Browse entries in the PDBbind-CN Database
HEADER 1Q7A_COMPLEX COMPND 1Q7A_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 OPB A 233 44 SSBOND 1 CYS A 28 CYS A 44 SSBOND 2 CYS A 57 CYS A 81 SSBOND 3 CYS A 75 CYS A 86 SSBOND 4 CYS A 50 CYS A 88 SSBOND 5 CYS A 43 CYS A 95 SSBOND 6 CYS A 26 CYS A 115 SSBOND 7 CYS A 49 CYS A 121 ATOM 1 N SER A 1 13.862 15.292 -3.723 1.00 28.82 N ATOM 2 CA SER A 1 13.017 15.347 -4.946 1.00 29.77 C ATOM 3 C SER A 1 11.609 15.820 -4.609 1.00 30.44 C ATOM 4 O SER A 1 11.209 15.836 -3.445 1.00 30.15 O ATOM 5 CB SER A 1 12.951 13.971 -5.608 1.00 29.33 C ATOM 6 OG SER A 1 12.320 13.031 -4.758 1.00 29.46 O ATOM 7 HA SER A 1 13.470 16.057 -5.638 1.00 0.00 H ATOM 8 HB2 SER A 1 13.963 13.631 -5.827 1.00 0.00 H ATOM 9 HB3 SER A 1 12.386 14.048 -6.537 1.00 0.00 H ATOM 10 HG SER A 1 12.832 12.955 -3.914 1.00 0.00 H ATOM 11 HN3 SER A 1 13.440 14.630 -3.041 1.00 0.00 H ATOM 12 HN2 SER A 1 13.918 16.240 -3.299 1.00 0.00 H ATOM 13 HN1 SER A 1 14.817 14.967 -3.977 1.00 0.00 H ATOM 14 N LEU A 2 10.863 16.204 -5.638 1.00 31.56 N ATOM 15 CA LEU A 2 9.504 16.695 -5.457 1.00 33.08 C ATOM 16 C LEU A 2 8.590 15.720 -4.717 1.00 33.54 C ATOM 17 O LEU A 2 7.745 16.137 -3.923 1.00 33.50 O ATOM 18 CB LEU A 2 8.897 17.047 -6.817 1.00 34.00 C ATOM 19 CG LEU A 2 8.701 18.530 -7.139 1.00 34.80 C ATOM 20 CD1 LEU A 2 9.958 19.325 -6.837 1.00 35.48 C ATOM 21 CD2 LEU A 2 8.319 18.662 -8.600 1.00 35.68 C ATOM 22 HA LEU A 2 9.577 17.582 -4.828 1.00 0.00 H ATOM 23 HB2 LEU A 2 9.549 16.629 -7.584 1.00 0.00 H ATOM 24 HB3 LEU A 2 7.919 16.568 -6.873 1.00 0.00 H ATOM 25 HG LEU A 2 7.906 18.935 -6.513 1.00 0.00 H ATOM 26 HD21 LEU A 2 9.114 18.249 -9.221 1.00 0.00 H ATOM 27 HD22 LEU A 2 7.393 18.117 -8.783 1.00 0.00 H ATOM 28 HD23 LEU A 2 8.176 19.715 -8.843 1.00 0.00 H ATOM 29 HD11 LEU A 2 10.203 19.227 -5.780 1.00 0.00 H ATOM 30 HD12 LEU A 2 10.782 18.943 -7.440 1.00 0.00 H ATOM 31 HD13 LEU A 2 9.788 20.375 -7.076 1.00 0.00 H ATOM 32 H LEU A 2 11.259 16.153 -6.598 1.00 0.00 H ATOM 33 N LEU A 3 8.760 14.426 -4.966 1.00 34.10 N ATOM 34 CA LEU A 3 7.922 13.420 -4.320 1.00 34.55 C ATOM 35 C LEU A 3 8.060 13.379 -2.808 1.00 34.25 C ATOM 36 O LEU A 3 7.081 13.169 -2.096 1.00 34.59 O ATOM 37 CB LEU A 3 8.220 12.032 -4.887 1.00 35.56 C ATOM 38 CG LEU A 3 7.406 11.539 -6.088 1.00 36.40 C ATOM 39 CD1 LEU A 3 6.448 10.471 -5.608 1.00 36.89 C ATOM 40 CD2 LEU A 3 6.651 12.684 -6.765 1.00 36.92 C ATOM 41 HA LEU A 3 6.895 13.714 -4.538 1.00 0.00 H ATOM 42 HB2 LEU A 3 9.269 12.025 -5.185 1.00 0.00 H ATOM 43 HB3 LEU A 3 8.068 11.316 -4.080 1.00 0.00 H ATOM 44 HG LEU A 3 8.082 11.125 -6.836 1.00 0.00 H ATOM 45 HD21 LEU A 3 5.967 13.140 -6.049 1.00 0.00 H ATOM 46 HD22 LEU A 3 7.364 13.431 -7.115 1.00 0.00 H ATOM 47 HD23 LEU A 3 6.086 12.294 -7.612 1.00 0.00 H ATOM 48 HD11 LEU A 3 7.013 9.646 -5.175 1.00 0.00 H ATOM 49 HD12 LEU A 3 5.784 10.893 -4.854 1.00 0.00 H ATOM 50 HD13 LEU A 3 5.859 10.108 -6.450 1.00 0.00 H ATOM 51 H LEU A 3 9.501 14.125 -5.631 1.00 0.00 H ATOM 52 N GLU A 4 9.273 13.583 -2.316 1.00 33.61 N ATOM 53 CA GLU A 4 9.506 13.554 -0.882 1.00 32.91 C ATOM 54 C GLU A 4 9.094 14.858 -0.239 1.00 31.23 C ATOM 55 O GLU A 4 8.521 14.873 0.864 1.00 31.61 O ATOM 56 CB GLU A 4 10.967 13.292 -0.571 1.00 33.80 C ATOM 57 CG GLU A 4 11.588 12.313 -1.527 1.00 36.04 C ATOM 58 CD GLU A 4 13.054 12.319 -1.318 1.00 36.72 C ATOM 59 OE1 GLU A 4 13.498 11.845 -0.244 1.00 37.62 O ATOM 60 OE2 GLU A 4 13.784 12.800 -2.207 1.00 37.17 O ATOM 61 HA GLU A 4 8.901 12.744 -0.475 1.00 0.00 H ATOM 62 HB2 GLU A 4 11.512 14.234 -0.630 1.00 0.00 H ATOM 63 HB3 GLU A 4 11.044 12.892 0.440 1.00 0.00 H ATOM 64 HG2 GLU A 4 11.193 11.314 -1.339 1.00 0.00 H ATOM 65 HG3 GLU A 4 11.361 12.605 -2.552 1.00 0.00 H ATOM 66 H GLU A 4 10.067 13.766 -2.963 1.00 0.00 H ATOM 67 N PHE A 5 9.378 15.960 -0.919 1.00 29.21 N ATOM 68 CA PHE A 5 9.004 17.256 -0.393 1.00 27.10 C ATOM 69 C PHE A 5 7.486 17.228 -0.243 1.00 26.92 C ATOM 70 O PHE A 5 6.936 17.722 0.740 1.00 26.37 O ATOM 71 CB PHE A 5 9.445 18.362 -1.355 1.00 26.03 C ATOM 72 CG PHE A 5 9.159 19.752 -0.859 1.00 24.73 C ATOM 73 CD1 PHE A 5 9.329 20.074 0.483 1.00 24.19 C ATOM 74 CD2 PHE A 5 8.740 20.743 -1.734 1.00 24.04 C ATOM 75 CE1 PHE A 5 9.088 21.364 0.943 1.00 23.58 C ATOM 76 CE2 PHE A 5 8.496 22.037 -1.283 1.00 23.93 C ATOM 77 CZ PHE A 5 8.670 22.347 0.058 1.00 23.68 C ATOM 78 HA PHE A 5 9.484 17.461 0.564 1.00 0.00 H ATOM 79 HB2 PHE A 5 10.519 18.269 -1.516 1.00 0.00 H ATOM 80 HB3 PHE A 5 8.924 18.221 -2.302 1.00 0.00 H ATOM 81 HD2 PHE A 5 8.600 20.505 -2.789 1.00 0.00 H ATOM 82 HE2 PHE A 5 8.169 22.806 -1.983 1.00 0.00 H ATOM 83 HZ PHE A 5 8.479 23.359 0.415 1.00 0.00 H ATOM 84 HE1 PHE A 5 9.227 21.602 1.997 1.00 0.00 H ATOM 85 HD1 PHE A 5 9.655 19.305 1.183 1.00 0.00 H ATOM 86 H PHE A 5 9.871 15.893 -1.832 1.00 0.00 H ATOM 87 N GLY A 6 6.816 16.614 -1.215 1.00 26.25 N ATOM 88 CA GLY A 6 5.366 16.516 -1.170 1.00 26.51 C ATOM 89 C GLY A 6 4.869 15.740 0.034 1.00 26.23 C ATOM 90 O GLY A 6 3.885 16.119 0.666 1.00 26.08 O ATOM 91 HA3 GLY A 6 5.022 16.015 -2.075 1.00 0.00 H ATOM 92 HA2 GLY A 6 4.949 17.522 -1.133 1.00 0.00 H ATOM 93 H GLY A 6 7.335 16.200 -2.015 1.00 0.00 H ATOM 94 N LYS A 7 5.548 14.644 0.349 1.00 26.45 N ATOM 95 CA LYS A 7 5.171 13.822 1.486 1.00 26.74 C ATOM 96 C LYS A 7 5.494 14.554 2.783 1.00 26.03 C ATOM 97 O LYS A 7 4.742 14.483 3.752 1.00 26.02 O ATOM 98 CB LYS A 7 5.904 12.482 1.429 1.00 28.17 C ATOM 99 CG LYS A 7 5.627 11.569 2.611 1.00 30.06 C ATOM 100 CD LYS A 7 5.884 10.115 2.251 1.00 31.55 C ATOM 101 CE LYS A 7 4.832 9.607 1.268 1.00 32.42 C ATOM 102 NZ LYS A 7 3.446 9.727 1.815 1.00 32.82 N ATOM 103 HA LYS A 7 4.098 13.631 1.451 1.00 0.00 H ATOM 104 HB2 LYS A 7 5.601 11.965 0.519 1.00 0.00 H ATOM 105 HB3 LYS A 7 6.975 12.680 1.393 1.00 0.00 H ATOM 106 HG2 LYS A 7 6.277 11.851 3.439 1.00 0.00 H ATOM 107 HG3 LYS A 7 4.586 11.683 2.913 1.00 0.00 H ATOM 108 HD2 LYS A 7 6.871 10.028 1.796 1.00 0.00 H ATOM 109 HD3 LYS A 7 5.849 9.510 3.157 1.00 0.00 H ATOM 110 HE2 LYS A 7 5.034 8.559 1.048 1.00 0.00 H ATOM 111 HE3 LYS A 7 4.899 10.189 0.349 1.00 0.00 H ATOM 112 HZ1 LYS A 7 3.370 9.168 2.689 1.00 0.00 H ATOM 113 HZ2 LYS A 7 3.241 10.726 2.022 1.00 0.00 H ATOM 114 HZ3 LYS A 7 2.766 9.370 1.114 1.00 0.00 H ATOM 115 H LYS A 7 6.367 14.368 -0.230 1.00 0.00 H ATOM 116 N MET A 8 6.610 15.271 2.793 1.00 24.50 N ATOM 117 CA MET A 8 7.007 16.027 3.973 1.00 23.40 C ATOM 118 C MET A 8 5.936 17.079 4.278 1.00 22.92 C ATOM 119 O MET A 8 5.566 17.293 5.434 1.00 23.30 O ATOM 120 CB MET A 8 8.346 16.711 3.712 1.00 23.11 C ATOM 121 CG MET A 8 9.020 17.251 4.936 1.00 23.10 C ATOM 122 SD MET A 8 10.574 18.034 4.485 1.00 22.29 S ATOM 123 CE MET A 8 11.670 16.622 4.380 1.00 21.64 C ATOM 124 HA MET A 8 7.110 15.356 4.826 1.00 0.00 H ATOM 125 HB2 MET A 8 9.014 15.985 3.248 1.00 0.00 H ATOM 126 HB3 MET A 8 8.177 17.539 3.024 1.00 0.00 H ATOM 127 HG2 MET A 8 9.215 16.435 5.631 1.00 0.00 H ATOM 128 HG3 MET A 8 8.370 17.985 5.412 1.00 0.00 H ATOM 129 HE1 MET A 8 11.705 16.119 5.346 1.00 0.00 H ATOM 130 HE2 MET A 8 11.299 15.932 3.622 1.00 0.00 H ATOM 131 HE3 MET A 8 12.670 16.959 4.108 1.00 0.00 H ATOM 132 H MET A 8 7.211 15.294 1.945 1.00 0.00 H ATOM 133 N ILE A 9 5.445 17.734 3.232 1.00 21.94 N ATOM 134 CA ILE A 9 4.415 18.754 3.383 1.00 21.90 C ATOM 135 C ILE A 9 3.115 18.152 3.905 1.00 22.47 C ATOM 136 O ILE A 9 2.472 18.721 4.785 1.00 21.96 O ATOM 137 CB ILE A 9 4.140 19.464 2.044 1.00 21.91 C ATOM 138 CG1 ILE A 9 5.358 20.304 1.651 1.00 21.85 C ATOM 139 CG2 ILE A 9 2.902 20.340 2.152 1.00 21.80 C ATOM 140 CD1 ILE A 9 5.221 21.015 0.318 1.00 22.23 C ATOM 141 HA ILE A 9 4.787 19.480 4.106 1.00 0.00 H ATOM 142 HB ILE A 9 3.960 18.715 1.273 1.00 0.00 H ATOM 143 HG12 ILE A 9 5.519 21.055 2.424 1.00 0.00 H ATOM 144 HG13 ILE A 9 6.225 19.646 1.600 1.00 0.00 H ATOM 145 HD11 ILE A 9 5.072 20.278 -0.472 1.00 0.00 H ATOM 146 HD12 ILE A 9 4.365 21.689 0.354 1.00 0.00 H ATOM 147 HD13 ILE A 9 6.127 21.586 0.118 1.00 0.00 H ATOM 148 HG21 ILE A 9 2.042 19.722 2.409 1.00 0.00 H ATOM 149 HG22 ILE A 9 3.056 21.091 2.927 1.00 0.00 H ATOM 150 HG23 