 7.051 8.783 29.050 1.00 42.16 O HETATM 2082 O HOH 230 5.082 9.915 7.139 1.00 33.94 O HETATM 2083 O HOH 231 16.862 24.443 0.930 1.00 33.09 O HETATM 2084 O HOH 232 14.005 44.638 4.083 1.00 64.07 O HETATM 2085 O HOH 233 4.762 16.406 1.333 1.00 26.83 O HETATM 2086 O HOH 234 4.157 17.547 3.898 1.00 37.58 O HETATM 2087 O HOH 235 7.057 5.973 13.978 1.00 49.48 O HETATM 2088 O HOH 236 8.001 11.180 17.792 1.00 26.75 O HETATM 2089 O HOH 237 8.612 7.450 20.858 1.00 43.58 O HETATM 2090 O HOH 238 8.929 26.857 6.900 1.00 17.73 O HETATM 2091 O HOH 239 5.168 7.257 23.387 1.00 38.34 O HETATM 2092 O HOH 240 24.903 30.142 -1.085 1.00 41.04 O HETATM 2093 O HOH 241 21.955 30.002 -1.352 1.00 43.95 O HETATM 2094 O HOH 242 11.959 3.587 7.135 1.00 40.35 O HETATM 2095 O HOH 243 18.659 23.762 -0.671 1.00 33.85 O HETATM 2096 O HOH 244 16.524 26.935 0.965 1.00 33.32 O HETATM 2097 O HOH 245 14.748 28.688 2.375 1.00 27.16 O HETATM 2098 O HOH 246 19.726 28.078 -0.589 1.00 40.96 O HETATM 2099 O HOH 247 17.215 21.011 -2.284 1.00 32.94 O HETATM 2100 C10 OIN A 248 14.350 22.890 1.409 1.00 -0.04 C HETATM 2101 N OIN A 248 13.953 23.798 0.323 1.00 0.24 N HETATM 2102 C11 OIN A 248 14.244 25.158 0.370 1.00 -0.02 C HETATM 2103 C17 OIN A 248 13.974 25.584 -1.031 1.00 -0.00 C HETATM 2104 C16 OIN A 248 12.667 24.807 -1.200 1.00 -0.00 C HETATM 2105 C15 OIN A 248 12.631 24.165 0.147 1.00 -0.02 C HETATM 2106 C14 OIN A 248 11.773 24.690 1.264 1.00 0.02 C HETATM 2107 C13 OIN A 248 12.412 25.940 1.798 1.00 0.10 C HETATM 2108 C12 OIN A 248 13.918 26.049 1.545 1.00 0.02 C HETATM 2109 H14 OIN A 248 14.186 27.090 1.313 1.00 0.03 H HETATM 2110 H15 OIN A 248 14.474 25.717 2.434 1.00 0.03 H HETATM 2111 O2 OIN A 248 11.572 26.825 2.627 1.00 -0.27 O HETATM 2112 C7 OIN A 248 10.338 26.192 3.149 1.00 0.25 C HETATM 2113 O3 OIN A 248 10.444 25.473 4.136 1.00 -0.37 O HETATM 2114 C9 OIN A 248 8.963 26.451 2.529 1.00 0.12 C HETATM 2115 C8 OIN A 248 7.855 26.285 3.561 1.00 0.07 C HETATM 2116 OH OIN A 248 7.942 27.237 4.607 1.00 -0.39 O HETATM 2117 H19 OIN A 248 8.775 27.140 5.053 1.00 0.21 H HETATM 2118 H17 OIN A 248 7.925 25.277 3.995 1.00 0.06 H HETATM 2119 H18 OIN A 248 6.884 26.401 3.058 1.00 0.06 H HETATM 2120 C6 OIN A 248 8.698 25.610 1.317 1.00 -0.02 C HETATM 2121 C5 OIN A 248 8.362 26.233 0.121 1.00 -0.06 C HETATM 2122 C4 OIN A 248 8.138 25.489 -1.028 1.00 -0.07 C HETATM 2123 C3 OIN A 248 8.240 24.110 -0.995 1.00 -0.07 C HETATM 2124 C2 OIN A 248 8.578 23.479 0.187 1.00 -0.07 C HETATM 2125 C1 OIN A 248 8.800 24.223 1.338 1.00 -0.06 C HETATM 2126 H24 OIN A 248 9.055 23.718 2.262 1.00 0.06 H HETATM 2127 H23 OIN A 248 8.670 22.399 0.216 1.00 0.06 H HETATM 2128 H22 OIN A 248 8.056 23.528 -1.891 1.00 0.06 H HETATM 2129 H21 OIN A 248 7.882 25.990 -1.955 1.00 0.06 H HETATM 2130 H20 OIN A 248 8.274 27.313 0.086 1.00 0.06 H HETATM 2131 H16 OIN A 248 8.951 27.501 2.201 1.00 0.07 H HETATM 2132 H13 OIN A 248 12.185 26.529 0.897 1.00 0.07 H HETATM 2133 H11 OIN A 248 11.701 23.938 2.063 1.00 0.03 H HETATM 