ILE A 9 2.723 20.834 1.197 1.00 0.00 H ATOM 151 H ILE A 9 5.805 17.513 2.281 1.00 0.00 H ATOM 152 N LEU A 10 2.736 16.998 3.363 1.00 22.95 N ATOM 153 CA LEU A 10 1.509 16.326 3.789 1.00 23.91 C ATOM 154 C LEU A 10 1.587 15.909 5.256 1.00 24.46 C ATOM 155 O LEU A 10 0.648 16.126 6.025 1.00 24.37 O ATOM 156 CB LEU A 10 1.251 15.096 2.912 1.00 24.49 C ATOM 157 CG LEU A 10 0.040 14.248 3.311 1.00 24.82 C ATOM 158 CD1 LEU A 10 -1.213 15.116 3.369 1.00 25.46 C ATOM 159 CD2 LEU A 10 -0.131 13.114 2.318 1.00 25.87 C ATOM 160 HA LEU A 10 0.684 17.030 3.678 1.00 0.00 H ATOM 161 HB2 LEU A 10 1.100 15.438 1.888 1.00 0.00 H ATOM 162 HB3 LEU A 10 2.136 14.461 2.954 1.00 0.00 H ATOM 163 HG LEU A 10 0.202 13.824 4.302 1.00 0.00 H ATOM 164 HD21 LEU A 10 -0.287 13.526 1.321 1.00 0.00 H ATOM 165 HD22 LEU A 10 0.765 12.493 2.320 1.00 0.00 H ATOM 166 HD23 LEU A 10 -0.993 12.511 2.602 1.00 0.00 H ATOM 167 HD11 LEU A 10 -1.072 15.907 4.105 1.00 0.00 H ATOM 168 HD12 LEU A 10 -1.393 15.558 2.389 1.00 0.00 H ATOM 169 HD13 LEU A 10 -2.067 14.501 3.654 1.00 0.00 H ATOM 170 H LEU A 10 3.324 16.565 2.622 1.00 0.00 H ATOM 171 N GLU A 11 2.708 15.310 5.646 1.00 24.72 N ATOM 172 CA GLU A 11 2.891 14.868 7.023 1.00 25.61 C ATOM 173 C GLU A 11 2.850 16.050 7.978 1.00 25.41 C ATOM 174 O GLU A 11 2.304 15.962 9.076 1.00 25.44 O ATOM 175 CB GLU A 11 4.241 14.174 7.194 1.00 26.53 C ATOM 176 CG GLU A 11 4.506 13.034 6.246 1.00 27.85 C ATOM 177 CD GLU A 11 5.876 12.432 6.473 1.00 28.54 C ATOM 178 OE1 GLU A 11 6.834 13.206 6.685 1.00 28.90 O ATOM 179 OE2 GLU A 11 5.997 11.191 6.436 1.00 29.39 O ATOM 180 HA GLU A 11 2.081 14.174 7.249 1.00 0.00 H ATOM 181 HB2 GLU A 11 5.023 14.920 7.051 1.00 0.00 H ATOM 182 HB3 GLU A 11 4.293 13.785 8.211 1.00 0.00 H ATOM 183 HG2 GLU A 11 3.750 12.263 6.398 1.00 0.00 H ATOM 184 HG3 GLU A 11 4.446 13.403 5.222 1.00 0.00 H ATOM 185 H GLU A 11 3.469 15.154 4.955 1.00 0.00 H ATOM 186 N GLU A 12 3.428 17.161 7.543 1.00 25.34 N ATOM 187 CA GLU A 12 3.507 18.354 8.370 1.00 25.57 C ATOM 188 C GLU A 12 2.226 19.176 8.493 1.00 25.56 C ATOM 189 O GLU A 12 1.850 19.581 9.595 1.00 25.41 O ATOM 190 CB GLU A 12 4.629 19.258 7.847 1.00 25.57 C ATOM 191 CG GLU A 12 5.131 20.261 8.857 1.00 26.54 C ATOM 192 CD GLU A 12 6.009 19.632 9.918 1.00 26.16 C ATOM 193 OE1 GLU A 12 6.325 20.325 10.902 1.00 27.87 O ATOM 194 OE2 GLU A 12 6.394 18.452 9.770 1.00 26.33 O ATOM 195 HA GLU A 12 3.702 17.981 9.375 1.00 0.00 H ATOM 196 HB2 GLU A 12 5.465 18.627 7.545 1.00 0.00 H ATOM 197 HB3 GLU A 12 4.255 19.802 6.980 1.00 0.00 H ATOM 198 HG2 GLU A 12 5.708 21.024 8.334 1.00 0.00 H ATOM 199 HG3 GLU A 12 4.273 20.725 9.344 1.00 0.00 H ATOM 200 H GLU A 12 3.835 17.180 6.586 1.00 0.00 H ATOM 201 N THR A 13 1.552 19.408 7.371 1.00 25.25 N ATOM 202 CA THR A 13 0.355 20.245 7.361 1.00 25.49 C ATOM 203 C THR A 13 -0.998 19.558 7.202 1.00 26.00 C ATOM 204 O THR A 13 -2.034 20.153 7.509 1.00 25.71 O ATOM 205 CB THR A 13 0.457 21.287 6.247 1.00 25.20 C ATOM 206 OG1 THR A 13 0.376 20.624 4.980 1.00 25.12 O ATOM 207 CG2 THR A 13 1.782 22.028 6.329 1.00 25.40 C ATOM 208 HA THR A 13 0.356 20.662 8.368 1.00 0.00 H ATOM 209 HB THR A 13 -0.358 22.003 6.358 1.00 0.00 H ATOM 210 HG1 THR A 13 1.119 19.975 4.900 1.00 0.00 H ATOM 211 HG23 THR A 13 1.854 22.536 7.290 1.00 0.00 H ATOM 212 HG21 THR A 13 2.602 21.316 6.231 1.00 0.00 H ATOM 213 HG22 THR A 13 1.837 22.761 5.524 1.00 0.00 H ATOM 214 H THR A 13 1.884 18.984 6.481 1.00 0.00 H ATOM 215 N GLY A 14 -0.994 18.325 6.709 1.00 26.17 N ATOM 216 CA GLY A 14 -2.243 17.617 6.506 1.00 27.34 C ATOM 217 C GLY A 14 -2.857 18.035 5.183 1.00 28.06 C ATOM 218 O GLY A 14 -3.953 17.600 4.826 1.00 28.55 O ATOM 219 HA3 GLY A 14 -2.931 17.855 7.317 1.00 0.00 H ATOM 220 HA2 GLY A 14 -2.054 16.544 6.495 1.00 0.00 H ATOM 221 H GLY A 14 -0.093 17.866 6.468 1.00 0.00 H ATOM 222 N LYS A 15 -2.142 18.886 4.454 1.00 28.46 N ATOM 223 CA LYS A 15 -2.597 19.377 3.160 1.00 29.04 C ATOM 224 C LYS A 15 -1.829 18.702 2.028 1.00 29.45 C ATOM 225 O LYS A 15 -0.635 18.435 2.155 1.00 29.39 O ATOM 226 CB LYS A 15 -2.369 20.888 3.047 1.00 29.16 C ATOM 227 CG LYS A 15 -3.281 21.768 3.881 1.00 29.67 C ATOM 228 CD LYS A 15 -2.963 23.236 3.610 1.00 30.23 C ATOM 229 CE LYS A 15 -3.980 24.168 4.238 1.00 31.29 C ATOM 230 NZ LYS A 15 -5.333 23.979 3.644 1.00 32.16 N ATOM 231 HA LYS A 15 -3.660 19.149 3.080 1.00 0.00 H ATOM 232 HB2 LYS A 15 -1.342 21.093 3.349 1.00 0.00 H ATOM 233 HB3 LYS A 15 -2.502 21.167 2.002 1.00 0.00 H ATOM 234 HG2 LYS A 15 -4.320 21.567 3.618 1.00 0.00 H ATOM 235 HG3 LYS A 15 -3.127 21.552 4.938 1.00 0.00 H ATOM 236 HD2 LYS A 15 -1.979 23.463 4.019 1.00 0.00 H ATOM 237 HD3 LYS A 15 -2.954 23.400 2.533 1.00 0.00 H ATOM 238 HE2 LYS A 15 -3.663 25.199 4.078 1.00 0.00 H ATOM 239 HE3 LYS A 15 -4.031 23.967 5.308 1.00 0.00 H ATOM 240 HZ1 LYS A 15 -5.293 24.174 2.623 1.00 0.00 H ATOM 241 HZ2 LYS A 15 -5.644 22.999 3.798 1.00 0.00 H ATOM 242 HZ3 LYS A 15 -6.003 24.632 4.097 1.00 0.00 H ATOM 243 H LYS A 15 -1.225 19.213 4.820 1.00 0.00 H ATOM 244 N LEU A 16 -2.514 18.419 0.926 1.00 29.79 N ATOM 245 CA LEU A 16 -1.854 17.823 -0.227 1.00 30.64 C ATOM 246 C LEU A 16 -1.064 18.955 -0.889 1.00 30.83 C ATOM 247 O LEU A 16 -1.636 19.980 -1.265 1.00 30.50 O ATOM 248 CB LEU A 16 -2.898 17.248 -1.189 1.00 30.92 C ATOM 249 CG LEU A 16 -3.617 16.001 -0.665 1.00 31.44 C ATOM 250 CD1 LEU A 16 -4.774 15.636 -1.588 1.00 31.65 C ATOM 251 CD2 LEU A 16 -2.622 14.850 -0.563 1.00 31.69 C ATOM 252 HA LEU A 16 -1.197 17.002 0.058 1.00 0.00 H ATOM 253 HB2 LEU A 16 -3.645 18.018 -1.382 1.00 0.00 H ATOM 254 HB3 LEU A 16 -2.397 16.987 -2.121 1.00 0.00 H ATOM 255 HG LEU A 16 -4.025 16.204 0.325 1.00 0.00 H ATOM 256 HD21 LEU A 16 -2.205 14.644 -1.549 1.00 0.00 H ATOM 257 HD22 LEU A 16 -1.820 15.124 0.122 1.00 0.00 H ATOM 258 HD23 LEU A 16 -3.133 13.962 -0.190 1.00 0.00 H ATOM 259 HD11 LEU A 16 -5.480 16.466 -1.629 1.00 0.00 H ATOM 260 HD12 LEU A 16 -4.390 15.434 -2.588 1.00 0.00 H ATOM 261 HD13 LEU A 16 -5.277 14.748 -1.205 1.00 0.00 H ATOM 262 H LEU A 16 -3.533 18.625 0.886 1.00 0.00 H ATOM 263 N ALA A 17 0.252 18.777 -1.010 1.00 31.28 N ATOM 264 CA ALA A 17 1.125 19.799 -1.608 1.00 32.05 C ATOM 265 C ALA A 17 0.583 20.260 -2.953 1.00 32.45 C ATOM 266 O ALA A 17 0.703 21.429 -3.326 1.00 32.17 O ATOM 267 CB ALA A 17 2.541 19.253 -1.771 1.00 31.92 C ATOM 268 HA ALA A 17 1.150 20.658 -0.938 1.00 0.00 H ATOM 269 HB1 ALA A 17 2.936 18.973 -0.794 1.00 0.00 H ATOM 270 HB2 ALA A 17 2.519 18.378 -2.420 1.00 0.00 H ATOM 271 HB3 ALA A 17 3.176 20.020 -2.215 1.00 0.00 H ATOM 272 H ALA A 17 0.674 17.889 -0.671 1.00 0.00 H ATOM 273 N ILE A 18 0.008 19.256 -3.688 1.00 33.27 N ATOM 274 CA ILE A 18 -0.509 19.482 -5.064 1.00 34.34 C ATOM 275 C ILE A 18 -1.989 19.352 -5.183 1.00 34.56 C ATOM 276 O ILE A 18 -2.559 18.289 -5.410 1.00 35.09 O ATOM 277 CB ILE A 18 0.079 18.523 -6.083 1.00 34.81 C ATOM 278 CG1 ILE A 18 1.544 18.861 -6.356 1.00 35.27 C ATOM 279 CG2 ILE A 18 -0.712 18.539 -7.371 1.00 35.04 C ATOM 280 CD1 ILE A 18 1.758 19.725 -7.580 1.00 35.86 C ATOM 281 HA ILE A 18 -0.205 20.508 -5.269 1.00 0.00 H ATOM 282 HB ILE A 18 0.023 17.518 -5.665 1.00 0.00 H ATOM 283 HG12 ILE A 18 1.942 19.389 -5.489 1.00 0.00 H ATOM 284 HG13 ILE A 18 2.091 17.929 -6.494 1.00 0.00 H ATOM 285 HD11 ILE A 18 1.377 19.207 -8.460 1.00 0.00 H ATOM 286 HD12 ILE A 18 1.227 20.669 -7.454 1.00 0.00 H ATOM 287 HD13 ILE A 18 2.823 19.920 -7.704 1.00 0.00 H ATOM 288 HG21 ILE A 18 -1.741 18.242 -7.168 1.00 0.00 H ATOM 289 HG22 ILE A 18 -0.699 19.544 -7.792 1.00 0.00 H ATOM 290 HG23 ILE A 18 -0.265 17.842 -8.079 1.00 0.00 H ATOM 291 H ILE A 18 -0.069 18.307 -3.270 1.00 0.00 H ATOM 292 N PRO A 19 -2.536 20.492 -5.002 1.00 34.58 N ATOM 293 CA PRO A 19 -3.458 21.661 -4.851 1.00 34.26 C ATOM 294 C PRO A 19 -2.748 22.729 -4.006 1.00 33.71 C ATOM 295 O PRO A 19 -2.049 23.609 -4.505 1.00 34.50 O ATOM 296 CB PRO A 19 -4.938 21.378 -4.600 1.00 34.80 C ATOM 297 CG PRO A 19 -5.089 20.262 -5.459 1.00 34.99 C ATOM 298 CD PRO A 19 -3.779 19.653 -5.255 1.00 34.91 C ATOM 299 HA PRO A 19 -3.634 22.096 -5.835 1.00 0.00 H ATOM 300 HD3 PRO A 19 -3.880 18.989 -4.397 1.00 0.00 H ATOM 301 HD2 PRO A 19 -3.573 19.062 -6.148 1.00 0.00 H ATOM 302 HG3 PRO A 19 -5.247 20.560 -6.496 1.00 0.00 H ATOM 303 HG2 PRO A 19 -5.901 19.607 -5.143 1.00 0.00 H ATOM 304 HB2 PRO A 19 -5.137 21.125 -3.559 1.00 0.00 H ATOM 305 HB3 PRO A 19 -5.572 22.213 -4.897 1.00 0.00 H ATOM 306 N SER A 20 -2.964 22.628 -2.706 1.00 32.80 N ATOM 307 CA SER A 20 -2.537 23.612 -1.720 1.00 31.40 C ATOM 308 C SER A 20 -1.320 24.512 -1.937 1.00 30.57 C ATOM 309 O SER A 20 -1.427 25.726 -1.773 1.00 30.21 O ATOM 310 CB SER A 20 -2.397 22.921 -0.367 1.00 31.62 C ATOM 311 OG SER A 20 -3.634 22.362 0.043 1.00 31.30 O ATOM 312 HA SER A 20 -3.341 24.342 -1.812 1.00 0.00 H ATOM 313 HB2 SER A 20 -2.070 23.650 0.375 1.00 0.00 H ATOM 314 HB3 SER A 20 -1.654 22.127 -0.446 1.00 0.00 H ATOM 315 HG SER A 20 -4.310 23.081 0.119 1.00 0.00 H ATOM 316 H SER A 20 -3.474 21.789 -2.363 1.00 0.00 H ATOM 317 N TYR A 21 -0.175 23.943 -2.298 1.00 29.37 N ATOM 318 CA TYR A 21 1.027 24.767 -2.441 1.00 28.78 C ATOM 319 C TYR A 21 1.691 24.823 -3.810 1.00 28.55 C ATOM 320 O TYR A 21 2.830 25.277 -3.928 1.00 28.86 O ATOM 321 CB TYR A 21 2.067 24.318 -1.418 1.00 28.11 C ATOM 322 CG TYR A 21 1.602 24.435 0.011 1.00 27.65 C ATOM 323 CD1 TYR A 21 1.662 25.652 0.684 1.00 27.12 C ATOM 324 CD2 TYR A 21 1.094 23.327 0.694 1.00 26.91 C ATOM 325 CE1 TYR A 21 1.236 25.768 1.997 1.00 26.59 C ATOM 326 CE2 TYR A 21 0.660 23.435 2.012 1.00 26.90 C ATOM 327 CZ TYR A 21 0.739 24.661 2.657 1.00 26.49 C ATOM 328 OH TYR A 21 0.335 24.794 3.964 1.00 26.11 O ATOM 329 HA TYR A 21 0.660 25.781 -2.279 1.00 0.00 H ATOM 330 HB3 TYR A 21 2.959 24.932 -1.541 1.00 0.00 H ATOM 331 HB2 TYR A 21 2.316 23.275 -1.615 1.00 0.00 H ATOM 332 HD2 TYR A 21 1.037 22.364 0.187 1.00 0.00 H ATOM 333 HE2 TYR A 21 0.262 22.564 2.533 1.00 0.00 H ATOM 334 HE1 TYR A 21 1.293 26.729 2.508 1.00 0.00 H ATOM 335 HD1 TYR A 21 2.051 26.530 0.168 1.00 0.00 H ATOM 336 HH TYR A 21 0.463 25.732 4.254 1.00 0.00 H ATOM 337 H TYR A 21 -0.133 22.920 -2.478 1.00 0.00 H ATOM 338 N SER A 22 0.986 24.389 -4.844 1.00 28.17 N ATOM 339 CA SER A 22 1.561 24.388 -6.178 1.00 28.23 C ATOM 340 C SER A 22 1.150 25.574 -7.050 1.00 27.87 C ATOM 341 O SER A 22 1.721 25.785 -8.116 1.00 27.93 O ATOM 342 CB SER A 22 1.217 23.071 -6.874 1.00 28.28 C ATOM 343 OG SER A 22 -0.177 22.829 -6.834 1.00 29.97 O ATOM 344 HA SER A 22 2.638 24.491 -6.048 1.00 0.00 H ATOM 345 HB2 SER A 22 1.736 22.255 -6.371 1.00 0.00 H ATOM 346 HB3 SER A 22 1.541 23.121 -7.913 1.00 0.00 H ATOM 347 HG SER A 22 -0.475 22.779 -5.891 1.00 0.00 H ATOM 348 H SER A 22 0.015 24.047 -4.700 1.00 0.00 H ATOM 349 N SER A 23 0.162 26.346 -6.605 1.00 27.29 N ATOM 350 CA SER A 23 -0.295 27.512 -7.360 1.00 26.87 C ATOM 351 C SER A 23 -0.802 28.555 -6.376 1.00 26.24 C ATOM 352 O SER A 23 -1.827 29.192 -6.601 1.00 26.51 O ATOM 353 CB SER A 23 -1.429 27.130 -8.311 1.00 27.40 C ATOM 354 OG SER A 23 -2.605 26.817 -7.584 1.00 28.76 O ATOM 355 HA SER A 23 0.534 27.905 -7.948 1.00 0.00 H ATOM 356 HB2 SER A 23 -1.128 26.262 -8.897 1.00 0.00 H ATOM 357 HB3 SER A 23 -1.633 27.966 -8.980 1.00 0.00 H ATOM 358 HG SER A 23 -2.883 27.605 -7.053 1.00 0.00 H ATOM 359 H SER A 23 -0.295 26.115 -5.700 1.00 0.00 H ATOM 360 N TYR A 24 -0.057 28.735 -5.293 1.00 24.97 N ATOM 361 CA TYR A 24 -0.432 29.674 -4.250 1.00 23.72 C ATOM 362 C TYR A 24 0.394 30.961 -4.293 1.00 23.88 C ATOM 363 O TYR A 24 1.618 30.922 -4.350 1.00 23.86 O ATOM 364 CB TYR A 24 -0.279 28.972 -2.898 1.00 23.58 C ATOM 365 CG TYR A 24 -0.785 29.751 -1.711 1.00 22.80 C ATOM 366 CD1 TYR A 24 -0.032 30.789 -1.160 1.00 22.66 C ATOM 367 CD2 TYR A 24 -2.015 29.440 -1.127 1.00 22.94 C ATOM 368 CE1 TYR A 24 -0.489 31.499 -0.052 1.00 22.73 C ATOM 369 CE2 TYR A 24 -2.484 30.145 -0.019 1.00 23.09 C ATOM 370 CZ TYR A 24 -1.713 31.169 0.512 1.00 22.76 C ATOM 371 OH TYR A 24 -2.156 31.851 1.618 1.00 23.13 O ATOM 372 HA TYR A 24 -1.467 29.978 -4.408 1.00 0.00 H ATOM 373 HB3 TYR A 24 0.780 28.768 -2.741 1.00 0.00 H ATOM 374 HB2 TYR A 24 -0.826 28.031 -2.942 1.00 0.00 H ATOM 375 HD2 TYR A 24 -2.618 28.633 -1.544 1.00 0.00 H ATOM 376 HE2 TYR A 24 -3.447 29.894 0.426 1.00 0.00 H ATOM 377 HE1 TYR A 24 0.110 32.307 0.368 1.00 0.00 H ATOM 378 HD1 TYR A 24 0.929 31.048 -1.604 1.00 0.00 H ATOM 379 HH TYR A 24 -1.493 32.543 1.865 1.00 0.00 H ATOM 380 H TYR A 24 0.821 28.188 -5.188 1.00 0.00 H ATOM 381 N GLY A 25 -0.286 32.101 -4.277 1.00 23.18 N ATOM 382 CA GLY A 25 0.407 33.376 -4.298 1.00 23.20 C ATOM 383 C GLY A 25 1.328 33.589 -5.484 1.00 23.15 C ATOM 384 O GLY A 25 1.034 33.159 -6.598 1.00 23.51 O ATOM 385 HA3 GLY A 25 1.004 33.451 -3.389 1.00 0.00 H ATOM 386 HA2 GLY A 25 -0.342 34.168 -4.306 1.00 0.00 H ATOM 387 H GLY A 25 -1.325 32.080 -4.249 1.00 0.00 H ATOM 388 N CYS A 26 2.453 34.254 -5.242 1.00 23.22 N ATOM 389 CA CYS A 26 3.413 34.541 -6.299 1.00 23.45 C ATOM 390 C CYS A 26 4.595 33.595 -6.368 1.00 23.20 C ATOM 391 O CYS A 26 5.220 33.467 -7.423 1.00 23.09 O ATOM 392 CB CYS A 26 3.939 35.968 -6.155 1.00 24.40 C ATOM 393 SG CYS A 26 2.630 37.216 -6.343 1.00 26.28 S ATOM 394 HA CYS A 26 2.856 34.406 -7.226 1.00 0.00 H ATOM 395 HB2 CYS A 26 4.698 36.140 -6.918 1.00 0.00 H ATOM 396 HB3 CYS A 26 4.387 36.077 -5.168 1.00 0.00 H ATOM 397 H CYS A 26 2.653 34.577 -4.274 1.00 0.00 H ATOM 398 N TYR A 27 4.903 32.930 -5.257 1.00 23.23 N ATOM 399 CA TYR A 27 6.048 32.031 -5.227 1.00 23.31 C ATOM 400 C TYR A 27 5.801 30.553 -4.974 1.00 24.12 C ATOM 401 O TYR A 27 6.729 29.747 -5.090 1.00 23.59 O ATOM 402 CB TYR A 27 7.085 32.552 -4.228 1.00 22.55 C ATOM 403 CG TYR A 27 7.711 33.837 -4.691 1.00 22.39 C ATOM 404 CD1 TYR A 27 7.127 35.067 -4.395 1.00 22.48 C ATOM 405 CD2 TYR A 27 8.846 33.821 -5.497 1.00 22.60 C ATOM 406 CE1 TYR A 27 7.661 36.253 -4.895 1.00 23.06 C ATOM 407 CE2 TYR A 27 9.382 34.997 -6.005 1.00 22.65 C ATOM 408 CZ TYR A 27 8.788 36.207 -5.700 1.00 22.95 C ATOM 409 OH TYR A 27 9.337 37.368 -6.195 1.00 24.08 O ATOM 410 HA TYR A 27 6.399 32.050 -6.259 1.00 0.00 H ATOM 411 HB3 TYR A 27 7.867 31.802 -4.107 1.00 0.00 H ATOM 412 HB2 TYR A 27 6.596 32.723 -3.269 1.00 0.00 H ATOM 413 HD2 TYR A 27 9.322 32.869 -5.733 1.00 0.00 H ATOM 414 HE2 TYR A 27 10.267 34.966 -6.641 1.00 0.00 H ATOM 415 HE1 TYR A 27 7.196 37.209 -4.655 1.00 0.00 H ATOM 416 HD1 TYR A 27 6.240 35.102 -3.763 1.00 0.00 H ATOM 417 HH TYR A 27 8.800 38.142 -5.890 1.00 0.00 H ATOM 418 H TYR A 27 4.321 33.053 -4.404 1.00 0.00 H ATOM 419 N CYS A 28 4.577 30.178 -4.620 1.00 24.76 N ATOM 420 CA CYS A 28 4.314 28.767 -4.393 1.00 26.65 C ATOM 421 C CYS A 28 3.903 28.091 -5.693 1.00 29.19 C ATOM 422 O CYS A 28 2.836 28.353 -6.250 1.00 29.32 O ATOM 423 CB CYS A 28 3.244 28.568 -3.326 1.00 24.17 C ATOM 424 SG CYS A 28 3.692 29.190 -1.670 1.00 21.60 S ATOM 425 HA CYS A 28 5.234 28.306 -4.032 1.00 0.00 H ATOM 426 HB2 CYS A 28 3.040 27.500 -3.244 1.00 0.00 H ATOM 427 HB3 CYS A 28 2.341 29.085 -3.650 1.00 0.00 H ATOM 428 H CYS A 28 3.820 30.882 -4.507 1.00 0.00 H ATOM 429 N GLY A 29 4.743 27.203 -6.152 1.00 32.10 N ATOM 430 CA GLY A 29 4.560 26.493 -7.396 1.00 35.47 C ATOM 431 C GLY A 29 5.659 27.029 -8.279 1.00 37.88 C ATOM 432 O GLY A 29 6.842 26.880 -7.967 1.00 38.29 O ATOM 433 HA3 GLY A 29 3.580 26.704 -7.824 1.00 0.00 H ATOM 434 HA2 GLY A 29 4.668 25.418 -7.250 1.00 0.00 H ATOM 435 H GLY A 29 5.593 26.995 -5.589 1.00 0.00 H ATOM 436 N TRP A 30 5.285 27.647 -9.388 1.00 39.97 N ATOM 437 CA TRP A 30 6.279 28.247 -10.261 1.00 42.21 C ATOM 438 C TRP A 30 6.113 29.736 -9.994 1.00 42.59 C ATOM 439 O TRP A 30 4.990 30.238 -9.895 1.00 43.06 O ATOM 440 CB TRP A 30 5.985 27.932 -11.729 1.00 43.97 C ATOM 441 CG TRP A 30 7.088 27.200 -12.486 1.00 45.96 C ATOM 442 CD1 TRP A 30 6.914 26.392 -13.575 1.00 46.57 C ATOM 443 CD2 TRP A 30 8.510 27.227 -12.235 1.00 46.89 C ATOM 444 NE1 TRP A 30 8.123 25.911 -14.012 1.00 47.28 N ATOM 445 CE2 TRP A 30 9.121 26.402 -13.210 1.00 47.26 C ATOM 446 CE3 TRP A 30 9.325 27.859 -11.280 1.00 47.44 C ATOM 447 CZ2 TRP A 30 10.507 26.199 -13.269 1.00 47.55 C ATOM 448 CZ3 TRP A 30 10.712 27.655 -11.340 1.00 47.65 C ATOM 449 CH2 TRP A 30 11.282 26.828 -12.326 1.00 47.75 C ATOM 450 