2134 H12 OIN A 248 10.766 24.919 0.884 1.00 0.03 H HETATM 2135 H10 OIN A 248 12.124 23.207 -0.039 1.00 0.09 H HETATM 2136 H8 OIN A 248 12.724 24.068 -2.013 1.00 0.03 H HETATM 2137 H9 OIN A 248 11.806 25.471 -1.368 1.00 0.03 H HETATM 2138 H6 OIN A 248 14.755 25.254 -1.731 1.00 0.03 H HETATM 2139 H7 OIN A 248 13.834 26.671 -1.123 1.00 0.03 H HETATM 2140 H5 OIN A 248 15.342 25.173 0.434 1.00 0.09 H HETATM 2141 H4 OIN A 248 14.327 23.377 -0.513 1.00 0.20 H HETATM 2142 H1 OIN A 248 15.437 22.728 1.373 1.00 0.08 H HETATM 2143 H2 OIN A 248 13.832 21.927 1.290 1.00 0.08 H HETATM 2144 H3 OIN A 248 14.078 23.335 2.377 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1752 CONECT 424 423 640 CONECT 630 629 1401 CONECT 640 424 639 CONECT 714 713 1847 CONECT 724 723 1308 CONECT 1121 1120 1283 CONECT 1283 1121 1282 CONECT 1308 724 1307 CONECT 1401 630 1400 CONECT 1752 393 1751 CONECT 1847 714 1846 CONECT 2100 2101 2142 2143 2144 CONECT 2101 2100 2102 2105 2141 CONECT 2102 2101 2103 2108 2140 CONECT 2103 2102 2104 2138 2139 CONECT 2104 2103 2105 2136 2137 CONECT 2105 2101 2104 2106 2135 CONECT 2106 2105 2107 2133 2134 CONECT 2107 2106 2108 2111 2132 CONECT 2108 2102 2107 2109 2110 CONECT 2109 2108 CONECT 2110 2108 CONECT 2111 2107 2112 CONECT 2112 2111 2113 2114 CONECT 2113 2112 CONECT 2114 2112 2115 2120 2131 CONECT 2115 2114 2116 2118 2119 CONECT 2116 2115 2117 CONECT 2117 2116 CONECT 2118 2115 CONECT 2119 2115 CONECT 2120 2114 2121 2125 CONECT 2121 2120 2122 2130 CONECT 2122 2121 2123 2129 CONECT 2123 2122 2124 2128 CONECT 2124 2123 2125 2127 CONECT 2125 2120 2124 2126 CONECT 2126 2125 CONECT 2127 2124 CONECT 2128 2123 CONECT 2129 2122 CONECT 2130 2121 CONECT 2131 2114 CONECT 2132 2107 CONECT 2133 2106 CONECT 2134 2106 CONECT 2135 2105 CONECT 2136 2104 CONECT 2137 2104 CONECT 2138 2103 CONECT 2139 2103 CONECT 2140 2102 CONECT 2141 2101 CONECT 2142 2100 CONECT 2143 2100 CONECT 2144 2100 MASTER 0 0 0 0 0 0 0 0 2143 1 61 10 END
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Structure:
Ligand 2D
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Related entries of code: 2arm
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%
1jq9
RCSB PDB
PDBbind
121aa, >1JQ9_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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2arm
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
phospholipase a2 vrv-pl-viiia
Ligand Name
OIN
EC.Number
E.C.3.1.1.4
Resolution
1.23(Å)
Affinity (Kd/Ki/IC50)
Kd=21nM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
Proteins v64 pp. 89-100, 2006
Ligand Properties
Formula
C
1
7
H
2
4
NO
3
Molecular Weight
290.377
Exact Mass
290.176
No. of atoms
45
No. of bonds
47
Polar Surface Area
50.97
LOGP Value
2.27 (
Computed with XLOGP3
)
2.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C
InChI String
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15-,16-/m1/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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