HA TRP A 30 7.288 27.879 -10.074 1.00 0.00 H ATOM 451 HB2 TRP A 30 5.088 27.314 -11.765 1.00 0.00 H ATOM 452 HB3 TRP A 30 5.796 28.875 -12.242 1.00 0.00 H ATOM 453 HE1 TRP A 30 8.260 25.275 -14.823 1.00 0.00 H ATOM 454 HD1 TRP A 30 5.951 26.162 -14.032 1.00 0.00 H ATOM 455 HZ2 TRP A 30 10.953 25.565 -14.035 1.00 0.00 H ATOM 456 HH2 TRP A 30 12.362 26.684 -12.341 1.00 0.00 H ATOM 457 HZ3 TRP A 30 11.358 28.145 -10.612 1.00 0.00 H ATOM 458 HE3 TRP A 30 8.889 28.494 -10.509 1.00 0.00 H ATOM 459 H TRP A 30 4.276 27.703 -9.635 1.00 0.00 H ATOM 460 N GLY A 31 7.226 30.439 -9.853 1.00 42.85 N ATOM 461 CA GLY A 31 7.158 31.863 -9.595 1.00 43.04 C ATOM 462 C GLY A 31 8.537 32.471 -9.664 1.00 42.95 C ATOM 463 O GLY A 31 9.532 31.791 -9.422 1.00 43.42 O ATOM 464 HA3 GLY A 31 6.740 32.030 -8.602 1.00 0.00 H ATOM 465 HA2 GLY A 31 6.518 32.334 -10.341 1.00 0.00 H ATOM 466 H GLY A 31 8.150 29.968 -9.928 1.00 0.00 H ATOM 467 N GLY A 32 8.603 33.753 -9.997 1.00 42.86 N ATOM 468 CA GLY A 32 9.886 34.414 -10.084 1.00 42.38 C ATOM 469 C GLY A 32 9.735 35.918 -10.092 1.00 42.26 C ATOM 470 O GLY A 32 10.650 36.637 -10.498 1.00 42.55 O ATOM 471 HA3 GLY A 32 10.384 34.103 -11.003 1.00 0.00 H ATOM 472 HA2 GLY A 32 10.493 34.123 -9.227 1.00 0.00 H ATOM 473 H GLY A 32 7.731 34.284 -10.196 1.00 0.00 H ATOM 474 N LYS A 33 8.578 36.401 -9.645 1.00 41.72 N ATOM 475 CA LYS A 33 8.322 37.836 -9.612 1.00 40.95 C ATOM 476 C LYS A 33 7.349 38.265 -8.525 1.00 39.91 C ATOM 477 O LYS A 33 6.646 37.448 -7.929 1.00 39.50 O ATOM 478 CB LYS A 33 7.761 38.312 -10.954 1.00 41.75 C ATOM 479 CG LYS A 33 8.668 38.102 -12.143 1.00 42.88 C ATOM 480 CD LYS A 33 8.010 38.631 -13.406 1.00 43.77 C ATOM 481 CE LYS A 33 8.897 38.431 -14.623 1.00 44.45 C ATOM 482 NZ LYS A 33 8.275 38.999 -15.855 1.00 44.88 N ATOM 483 HA LYS A 33 9.289 38.291 -9.397 1.00 0.00 H ATOM 484 HB2 LYS A 33 6.831 37.775 -11.140 1.00 0.00 H ATOM 485 HB3 LYS A 33 7.553 39.379 -10.873 1.00 0.00 H ATOM 486 HG2 LYS A 33 9.607 38.630 -11.978 1.00 0.00 H ATOM 487 HG3 LYS A 33 8.868 37.037 -12.260 1.00 0.00 H ATOM 488 HD2 LYS A 33 7.069 38.104 -13.563 1.00 0.00 H ATOM 489 HD3 LYS A 33 7.812 39.696 -13.283 1.00 0.00 H ATOM 490 HE2 LYS A 33 9.062 37.364 -14.769 1.00 0.00 H ATOM 491 HE3 LYS A 33 9.853 38.925 -14.449 1.00 0.00 H ATOM 492 HZ1 LYS A 33 7.364 38.528 -16.031 1.00 0.00 H ATOM 493 HZ2 LYS A 33 8.120 40.019 -15.725 1.00 0.00 H ATOM 494 HZ3 LYS A 33 8.909 38.844 -16.665 1.00 0.00 H ATOM 495 H LYS A 33 7.844 35.743 -9.313 1.00 0.00 H ATOM 496 N GLY A 34 7.317 39.572 -8.289 1.00 38.87 N ATOM 497 CA GLY A 34 6.411 40.138 -7.314 1.00 37.60 C ATOM 498 C GLY A 34 6.835 40.062 -5.866 1.00 36.73 C ATOM 499 O GLY A 34 7.918 39.579 -5.531 1.00 36.59 O ATOM 500 HA3 GLY A 34 5.458 39.617 -7.407 1.00 0.00 H ATOM 501 HA2 GLY A 34 6.274 41.190 -7.563 1.00 0.00 H ATOM 502 H GLY A 34 7.956 40.201 -8.816 1.00 0.00 H ATOM 503 N THR A 35 5.951 40.558 -5.008 1.00 35.90 N ATOM 504 CA THR A 35 6.159 40.573 -3.569 1.00 34.93 C ATOM 505 C THR A 35 5.284 39.477 -2.967 1.00 33.80 C ATOM 506 O THR A 35 4.087 39.417 -3.242 1.00 33.72 O ATOM 507 CB THR A 35 5.726 41.928 -2.973 1.00 35.39 C ATOM 508 OG1 THR A 35 6.421 42.990 -3.641 1.00 35.97 O ATOM 509 CG2 THR A 35 6.029 41.981 -1.483 1.00 35.77 C ATOM 510 HA THR A 35 7.214 40.414 -3.348 1.00 0.00 H ATOM 511 HB THR A 35 4.651 42.043 -3.115 1.00 0.00 H ATOM 512 HG1 THR A 35 6.142 43.859 -3.257 1.00 0.00 H ATOM 513 HG23 THR A 35 5.500 41.173 -0.977 1.00 0.00 H ATOM 514 HG21 THR A 35 7.102 41.868 -1.327 1.00 0.00 H ATOM 515 HG22 THR A 35 5.701 42.940 -1.081 1.00 0.00 H ATOM 516 H THR A 35 5.066 40.955 -5.384 1.00 0.00 H ATOM 517 N PRO A 36 5.872 38.587 -2.149 1.00 32.52 N ATOM 518 CA PRO A 36 5.080 37.514 -1.539 1.00 31.42 C ATOM 519 C PRO A 36 3.807 38.079 -0.917 1.00 30.39 C ATOM 520 O PRO A 36 3.852 39.071 -0.187 1.00 30.03 O ATOM 521 CB PRO A 36 6.035 36.934 -0.503 1.00 31.56 C ATOM 522 CG PRO A 36 7.365 37.076 -1.181 1.00 32.20 C ATOM 523 CD PRO A 36 7.291 38.476 -1.770 1.00 32.51 C ATOM 524 HA PRO A 36 4.732 36.758 -2.243 1.00 0.00 H ATOM 525 HD3 PRO A 36 7.562 39.230 -1.031 1.00 0.00 H ATOM 526 HD2 PRO A 36 7.940 38.573 -2.640 1.00 0.00 H ATOM 527 HG3 PRO A 36 7.490 36.326 -1.962 1.00 0.00 H ATOM 528 HG2 PRO A 36 8.183 36.993 -0.465 1.00 0.00 H ATOM 529 HB2 PRO A 36 6.002 37.502 0.427 1.00 0.00 H ATOM 530 HB3 PRO A 36 5.806 35.888 -0.296 1.00 0.00 H ATOM 531 N LYS A 37 2.679 37.438 -1.215 1.00 29.19 N ATOM 532 CA LYS A 37 1.370 37.868 -0.731 1.00 28.35 C ATOM 533 C LYS A 37 1.145 37.752 0.776 1.00 27.09 C ATOM 534 O LYS A 37 0.478 38.600 1.372 1.00 27.18 O ATOM 535 CB LYS A 37 0.277 37.086 -1.461 1.00 29.12 C ATOM 536 CG LYS A 37 0.299 37.248 -2.976 1.00 30.35 C ATOM 537 CD LYS A 37 -0.595 38.391 -3.443 1.00 31.87 C ATOM 538 CE LYS A 37 -0.025 39.761 -3.125 1.00 32.28 C ATOM 539 NZ LYS A 37 -0.921 40.850 -3.615 1.00 32.97 N ATOM 540 HA LYS A 37 1.328 38.936 -0.946 1.00 0.00 H ATOM 541 HB2 LYS A 37 0.400 36.028 -1.228 1.00 0.00 H ATOM 542 HB3 LYS A 37 -0.691 37.428 -1.094 1.00 0.00 H ATOM 543 HG2 LYS A 37 1.322 37.449 -3.294 1.00 0.00 H ATOM 544 HG3 LYS A 37 -0.047 36.321 -3.434 1.00 0.00 H ATOM 545 HD2 LYS A 37 -0.725 38.311 -4.522 1.00 0.00 H ATOM 546 HD3 LYS A 37 -1.564 38.296 -2.953 1.00 0.00 H ATOM 547 HE2 LYS A 37 0.949 39.860 -3.604 1.00 0.00 H ATOM 548 HE3 LYS A 37 0.091 39.855 -2.045 1.00 0.00 H ATOM 549 HZ1 LYS A 37 -1.032 40.769 -4.646 1.00 0.00 H ATOM 550 HZ2 LYS A 37 -1.851 40.764 -3.158 1.00 0.00 H ATOM 551 HZ3 LYS A 37 -0.502 41.773 -3.382 1.00 0.00 H ATOM 552 H LYS A 37 2.732 36.593 -1.819 1.00 0.00 H ATOM 553 N ASP A 38 1.679 36.700 1.388 1.00 25.17 N ATOM 554 CA ASP A 38 1.523 36.499 2.824 1.00 24.02 C ATOM 555 C ASP A 38 2.650 35.629 3.374 1.00 23.05 C ATOM 556 O ASP A 38 3.605 35.317 2.659 1.00 22.75 O ATOM 557 CB ASP A 38 0.162 35.859 3.132 1.00 23.38 C ATOM 558 CG ASP A 38 0.016 34.469 2.544 1.00 23.26 C ATOM 559 OD1 ASP A 38 0.983 33.978 1.923 1.00 22.26 O ATOM 560 OD2 ASP A 38 -1.070 33.868 2.707 1.00 23.06 O ATOM 561 HA ASP A 38 1.570 37.473 3.310 1.00 0.00 H ATOM 562 HB2 ASP A 38 0.045 35.793 4.214 1.00 0.00 H ATOM 563 HB3 ASP A 38 -0.622 36.495 2.721 1.00 0.00 H ATOM 564 H ASP A 38 2.219 36.006 0.832 1.00 0.00 H ATOM 565 N ALA A 39 2.536 35.240 4.641 1.00 22.54 N ATOM 566 CA ALA A 39 3.552 34.419 5.293 1.00 21.83 C ATOM 567 C ALA A 39 3.843 33.110 4.555 1.00 21.55 C ATOM 568 O ALA A 39 5.004 32.747 4.372 1.00 21.08 O ATOM 569 CB ALA A 39 3.137 34.128 6.728 1.00 22.16 C ATOM 570 HA ALA A 39 4.478 34.994 5.276 1.00 0.00 H ATOM 571 HB1 ALA A 39 3.029 35.067 7.271 1.00 0.00 H ATOM 572 HB2 ALA A 39 2.187 33.594 6.729 1.00 0.00 H ATOM 573 HB3 ALA A 39 3.900 33.515 7.208 1.00 0.00 H ATOM 574 H ALA A 39 1.697 35.530 5.184 1.00 0.00 H ATOM 575 N THR A 40 2.794 32.392 4.157 1.00 20.83 N ATOM 576 CA THR A 40 2.962 31.130 3.431 1.00 19.94 C ATOM 577 C THR A 40 3.706 31.361 2.119 1.00 19.78 C ATOM 578 O THR A 40 4.599 30.595 1.754 1.00 18.96 O ATOM 579 CB THR A 40 1.596 30.479 3.129 1.00 20.08 C ATOM 580 OG1 THR A 40 0.997 30.065 4.361 1.00 20.13 O ATOM 581 CG2 THR A 40 1.758 29.261 2.211 1.00 19.74 C ATOM 582 HA THR A 40 3.543 30.461 4.066 1.00 0.00 H ATOM 583 HB THR A 40 0.964 31.209 2.623 1.00 0.00 H ATOM 584 HG1 THR A 40 0.870 30.853 4.946 1.00 0.00 H ATOM 585 HG23 THR A 40 2.214 29.574 1.272 1.00 0.00 H ATOM 586 HG21 THR A 40 2.395 28.523 2.698 1.00 0.00 H ATOM 587 HG22 THR A 40 0.779 28.824 2.013 1.00 0.00 H ATOM 588 H THR A 40 1.835 32.735 4.366 1.00 0.00 H ATOM 589 N ASP A 41 3.331 32.419 1.411 1.00 19.05 N ATOM 590 CA ASP A 41 3.978 32.752 0.149 1.00 19.35 C ATOM 591 C ASP A 41 5.442 33.098 0.428 1.00 19.43 C ATOM 592 O ASP A 41 6.323 32.812 -0.383 1.00 19.13 O ATOM 593 CB ASP A 41 3.257 33.935 -0.505 1.00 19.31 C ATOM 594 CG ASP A 41 3.516 34.035 -1.998 1.00 20.26 C ATOM 595 OD1 ASP A 41 4.012 33.051 -2.608 1.00 19.73 O ATOM 596 OD2 ASP A 41 3.200 35.101 -2.566 1.00 20.64 O ATOM 597 HA ASP A 41 3.932 31.905 -0.535 1.00 0.00 H ATOM 598 HB2 ASP A 41 2.185 33.820 -0.345 1.00 0.00 H ATOM 599 HB3 ASP A 41 3.598 34.855 -0.031 1.00 0.00 H ATOM 600 H ASP A 41 2.561 33.022 1.764 1.00 0.00 H ATOM 601 N ARG A 42 5.702 33.708 1.582 1.00 19.42 N ATOM 602 CA ARG A 42 7.076 34.049 1.938 1.00 19.36 C ATOM 603 C ARG A 42 7.864 32.764 2.192 1.00 18.46 C ATOM 604 O ARG A 42 9.058 32.700 1.921 1.00 18.33 O ATOM 605 CB ARG A 42 7.115 34.968 3.164 1.00 20.95 C ATOM 606 CG ARG A 42 6.645 36.389 2.865 1.00 24.16 C ATOM 607 CD ARG A 42 7.058 37.373 3.962 1.00 26.17 C ATOM 608 NE ARG A 42 6.209 37.286 5.146 1.00 28.68 N ATOM 609 CZ ARG A 42 4.988 37.807 5.236 1.00 29.50 C ATOM 610 NH1 ARG A 42 4.457 38.462 4.209 1.00 30.38 N ATOM 611 NH2 ARG A 42 4.295 37.674 6.357 1.00 30.25 N ATOM 612 HA ARG A 42 7.534 34.592 1.111 1.00 0.00 H ATOM 613 HB2 ARG A 42 6.471 34.545 3.935 1.00 0.00 H ATOM 614 HB3 ARG A 42 8.140 35.012 3.532 1.00 0.00 H ATOM 615 HG2 ARG A 42 7.081 36.712 1.920 1.00 0.00 H ATOM 616 HG3 ARG A 42 5.558 36.390 2.782 1.00 0.00 H ATOM 617 HD2 ARG A 42 6.998 38.386 3.563 1.00 0.00 H ATOM 618 HD3 ARG A 42 8.086 37.159 4.253 1.00 0.00 H ATOM 619 HE ARG A 42 6.584 36.783 5.975 1.00 0.00 H ATOM 620 HH12 ARG A 42 3.502 38.866 4.288 1.00 0.00 H ATOM 621 HH11 ARG A 42 4.996 38.570 3.326 1.00 0.00 H ATOM 622 HH22 ARG A 42 3.340 38.080 6.430 1.00 0.00 H ATOM 623 HH21 ARG A 42 4.705 37.163 7.165 1.00 0.00 H ATOM 624 H ARG A 42 4.924 33.942 2.232 1.00 0.00 H ATOM 625 N CYS A 43 7.199 31.732 2.700 1.00 17.82 N ATOM 626 CA CYS A 43 7.885 30.467 2.915 1.00 17.81 C ATOM 627 C CYS A 43 8.362 29.945 1.567 1.00 17.36 C ATOM 628 O CYS A 43 9.464 29.417 1.456 1.00 17.33 O ATOM 629 CB CYS A 43 6.962 29.407 3.497 1.00 18.00 C ATOM 630 SG CYS A 43 6.289 29.689 5.160 1.00 18.63 S ATOM 631 HA CYS A 43 8.703 30.649 3.611 1.00 0.00 H ATOM 632 HB2 CYS A 43 7.520 28.471 3.526 1.00 0.00 H ATOM 633 HB3 CYS A 43 6.116 29.304 2.817 1.00 0.00 H ATOM 634 H CYS A 43 6.192 31.828 2.943 1.00 0.00 H ATOM 635 N CYS A 44 7.521 30.069 0.538 1.00 17.55 N ATOM 636 CA CYS A 44 7.908 29.579 -0.776 1.00 17.38 C ATOM 637 C CYS A 44 9.017 30.426 -1.365 1.00 17.72 C ATOM 638 O CYS A 44 9.907 29.905 -2.031 1.00 17.35 O ATOM 639 CB CYS A 44 6.709 29.547 -1.731 1.00 18.01 C ATOM 640 SG CYS A 44 5.472 28.318 -1.216 1.00 19.54 S ATOM 641 HA CYS A 44 8.276 28.561 -0.650 1.00 0.00 H ATOM 642 HB2 CYS A 44 7.061 29.297 -2.732 1.00 0.00 H ATOM 643 HB3 CYS A 44 6.243 30.532 -1.747 1.00 0.00 H ATOM 644 H CYS A 44 6.591 30.515 0.675 1.00 0.00 H ATOM 645 N PHE A 45 8.964 31.732 -1.116 1.00 17.08 N ATOM 646 CA PHE A 45 9.996 32.630 -1.619 1.00 17.72 C ATOM 647 C PHE A 45 11.345 32.212 -1.053 1.00 17.38 C ATOM 648 O PHE A 45 12.313 32.052 -1.792 1.00 17.49 O ATOM 649 CB PHE A 45 9.723 34.075 -1.203 1.00 18.60 C ATOM 650 CG PHE A 45 10.800 35.030 -1.632 1.00 20.39 C ATOM 651 CD1 PHE A 45 10.938 35.386 -2.963 1.00 20.61 C ATOM 652 CD2 PHE A 45 11.705 35.539 -0.706 1.00 20.85 C ATOM 653 CE1 PHE A 45 11.960 36.235 -3.375 1.00 21.19 C ATOM 654 CE2 PHE A 45 12.732 36.389 -1.108 1.00 21.41 C ATOM 655 CZ PHE A 45 12.860 36.737 -2.444 1.00 21.31 C ATOM 656 HA PHE A 45 9.996 32.570 -2.707 1.00 0.00 H ATOM 657 HB2 PHE A 45 8.781 34.392 -1.650 1.00 0.00 H ATOM 658 HB3 PHE A 45 9.639 34.113 -0.117 1.00 0.00 H ATOM 659 HD2 PHE A 45 11.609 35.269 0.346 1.00 0.00 H ATOM 660 HE2 PHE A 45 13.435 36.781 -0.373 1.00 0.00 H ATOM 661 HZ PHE A 45 13.663 37.402 -2.762 1.00 0.00 H ATOM 662 HE1 PHE A 45 12.054 36.506 -4.427 1.00 0.00 H ATOM 663 HD1 PHE A 45 10.235 34.995 -3.699 1.00 0.00 H ATOM 664 H PHE A 45 8.177 32.117 -0.556 1.00 0.00 H ATOM 665 N VAL A 46 11.408 32.047 0.263 1.00 17.26 N ATOM 666 CA VAL A 46 12.656 31.649 0.905 1.00 17.37 C ATOM 667 C VAL A 46 13.090 30.272 0.410 1.00 17.46 C ATOM 668 O VAL A 46 14.280 30.012 0.247 1.00 17.95 O ATOM 669 CB VAL A 46 12.520 31.624 2.440 1.00 17.71 C ATOM 670 CG1 VAL A 46 13.811 31.123 3.077 1.00 17.26 C ATOM 671 CG2 VAL A 46 12.221 33.024 2.939 1.00 17.51 C ATOM 672 HA VAL A 46 13.411 32.389 0.640 1.00 0.00 H ATOM 673 HB VAL A 46 11.707 30.951 2.714 1.00 0.00 H ATOM 674 HG11 VAL A 46 14.023 30.115 2.721 1.00 0.00 H ATOM 675 HG12 VAL A 46 14.631 31.786 2.802 1.00 0.00 H ATOM 676 HG13 VAL A 46 13.699 31.111 4.161 1.00 0.00 H ATOM 677 HG21 VAL A 46 13.035 33.691 2.655 1.00 0.00 H ATOM 678 HG22 VAL A 46 11.290 33.375 2.495 1.00 0.00 H ATOM 679 HG23 VAL A 46 12.124 33.009 4.025 1.00 0.00 H ATOM 680 H VAL A 46 10.559 32.203 0.842 1.00 0.00 H ATOM 681 N HIS A 47 12.122 29.397 0.158 1.00 17.20 N ATOM 682 CA HIS A 47 12.432 28.061 -0.337 1.00 17.48 C ATOM 683 C HIS A 47 13.072 28.166 -1.723 1.00 18.13 C ATOM 684 O HIS A 47 14.031 27.452 -2.027 1.00 18.06 O ATOM 685 CB HIS A 47 11.153 27.214 -0.394 1.00 17.58 C ATOM 686 CG HIS A 47 11.392 25.782 -0.762 1.00 17.24 C ATOM 687 ND1 HIS A 47 10.981 25.244 -1.964 1.00 17.41 N ATOM 688 CD2 HIS A 47 12.009 24.781 -0.092 1.00 17.01 C ATOM 689 CE1 HIS A 47 11.336 23.972 -2.015 1.00 17.49 C ATOM 690 NE2 HIS A 47 11.961 23.666 -0.893 1.00 17.75 N ATOM 691 HA HIS A 47 13.135 27.575 0.339 1.00 0.00 H ATOM 692 HB2 HIS A 47 10.678 27.242 0.587 1.00 0.00 H ATOM 693 HB3 HIS A 47 10.483 27.652 -1.134 1.00 0.00 H ATOM 694 HD2 HIS A 47 12.460 24.847 0.898 1.00 0.00 H ATOM 695 HE1 HIS A 47 11.145 23.290 -2.844 1.00 0.00 H ATOM 696 H HIS A 47 11.131 29.669 0.316 1.00 0.00 H ATOM 697 N ASP A 48 12.546 29.053 -2.566 1.00 18.43 N ATOM 698 CA ASP A 48 13.118 29.230 -3.898 1.00 19.95 C ATOM 699 C ASP A 48 14.546 29.752 -3.770 1.00 19.77 C ATOM 700 O ASP A 48 15.443 29.319 -4.493 1.00 20.27 O ATOM 701 CB ASP A 48 12.301 30.218 -4.739 1.00 21.25 C ATOM 702 CG ASP A 48 10.923 29.686 -5.111 1.00 23.68 C ATOM 703 OD1 ASP A 48 10.772 28.457 -5.249 1.00 24.92 O ATOM 704 OD2 ASP A 48 9.991 30.505 -5.283 1.00 25.16 O ATOM 705 HA ASP A 48 13.105 28.262 -4.399 1.00 0.00 H ATOM 706 HB2 ASP A 48 12.176 31.139 -4.169 1.00 0.00 H ATOM 707 HB3 ASP A 48 12.850 30.431 -5.656 1.00 0.00 H ATOM 708 H ASP A 48 11.725 29.621 -2.275 1.00 0.00 H ATOM 709 N CYS A 49 14.750 30.683 -2.845 1.00 19.38 N ATOM 710 CA CYS A 49 16.069 31.262 -2.618 1.00 19.56 C ATOM 711 C CYS A 49 17.046 30.206 -2.112 1.00 19.09 C ATOM 712 O CYS A 49 18.232 30.227 -2.442 1.00 19.12 O ATOM 713 CB CYS A 49 15.977 32.387 -1.591 1.00 20.34 C ATOM 714 SG CYS A 49 15.122 33.893 -2.157 1.00 21.34 S ATOM 715 HA CYS A 49 16.431 31.656 -3.567 1.00 0.00 H ATOM 716 HB2 CYS A 49 16.991 32.664 -1.303 1.00 0.00 H ATOM 717 HB3 CYS A 49 15.445 32.005 -0.720 1.00 0.00 H ATOM 718 H CYS A 49 13.948 31.008 -2.268 1.00 0.00 H ATOM 719 N CYS A 50 16.536 29.288 -1.303 1.00 18.51 N ATOM 720 CA CYS A 50 17.358 28.227 -0.743 1.00 18.20 C ATOM 721 C CYS A 50 17.876 27.336 -1.867 1.00 18.66 C ATOM 722 O CYS A 50 19.046 26.958 -1.881 1.00 18.95 O ATOM 723 CB CYS A 50 16.531 27.415 0.246 1.00 17.58 C ATOM 724 SG CYS A 50 17.487 26.421 1.427 1.00 16.49 S ATOM 725 HA CYS A 50 18.211 28.657 -0.218 1.00 0.00 H ATOM 726 HB2 CYS A 50 15.893 26.740 -0.324 1.00 0.00 H ATOM 727 HB3 CYS A 50 15.910 28.108 0.814 1.00 0.00 H ATOM 728 H CYS A 50 15.525 29.327 -1.063 1.00 0.00 H ATOM 729 N TYR A 51 17.003 26.998 -2.811 1.00 18.89 N ATOM 730 CA TYR A 51 17.418 26.171 -3.935 1.00 19.47 C ATOM 731 C TYR A 51 18.388 26.969 -4.802 1.00 20.27 C ATOM 732 O TYR A 51 19.290 26.405 -5.422 1.00 20.70 O ATOM 733 CB TYR A 51 16.221 25.766 -4.789 1.00 18.66 C ATOM 734 CG TYR A 51 15.388 24.615 -4.268 1.00 18.02 C ATOM 735 CD1 TYR A 51 15.738 23.904 -3.117 1.00 17.38 C ATOM 736 CD2 TYR A 51 14.261 24.212 -4.968 1.00 17.95 C ATOM 737 CE1 TYR A 51 14.966 22.809 -2.689 1.00 17.38 C ATOM 738 CE2 TYR A 51 13.493 23.133 -4.560 1.00 18.17 C ATOM 739 CZ TYR A 51 13.844 22.434 -3.426 1.00 17.23 C ATOM 740 OH TYR A 51 13.047 21.370 -3.057 1.00 18.33 O ATOM 741 HA TYR A 51 17.892 25.270 -3.546 1.00 0.00 H ATOM 742 HB3 TYR A 51 16.594 25.488 -5.775 1.00 0.00 H ATOM 743 HB2 TYR A 51 15.569 26.634 -4.881 1.00 0.00 H ATOM 744 HD2 TYR A 51 13.971 24.759 -5.865 1.00 0.00 H ATOM 745 HE2 TYR A 51 12.615 22.839 -5.134 1.00 0.00 H ATOM 746 HE1 TYR A 51 15.243 22.259 -1.790 1.00 0.00 H ATOM 747 HD1 TYR A 51 16.617 24.201 -2.546 1.00 0.00 H ATOM 748 HH TYR A 51 13.408 20.959 -2.232 1.00 0.00 H ATOM 749 H TYR A 51 16.018 27.326 -2.746 1.00 0.00 H ATOM 750 N GLY A 52 18.189 28.281 -4.844 1.00 21.14 N ATOM 751 CA GLY A 52 19.054 29.145 -5.629 1.00 22.40 C ATOM 752 C GLY A 52 20.491 29.185 -5.147 1.00 23.13 C ATOM 753 O GLY A 52 21.389 29.573 -5.900 1.00 23.76 O ATOM 754 HA3 GLY A 52 18.652 30.157 -5.592 1.00 0.00 H ATOM 755 HA2 GLY A 52 19.048 28.791 -6.660 1.00 0.00 H ATOM 756 H GLY A 52 17.402 28.697 -4.307 1.00 0.00 H ATOM 757 N ASN A 53 20.721 28.799 -3.896 1.00 23.76 N ATOM 758 CA ASN A 53 22.072 28.781 -3.344 1.00 25.03 C ATOM 759 C ASN A 53 22.782 27.491 -3.753 1.00 25.24 C ATOM 760 O ASN A 53 23.948 27.292 -3.415 1.00 25.31 O ATOM 761 CB ASN A 53 22.048 28.844 -1.812 1.00 26.30 C ATOM 762 CG ASN A 53 21.387 30.100 -1.280 1.00 27.96 C ATOM 763 OD1 ASN A 53 21.657 31.207 -1.748 1.00 29.05 O ATOM 764 ND2 ASN A 53 20.527 29.934 -0.278 1.00 28.86 N ATOM 765 HA ASN A 53 22.598 29.653 -3.733 1.00 0.00 H ATOM 766 HB2 ASN A 53 21.502 27.978 -1.437 1.00 0.00 H ATOM 767 HB3 ASN A 53 23.074 28.810 -1.447 1.00 0.00 H ATOM 768 HD22 ASN A 53 20.330 28.980 0.085 1.00 0.00 H ATOM 769 HD21 ASN A 53 20.052 30.759 0.142 1.00 0.00 H ATOM 770 H ASN A 53 19.922 28.504 -3.299 1.00 0.00 H ATOM 771 N LEU A 54 22.069 26.625 -4.471 1.00 25.33 N ATOM 772 CA LEU A 54 22.603 25.330 -4.915 1.00 26.13 C ATOM 773 C LEU A 54 22.515 25.198 -6.441 1.00 26.20 C ATOM 774 O LEU A 54 21.802 24.339 -6.962 1.00 26.24 O ATOM 775 CB LEU A 54 21.801 24.191 -4.271 1.00 25.85 C ATOM 776 CG LEU A 54 21.534 24.258 -2.766 1.00 26.02 C ATOM 777 CD1 LEU A 54 20.558 23.160 -2.372 1.00 26.15 C ATOM 778 CD2 LEU A 54 22.839 24.126 -2.003 1.00 26.54 C ATOM 779 HA LEU A 54 23.649 25.271 -4.613 1.00 0.00 H ATOM 780 HB2 LEU A 54 20.833 24.154 -4.770 1.00 0.00 H ATOM 781 HB3 LEU A 54 22.343 23.265 -4.463 1.00 0.00 H ATOM 782 HG LEU A 54 21.090 25.221 -2.515 1.00 0.00 H ATOM 783 HD21 LEU A 54 23.304 23.170 -2.244 1.00 0.00 H ATOM 784 HD22 LEU A 54 23.508 24.939 -2.286 1.00 0.00 H ATOM 785 HD23 LEU A 54 22.639 24.175 -0.933 1.00 0.00 H ATOM 786 HD11 LEU A 54 19.622 23.297 -2.913 1.00 0.00 H ATOM 787 HD12 LEU A 54 20.985 22.189 -2.622 1.00 0.00 H ATOM 788 HD13 LEU A 54 20.370 23.210 -1.300 1.00 0.00 H ATOM 789 H LEU A 54 21.093 26.876 -4.728 1.00 0.00 H ATOM 790 N PRO A 55 23.258 26.039 -7.173 1.00 26.73 N ATOM 791 CA PRO A 55 23.291 26.062 -8.640 1.00 27.12 C ATOM 792 C PRO A 55 23.598 24.730 -9.324 1.00 27.10 C ATOM 793 O PRO A 55 23.059 24.435 -10.393 1.00 27.75 O ATOM 794 CB PRO A 55 24.361 27.112 -8.944 1.00 27.21 C ATOM 795 CG PRO A 55 24.306 28.016 -7.745 1.00 28.04 C ATOM 796 CD PRO A 55 24.194 27.030 -6.617 1.00 27.27 C ATOM 797 HA PRO A 55 22.302 26.288 -9.038 1.00 0.00 H ATOM 798 HD3 PRO A 55 25.159 26.579 -6.387 1.00 0.00 H ATOM 799 HD2 PRO A 55 23.790 27.498 -5.719 1.00 0.00 H ATOM 800 HG3 PRO A 55 23.438 28.674 -7.784 1.00 0.00 H ATOM 801 HG2 PRO A 55 25.212 28.616 -7.659 1.00 0.00 H ATOM 802 HB2 PRO A 55 25.344 26.652 -9.042 1.00 0.00 H ATOM 803 HB3 PRO A 55 24.125 27.658 -9.857 1.00 0.00 H ATOM 804 N ASP A 56 24.466 23.932 -8.712 1.00 26.66 N ATOM 805 CA ASP A 56 24.848 22.653 -9.294 1.00 26.01 C ATOM 806 C ASP A 56 24.125 21.433 -8.738 1.00 24.63 C ATOM 807 O ASP A 56 24.581 20.305 -8.911 1.00 24.32 O ATOM 808 CB ASP A 56 26.360 22.466 -9.172 1.00 28.05 C ATOM 809 CG ASP A 56 27.129 23.319 -10.166 1.00 29.55 C ATOM 810 OD1 ASP A 56 28.376 23.338 -10.103 1.00 31.59 O ATOM 811 OD2 ASP A 56 26.483 23.963 -11.019 1.00 30.41 O ATOM 812 HA ASP A 56 24.536 22.709 -10.337 1.00 0.00 H ATOM 813 HB2 ASP A 56 26.667 22.741 -8.163 1.00 0.00 H ATOM 814 HB3 ASP A 56 26.599 21.418 -9.351 1.00 0.00 H ATOM 815 H ASP A 56 24.879 24.225 -7.804 1.00 0.00 H ATOM 816 N CYS A 57 23.004 21.658 -8.064 1.00 22.69 N ATOM 817 CA CYS A 57 22.220 20.550 -7.534 1.00 21.55 C ATOM 818 C CYS A 57 20.932 20.482 -8.344 1.00 21.51 C ATOM 819 O CYS A 57 20.628 21.402 -9.101 1.00 21.76 O ATOM 820 CB CYS A 57 21.896 20.767 -6.062 1.00 20.13 C ATOM 821 SG CYS A 57 23.327 20.817 -4.937 1.00 18.08 S ATOM 822 HA CYS A 57 22.784 19.620 -7.611 1.00 0.00 H ATOM 823 HB2 CYS A 57 21.244 19.955 -5.739 1.00 0.00 H ATOM 824 HB3 CYS A 57 21.366 21.715 -5.972 1.00 0.00 H ATOM 825 H CYS A 57 22.682 22.635 -7.913 1.00 0.00 H ATOM 826 N ASN A 58 20.177 19.400 -8.178 1.00 21.48 N ATOM 827 CA ASN A 58 18.934 19.198 -8.914 1.00 22.25 C ATOM 828 C ASN A 58 17.832 18.755 -7.948 1.00 22.73 C ATOM 829 O ASN A 58 17.517 17.576 -7.850 1.00 22.99 O ATOM 830 CB ASN A 58 19.162 18.133 -9.995 1.00 22.77 C ATOM 831 CG ASN A 58 20.145 18.591 -11.066 1.00 23.65 C ATOM 832 OD1 ASN A 58 19.768 19.269 -12.019 1.00 24.42 O ATOM 833 ND2 ASN A 58 21.415 18.233 -10.901 1.00 23.42 N ATOM 834 HA ASN A 58 18.624 20.129 -9.389 1.00 0.00 H ATOM 835 HB2 ASN A 58 19.554 17.233 -9.522 1.00 0.00 H ATOM 836 HB3 ASN A 58 18.207 17.906 -10.470 1.00 0.00 H ATOM 837 HD22 ASN A 58 21.691 17.658 -10.079 1.00 0.00 H ATOM 838 HD21 ASN A 58 22.133 18.528 -11.594 1.00 0.00 H ATOM 839 H ASN A 58 20.483 18.673 -7.500 1.00 0.00 H ATOM 840 N PRO A 59 17.234 19.715 -7.222 1.00 23.36 N ATOM 841 CA PRO A 59 16.167 19.495 -6.240 1.00 23.95 C ATOM 842 C PRO A 59 14.950 18.679 -6.654 1.00 24.63 C ATOM 843 O PRO A 59 14.393 17.950 -5.834 1.00 24.82 O ATOM 844 CB PRO A 59 15.778 20.908 -5.836 1.00 23.84 C ATOM 845 CG PRO A 59 17.052 21.637 -5.928 1.00 24.46 C ATOM 846 CD PRO A 59 17.644 21.130 -7.226 1.00 24.05 C ATOM 847 HA PRO A 59 16.552 18.856 -5.446 1.00 0.00 H ATOM 848 HD3 PRO A 59 17.229 21.660 -8.084 1.00 0.00 H ATOM 849 HD2 PRO A 59 18.730 21.227 -7.231 1.00 0.00 H ATOM 850 HG3 PRO A 59 17.700 21.402 -5.084 1.00 0.00 H ATOM 851 HG2 PRO A 59 16.885 22.713 -5.968 1.00 0.00 H ATOM 852 HB2 PRO A 59 15.038 21.323 -6.521 1.00 0.00 H ATOM 853 HB3 PRO A 59 15.384 20.932 -4.820 1.00 0.00 H ATOM 854 N LYS A 60 14.523 18.805 -7.904 1.00 25.12 N ATOM 855 CA LYS A 60 13.347 18.068 -8.367 1.00 25.97 C ATOM 856 C LYS A 60 13.507 16.565 -8.397 1.00 25.69 C ATOM 857 O LYS A 60 12.671 15.825 -7.901 1.00 25.85 O ATOM 858 CB LYS A 60 12.970 18.463 -9.788 1.00 27.26 C ATOM 859 CG LYS A 60 12.750 19.947 -9.983 1.00 29.52 C ATOM 860 CD LYS A 60 11.349 20.218 -10.529 1.00 31.43 C ATOM 861 CE LYS A 60 11.106 19.471 -11.828 1.00 32.38 C ATOM 862 NZ LYS A 60 9.703 19.638 -12.302 1.00 33.98 N ATOM 863 HA LYS A 60 12.585 18.334 -7.634 1.00 0.00 H ATOM 864 HB2 LYS A 60 13.772 18.146 -10.455 1.00 0.00 H ATOM 865 HB3 LYS A 60 12.050 17.943 -10.055 1.00 0.00 H ATOM 866 HG2 LYS A 60 12.866 20.455 -9.026 1.00 0.00 H ATOM 867 HG3 LYS A 60 13.489 20.329 -10.687 1.00 0.00 H ATOM 868 HD2 LYS A 60 10.613 19.897 -9.792 1.00 0.00 H ATOM 869 HD3 LYS A 60 11.239 21.287 -10.709 1.00 0.00 H ATOM 870 HE2 LYS A 60 11.302 18.411 -11.669 1.00 0.00 H ATOM 871 HE3 LYS A 60 11.785 19.855 -12.589 1.00 0.00 H ATOM 872 HZ1 LYS A 60 9.049 19.269 -11.583 1.00 0.00 H ATOM 873 HZ2 LYS A 60 9.510 20.647 -12.462 1.00 0.00 H ATOM 874 HZ3 LYS A 60 9.574 19.114 -13.191 1.00 0.00 H ATOM 875 H LYS A 60 15.029 19.433 -8.560 1.00 0.00 H ATOM 876 N SER A 61 14.616 16.124 -8.976 1.00 24.76 N ATOM 877 CA SER A 61 14.884 14.705 -9.160 1.00 24.34 C ATOM 878 C SER A 61 15.802 14.007 -8.173 1.00 23.48 C ATOM 879 O SER A 61 15.743 12.783 -8.035 1.00 23.55 O ATOM 880 CB SER A 61 15.442 14.491 -10.561 1.00 24.77 C ATOM 881 OG SER A 61 16.578 15.315 -10.776 1.00 25.92 O ATOM 882 HA SER A 61 13.913 14.243 -8.983 1.00 0.00 H ATOM 883 HB2 SER A 61 14.675 14.739 -11.295 1.00 0.00 H ATOM 884 HB3 SER A 61 15.730 13.446 -10.677 1.00 0.00 H ATOM 885 HG SER A 61 16.926 15.163 -11.690 1.00 0.00 H ATOM 886 H SER A 61 15.318 16.815 -9.310 1.00 0.00 H ATOM 887 N ASP A 62 16.662 14.763 -7.501 1.00 22.16 N ATOM 888 CA ASP A 62 17.588 14.148 -6.564 1.00 21.40 C ATOM 889 C ASP A 62 16.862 13.759 -5.283 1.00 21.80 C ATOM 890 O ASP A 62 16.316 14.611 -4.578 1.00 21.64 O ATOM 891 CB ASP A 62 18.745 15.105 -6.259 1.00 20.07 C ATOM 892 CG ASP A 62 19.970 14.391 -5.704 1.00 19.31 C ATOM 893 OD1 ASP A 62 19.890 13.176 -5.434 1.00 19.14 O ATOM 894 OD2 ASP A 62 21.017 15.053 -5.535 1.00 17.47 O ATOM 895 HA ASP A 62 17.997 13.244 -7.015 1.00 0.00 H ATOM 896 HB2 ASP A 62 19.027 15.616 -7.180 1.00 0.00 H ATOM 897 HB3 ASP A 62 18.407 15.838 -5.527 1.00 0.00 H ATOM 898 H ASP A 62 16.673 15.793 -7.645 1.00 0.00 H ATOM 899 N ARG A 63 16.868 12.466 -4.981 1.00 22.37 N ATOM 900 CA ARG A 63 16.193 11.962 -3.792 1.00 23.52 C ATOM 901 C ARG A 63 17.105 11.902 -2.578 1.00 23.27 C ATOM 902 O ARG A 63 18.255 11.472 -2.667 1.00 23.38 O ATOM 903 CB ARG A 63 15.628 10.565 -4.061 1.00 25.18 C ATOM 904 CG ARG A 63 15.032 10.430 -5.443 1.00 27.65 C ATOM 905 CD ARG A 63 13.641 9.847 -5.430 1.00 29.81 C ATOM 906 NE ARG A 63 13.594 8.462 -4.987 1.00 31.73 N ATOM 907 CZ ARG A 63 12.629 7.615 -5.332 1.00 32.85 C ATOM 908 NH1 ARG A 63 11.644 8.020 -6.123 1.00 33.77 N ATOM 909 NH2 ARG A 63 12.644 6.367 -4.889 1.00 33.10 N ATOM 910 HA ARG A 63 15.389 12.664 -3.569 1.00 0.00 H ATOM 911 HB2 ARG A 63 16.433 9.837 -3.956 1.00 0.00 H ATOM 912 HB3 ARG A 63 14.852 10.355 -3.325 1.00 0.00 H ATOM 913 HG2 ARG A 63 14.991 11.418 -5.902 1.00 0.00 H ATOM 914 HG3 ARG A 63 15.675 9.781 -6.037 1.00 0.00 H ATOM 915 HD2 ARG A 63 13.235 9.900 -6.440 1.00 0.00 H ATOM 916 HD3 ARG A 63 13.023 10.445 -4.760 1.00 0.00 H ATOM 917 HE ARG A 63 14.355 8.116 -4.368 1.00 0.00 H ATOM 918 HH12 ARG A 63 10.889 7.358 -6.393 1.00 0.00 H ATOM 919 HH11 ARG A 63 11.627 8.999 -6.473 1.00 0.00 H ATOM 920 HH22 ARG A 63 11.886 5.709 -5.162 1.00 0.00 H ATOM 921 HH21 ARG A 63 13.413 6.045 -4.268 1.00 0.00 H ATOM 922 H ARG A 63 17.365 11.799 -5.606 1.00 0.00 H ATOM 923 N TYR A 64 16.588 12.343 -1.437 1.00 23.03 N ATOM 924 CA TYR A 64 17.354 12.293 -0.199 1.00 22.54 C ATOM 925 C TYR A 64 16.575 11.432 0.780 1.00 22.94 C ATOM 926 O TYR A 64 15.448 11.027 0.498 1.00 22.96 O ATOM 927 CB TYR A 64 17.562 13.700 0.373 1.00 21.69 C ATOM 928 CG TYR A 64 16.296 14.508 0.540 1.00 20.81 C ATOM 929 CD1 TYR A 64 15.422 14.274 1.606 1.00 20.61 C ATOM 930 CD2 TYR A 64 15.966 15.508 -0.372 1.00 20.55 C ATOM 931 CE1 TYR A 64 14.250 15.022 1.752 1.00 20.53 C ATOM 932 CE2 TYR A 64 14.801 16.258 -0.236 1.00 20.80 C ATOM 933 CZ TYR A 64 13.950 16.010 0.826 1.00 20.42 C ATOM 934 OH TYR A 64 12.797 16.747 0.949 1.00 20.71 O ATOM 935 HA TYR A 64 18.342 11.871 -0.383 1.00 0.00 H ATOM 936 HB3 TYR A 64 18.227 14.245 -0.298 1.00 0.00 H ATOM 937 HB2 TYR A 64 18.034 13.603 1.350 1.00 0.00 H ATOM 938 HD2 TYR A 64 16.634 15.707 -1.210 1.00 0.00 H ATOM 939 HE2 TYR A 64 14.561 17.035 -0.961 1.00 0.00 H ATOM 940 HE1 TYR A 64 13.577 14.830 2.588 1.00 0.00 H ATOM 941 HD1 TYR A 64 15.658 13.497 2.334 1.00 0.00 H ATOM 942 HH TYR A 64 13.027 17.706 1.036 1.00 0.00 H ATOM 943 H TYR A 64 15.623 12.730 -1.427 1.00 0.00 H ATOM 944 N LYS A 65 17.185 11.132 1.917 1.00 23.66 N ATOM 945 CA LYS A 65 16.531 10.324 2.935 1.00 24.98 C ATOM 946 C LYS A 65 16.361 11.145 4.205 1.00 25.05 C ATOM 947 O LYS A 65 17.255 11.897 4.592 1.00 24.83 O ATOM 948 CB LYS A 65 17.367 9.080 3.246 1.00 26.30 C ATOM 949 CG LYS A 65 17.554 8.127 2.078 1.00 28.10 C ATOM 950 CD LYS A 65 16.251 7.442 1.702 1.00 29.80 C ATOM 951 CE LYS A 65 16.479 6.395 0.620 1.00 31.02 C ATOM 952 NZ LYS A 65 15.230 5.657 0.295 1.00 32.00 N ATOM 953 HA LYS A 65 15.555 10.013 2.562 1.00 0.00 H ATOM 954 HB2 LYS A 65 18.352 9.408 3.577 1.00 0.00 H ATOM 955 HB3 LYS A 65 16.877 8.535 4.053 1.00 0.00 H ATOM 956 HG2 LYS A 65 17.920 8.688 1.218 1.00 0.00 H ATOM 957 HG3 LYS A 65 18.286 7.368 2.354 1.00 0.00 H ATOM 958 HD2 LYS A 65 15.834 6.958 2.585 1.00 0.00 H ATOM 959 HD3 LYS A 65 15.548 8.189 1.333 1.00 0.00 H ATOM 960 HE2 LYS A 65 17.229 5.685 0.968 1.00 0.00 H ATOM 961 HE3 LYS A 65 16.841 6.891 -0.281 1.00 0.00 H ATOM 962 HZ1 LYS A 65 14.881 5.175 1.148 1.00 0.00 H ATOM 963 HZ2 LYS A 65 14.511 6.327 -0.044 1.00 0.00 H ATOM 964 HZ3 LYS A 65 15.427 4.954 -0.445 1.00 0.00 H ATOM 965 H LYS A 65 18.150 11.481 2.085 1.00 0.00 H ATOM 966 N TYR A 66 15.206 11.011 4.845 1.00 25.55 N ATOM 967 CA TYR A 66 14.950 11.728 6.083 1.00 26.39 C ATOM 968 C TYR A 66 14.077 10.853 6.963 1.00 27.41 C ATOM 969 O TYR A 66 13.332 10.011 6.466 1.00 27.50 O ATOM 970 CB TYR A 66 14.255 13.070 5.807 1.00 25.67 C ATOM 971 CG TYR A 66 12.763 12.998 5.545 1.00 25.77 C ATOM 972 CD1 TYR A 66 11.847 13.035 6.597 1.00 25.22 C ATOM 973 CD2 TYR A 66 12.267 12.928 4.244 1.00 24.91 C ATOM 974 CE1 TYR A 66 10.473 13.012 6.360 1.00 25.11 C ATOM 975 CE2 TYR A 66 10.896 12.903 3.995 1.00 25.23 C ATOM 976 CZ TYR A 66 10.005 12.948 5.059 1.00 25.22 C ATOM 977 OH TYR A 66 8.649 12.947 4.817 1.00 25.87 O ATOM 978 HA TYR A 66 15.894 11.946 6.583 1.00 0.00 H ATOM 979 HB3 TYR A 66 14.727 13.518 4.933 1.00 0.00 H ATOM 980 HB2 TYR A 66 14.412 13.713 6.673 1.00 0.00 H ATOM 981 HD2 TYR A 66 12.964 12.892 3.407 1.00 0.00 H ATOM 982 HE2 TYR A 66 10.525 12.848 2.971 1.00 0.00 H ATOM 983 HE1 TYR A 66 9.772 13.044 7.194 1.00 0.00 H ATOM 984 HD1 TYR A 66 12.212 13.083 7.623 1.00 0.00 H ATOM 985 HH TYR A 66 8.161 12.982 5.678 1.00 0.00 H ATOM 986 H TYR A 66 14.474 10.384 4.455 1.00 0.00 H ATOM 987 N LYS A 67 14.188 11.040 8.271 1.00 28.78 N ATOM 988 CA LYS A 67 13.390 10.272 9.209 1.00 30.36 C ATOM 989 C LYS A 67 12.741 11.212 10.206 1.00 31.45 C ATOM 990 O LYS A 67 13.160 12.361 10.355 1.00 31.18 O ATOM 991 CB LYS A 67 14.254 9.253 9.957 1.00 30.81 C ATOM 992 CG LYS A 67 15.413 9.852 10.737 1.00 31.78 C ATOM 993 CD LYS A 67 16.025 8.812 11.665 1.00 33.13 C ATOM 994 CE LYS A 67 17.397 9.239 12.165 1.00 33.78 C ATOM 995 NZ LYS A 67 17.950 8.257 13.146 1.00 34.74 N ATOM 996 HA LYS A 67 12.625 9.732 8.651 1.00 0.00 H ATOM 997 HB2 LYS A 67 13.615 8.715 10.658 1.00 0.00 H ATOM 998 HB3 LYS A 67 14.661 8.553 9.228 1.00 0.00 H ATOM 999 HG2 LYS A 67 16.173 10.202 10.039 1.00 0.00 H ATOM 1000 HG3 LYS A 67 15.051 10.693 11.329 1.00 0.00 H ATOM 1001 HD2 LYS A 67 15.365 8.671 12.521 1.00 0.00 H ATOM 1002 HD3 LYS A 67 16.123 7.871 11.124 1.00 0.00 H ATOM 1003 HE2 LYS A 67 17.312 10.213 12.647 1.00 0.00 H ATOM 1004 HE3 LYS A 67 18.077 9.314 11.316 1.00 0.00 H ATOM 1005 HZ1 LYS A 67 17.309 8.185 13.962 1.00 0.00 H ATOM 1006 HZ2 LYS A 67 18.039 7.326 12.690 1.00 0.00 H ATOM 1007 HZ3 LYS A 67 18.886 8.579 13.467 1.00 0.00 H ATOM 1008 H LYS A 67 14.858 11.749 8.631 1.00 0.00 H ATOM 1009 N ARG A 68 11.707 10.724 10.877 1.00 32.71 N ATOM 1010 CA ARG A 68 11.018 11.526 11.871 1.00 34.35 C ATOM 1011 C ARG A 68 11.487 11.032 13.235 1.00 35.27 C ATOM 1012 O ARG A 68 11.381 9.843 13.542 1.00 35.52 O ATOM 1013 CB ARG A 68 9.497 11.342 11.772 1.00 34.47 C ATOM 1014 CG ARG A 68 8.892 11.360 10.369 1.00 35.12 C ATOM 1015 CD ARG A 68 8.886 12.731 9.700 1.00 35.57 C ATOM 1016 NE ARG A 68 8.369 13.793 10.557 1.00 35.23 N ATOM 1017 CZ ARG A 68 7.788 14.906 10.113 1.00 34.89 C ATOM 1018 NH1 ARG A 68 7.626 15.113 8.814 1.00 35.26 N ATOM 1019 NH2 ARG A 68 7.399 15.836 10.970 1.00 34.72 N ATOM 1020 HA ARG A 68 11.239 12.582 11.717 1.00 0.00 H ATOM 1021 HB2 ARG A 68 9.250 10.382 12.226 1.00 0.00 H ATOM 1022 HB3 ARG A 68 9.029 12.144 12.344 1.00 0.00 H ATOM 1023 HG2 ARG A 68 9.465 10.677 9.742 1.00 0.00 H ATOM 1024 HG3 ARG A 68 7.862 11.010 10.438 1.00 0.00 H ATOM 1025 HD2 ARG A 68 8.266 12.676 8.805 1.00 0.00 H ATOM 1026 HD3 ARG A 68 9.908 12.982 9.417 1.00 0.00 H ATOM 1027 HE ARG A 68 8.461 13.672 11.586 1.00 0.00 H ATOM 1028 HH12 ARG A 68 7.171 15.986 8.479 1.00 0.00 H ATOM 1029 HH11 ARG A 68 7.954 14.402 8.129 1.00 0.00 H ATOM 1030 HH22 ARG A 68 6.945 16.705 10.624 1.00 0.00 H ATOM 1031 HH21 ARG A 68 7.547 15.698 11.990 1.00 0.00 H ATOM 1032 H ARG A 68 11.385 9.753 10.688 1.00 0.00 H ATOM 1033 N VAL A 69 12.039 11.934 14.036 1.00 36.17 N ATOM 1034 CA VAL A 69 12.481 11.583 15.377 1.00 37.26 C ATOM 1035 C VAL A 69 11.456 12.229 16.296 1.00 37.77 C ATOM 1036 O VAL A 69 11.622 13.369 16.735 1.00 37.84 O ATOM 1037 CB VAL A 69 13.889 12.138 15.684 1.00 37.47 C ATOM 1038 CG1 VAL A 69 14.242 11.901 17.145 1.00 37.76 C ATOM 1039 CG2 VAL A 69 14.914 11.455 14.793 1.00 37.67 C ATOM 1040 HA VAL A 69 12.551 10.502 15.502 1.00 0.00 H ATOM 1041 HB VAL A 69 13.895 13.210 15.489 1.00 0.00 H ATOM 1042 HG11 VAL A 69 13.513 12.405 17.780 1.00 0.00 H ATOM 1043 HG12 VAL A 69 14.227 10.831 17.352 1.00 0.00 H ATOM 1044 HG13 VAL A 69 15.237 12.298 17.346 1.00 0.00 H ATOM 1045 HG21 VAL A 69 14.899 10.381 14.981 1.00 0.00 H ATOM 1046 HG22 VAL A 69 14.670 11.646 13.748 1.00 0.00 H ATOM 1047 HG23 VAL A 69 15.906 11.850 15.013 1.00 0.00 H ATOM 1048 H VAL A 69 12.158 12.911 13.699 1.00 0.00 H ATOM 1049 N ASN A 70 10.380 11.492 16.554 1.00 38.33 N ATOM 1050 CA ASN A 70 9.285 11.971 17.389 1.00 38.60 C ATOM 1051 C ASN A 70 8.705 13.275 16.854 1.00 38.16 C ATOM 1052 O ASN A 70 8.463 14.211 17.611 1.00 38.92 O ATOM 1053 CB ASN A 70 9.758 12.166 18.828 1.00 39.49 C ATOM 1054 CG ASN A 70 9.238 11.092 19.756 1.00 40.25 C ATOM 1055 OD1 ASN A 70 9.399 9.898 19.496 1.00 40.97 O ATOM 1056 ND2 ASN A 70 8.607 11.510 20.848 1.00 40.74 N ATOM 1057 HA ASN A 70 8.500 11.215 17.368 1.00 0.00 H ATOM 1058 HB2 ASN A 70 10.848 12.146 18.844 1.00 0.00 H ATOM 1059 HB3 ASN A 70 9.409 13.135 19.183 1.00 0.00 H ATOM 1060 HD22 ASN A 70 8.495 12.528 21.026 1.00 0.00 H ATOM 1061 HD21 ASN A 70 8.225 10.819 21.525 1.00 0.00 H ATOM 1062 H ASN A 70 10.317 10.538 16.145 1.00 0.00 H ATOM 1063 N GLY A 71 8.476 13.335 15.547 1.00 37.20 N ATOM 1064 CA GLY A 71 7.929 14.547 14.963 1.00 35.47 C ATOM 1065 C GLY A 71 8.983 15.427 14.314 1.00 34.12 C ATOM 1066 O GLY A 71 8.727 16.055 13.289 1.00 34.25 O ATOM 1067 HA3 GLY A 71 7.436 15.119 15.749 1.00 0.00 H ATOM 1068 HA2 GLY A 71 7.197 14.267 14.206 1.00 0.00 H ATOM 1069 H GLY A 71 8.688 12.515 14.943 1.00 0.00 H ATOM 1070 N ALA A 72 10.171 15.483 14.907 1.00 32.56 N ATOM 1071 CA ALA A 72 11.247 16.294 14.349 1.00 31.08 C ATOM 1072 C ALA A 72 11.765 15.673 13.056 1.00 30.03 C ATOM 1073 O ALA A 72 11.901 14.455 12.957 1.00 30.22 O ATOM 1074 CB ALA A 72 12.385 16.423 15.356 1.00 31.21 C ATOM 1075 HA ALA A 72 10.854 17.286 14.129 1.00 0.00 H ATOM 1076 HB1 ALA A 72 12.013 16.898 16.264 1.00 0.00 H ATOM 1077 HB2 ALA A 72 12.771 15.432 15.595 1.00 0.00 H ATOM 1078 HB3 ALA A 72 13.181 17.031 14.926 1.00 0.00 H ATOM 1079 H ALA A 72 10.335 14.942 15.780 1.00 0.00 H ATOM 1080 N ILE A 73 12.043 16.517 12.066 1.00 28.59 N ATOM 1081 CA ILE A 73 12.563 16.056 10.782 1.00 27.12 C ATOM 1082 C ILE A 73 14.083 15.994 10.874 1.00 26.27 C ATOM 1083 O ILE A 73 14.730 16.965 11.269 1.00 25.96 O ATOM 1084 CB ILE A 73 12.174 17.027 9.639 1.00 26.68 C ATOM 1085 CG1 ILE A 73 10.650 17.095 9.512 1.00 26.83 C ATOM 1086 CG2 ILE A 73 12.798 16.570 8.319 1.00 26.54 C ATOM 1087 CD1 ILE A 73 10.160 18.098 8.481 1.00 26.20 C ATOM 1088 HA ILE A 73 12.139 15.076 10.562 1.00 0.00 H ATOM 1089 HB ILE A 73 12.554 18.021 9.874 1.00 0.00 H ATOM 1090 HG12 ILE A 73 10.285 16.107 9.230 1.00 0.00 H ATOM 1091 HG13 ILE A 73 10.237 17.371 10.482 1.00 0.00 H ATOM 1092 HD11 ILE A 73 10.506 19.095 8.753 1.00 0.00 H ATOM 1093 HD12 ILE A 73 10.554 17.831 7.500 1.00 0.00 H ATOM 1094 HD13 ILE A 73 9.070 18.085 8.452 1.00 0.00 H ATOM 1095 HG21 ILE A 73 13.883 16.553 8.418 1.00 0.00 H ATOM 1096 HG22 ILE A 73 12.438 15.570 8.075 1.00 0.00 H ATOM 1097 HG23 ILE A 73 12.515 17.262 7.526 1.00 0.00 H ATOM 1098 H ILE A 73 11.885 17.535 12.211 1.00 0.00 H ATOM 1099 N VAL A 74 14.654 14.848 10.520 1.00 25.52 N ATOM 1100 CA VAL A 74 16.098 14.682 10.569 1.00 25.16 C ATOM 1101 C VAL A 74 16.605 14.209 9.214 1.00 24.33 C ATOM 1102 O VAL A 74 16.272 13.117 8.763 1.00 24.09 O ATOM 1103 CB VAL A 74 16.510 13.655 11.644 1.00 25.46 C ATOM 1104 CG1 VAL A 74 18.023 13.544 11.703 1.00 25.96 C ATOM 1105 CG2 VAL A 74 15.953 14.073 13.000 1.00 26.09 C ATOM 1106 HA VAL A 74 16.537 15.647 10.823 1.00 0.00 H ATOM 1107 HB VAL A 74 16.100 12.679 11.383 1.00 0.00 H ATOM 1108 HG11 VAL A 74 18.400 13.220 10.733 1.00 0.00 H ATOM 1109 HG12 VAL A 74 18.448 14.516 11.953 1.00 0.00 H ATOM 1110 HG13 VAL A 74 18.303 12.817 12.465 1.00 0.00 H ATOM 1111 HG21 VAL A 74 16.348 15.053 13.267 1.00 0.00 H ATOM 1112 HG22 VAL A 74 14.865 14.121 12.945 1.00 0.00 H ATOM 1113 HG23 VAL A 74 16.248 13.343 13.753 1.00 0.00 H ATOM 1114 H VAL A 74 14.059 14.057 10.203 1.00 0.00 H ATOM 1115 N CYS A 75 17.398 15.051 8.563 1.00 23.76 N ATOM 1116 CA CYS A 75 17.956 14.711 7.268 1.00 23.68 C ATOM 1117 C CYS A 75 19.090 13.717 7.469 1.00 24.24 C ATOM 1118 O CYS A 75 19.975 13.933 8.295 1.00 24.64 O ATOM 1119 CB CYS A 75 18.476 15.967 6.569 1.00 22.15 C ATOM 1120 SG CYS A 75 17.178 17.151 6.087 1.00 20.81 S ATOM 1121 HA CYS A 75 17.183 14.267 6.642 1.00 0.00 H ATOM 1122 HB2 CYS A 75 19.010 15.661 5.669 1.00 0.00 H ATOM 1123 HB3 CYS A 75 19.166 16.473 7.245 1.00 0.00 H ATOM 1124 H CYS A 75 17.624 15.972 8.990 1.00 0.00 H ATOM 1125 N GLU A 76 19.057 12.620 6.721 1.00 24.89 N ATOM 1126 CA GLU A 76 20.089 11.601 6.833 1.00 25.87 C ATOM 1127 C GLU A 76 21.221 11.879 5.851 1.00 25.63 C ATOM 1128 O GLU A 76 21.024 12.538 4.831 1.00 25.75 O ATOM 1129 CB GLU A 76 19.473 10.216 6.610 1.00 27.19 C ATOM 1130 CG GLU A 76 18.490 9.857 7.725 1.00 29.46 C ATOM 1131 CD GLU A 76 17.711 8.587 7.472 1.00 30.78 C ATOM 1132 OE1 GLU A 76 16.941 8.546 6.489 1.00 32.06 O ATOM 1133 OE2 GLU A 76 17.861 7.632 8.263 1.00 32.42 O ATOM 1134 HA GLU A 76 20.516 11.625 7.836 1.00 0.00 H ATOM 1135 HB2 GLU A 76 18.945 10.212 5.656 1.00 0.00 H ATOM 1136 HB3 GLU A 76 20.270 9.473 6.586 1.00 0.00 H ATOM 1137 HG2 GLU A 76 19.051 9.736 8.652 1.00 0.00 H ATOM 1138 HG3 GLU A 76 17.781 10.678 7.835 1.00 0.00 H ATOM 1139 H GLU A 76 18.280 12.487 6.043 1.00 0.00 H ATOM 1140 N LYS A 77 22.408 11.383 6.175 1.00 25.17 N ATOM 1141 CA LYS A 77 23.591 11.598 5.352 1.00 25.09 C ATOM 1142 C LYS A 77 23.477 11.054 3.929 1.00 24.08 C ATOM 1143 O LYS A 77 23.142 9.888 3.718 1.00 24.28 O ATOM 1144 CB LYS A 77 24.811 10.981 6.046 1.00 26.66 C ATOM 1145 CG LYS A 77 26.131 11.238 5.342 1.00 28.66 C ATOM 1146 CD LYS A 77 27.286 10.564 6.067 1.00 30.32 C ATOM 1147 CE LYS A 77 28.614 10.896 5.404 1.00 31.26 C ATOM 1148 NZ LYS A 77 28.903 12.362 5.424 1.00 32.39 N ATOM 1149 HA LYS A 77 23.699 12.678 5.249 1.00 0.00 H ATOM 1150 HB2 LYS A 77 24.876 11.394 7.053 1.00 0.00 H ATOM 1151 HB3 LYS A 77 24.661 9.903 6.106 1.00 0.00 H ATOM 1152 HG2 LYS A 77 26.073 10.848 4.326 1.00 0.00 H ATOM 1153 HG3 LYS A 77 26.312 12.312 5.308 1.00 0.00 H ATOM 1154 HD2 LYS A 77 27.308 10.908 7.101 1.00 0.00 H ATOM 1155 HD3 LYS A 77 27.138 9.484 6.048 1.00 0.00 H ATOM 1156 HE2 LYS A 77 28.584 10.558 4.368 1.00 0.00 H ATOM 1157 HE3 LYS A 77 29.411 10.373 5.933 1.00 0.00 H ATOM 1158 HZ1 LYS A 77 28.151 12.869 4.915 1.00 0.00 H ATOM 1159 HZ2 LYS A 77 28.941 12.693 6.409 1.00 0.00 H ATOM 1160 HZ3 LYS A 77 29.817 12.540 4.962 1.00 0.00 H ATOM 1161 H LYS A 77 22.497 10.822 7.046 1.00 0.00 H ATOM 1162 N GLY A 78 23.759 11.919 2.958 1.00 22.67 N ATOM 1163 CA GLY A 78 23.723 11.531 1.562 1.00 21.27 C ATOM 1164 C GLY A 78 24.806 12.341 0.883 1.00 20.24 C ATOM 1165 O GLY A 78 25.822 12.642 1.506 1.00 20.03 O ATOM 1166 HA3 GLY A 78 22.749 11.759 1.129 1.00 0.00 H ATOM 1167 HA2 GLY A 78 23.924 10.465 1.458 1.00 0.00 H ATOM 1168 H GLY A 78 24.011 12.897 3.207 1.00 0.00 H ATOM 1169 N THR A 79 24.607 12.693 -0.382 1.00 19.31 N ATOM 1170 CA THR A 79 25.588 13.515 -1.085 1.00 19.04 C ATOM 1171 C THR A 79 25.449 14.941 -0.541 1.00 19.19 C ATOM 1172 O THR A 79 24.484 15.253 0.166 1.00 18.09 O ATOM 1173 CB THR A 79 25.321 13.551 -2.604 1.00 18.88 C ATOM 1174 OG1 THR A 79 24.054 14.177 -2.851 1.00 18.78 O ATOM 1175 CG2 THR A 79 25.303 12.144 -3.184 1.00 18.81 C ATOM 1176 HA THR A 79 26.583 13.099 -0.927 1.00 0.00 H ATOM 1177 HB THR A 79 26.120 14.117 -3.082 1.00 0.00 H ATOM 1178 HG1 THR A 79 23.339 13.661 -2.401 1.00 0.00 H ATOM 1179 HG23 THR A 79 26.264 11.664 -2.999 1.00 0.00 H ATOM 1180 HG21 THR A 79 24.509 11.567 -2.709 1.00 0.00 H ATOM 1181 HG22 THR A 79 25.123 12.197 -4.258 1.00 0.00 H ATOM 1182 H THR A 79 23.746 12.381 -0.875 1.00 0.00 H ATOM 1183 N SER A 80 26.410 15.801 -0.868 1.00 18.86 N ATOM 1184 CA SER A 80 26.371 17.181 -0.409 1.00 19.19 C ATOM 1185 C SER A 80 25.069 17.831 -0.860 1.00 18.44 C ATOM 1186 O SER A 80 24.396 18.504 -0.079 1.00 18.40 O ATOM 1187 CB SER A 80 27.562 17.960 -0.975 1.00 20.28 C ATOM 1188 OG SER A 80 27.582 19.279 -0.459 1.00 23.97 O ATOM 1189 HA SER A 80 26.427 17.196 0.679 1.00 0.00 H ATOM 1190 HB2 SER A 80 27.481 18.001 -2.061 1.00 0.00 H ATOM 1191 HB3 SER A 80 28.487 17.453 -0.700 1.00 0.00 H ATOM 1192 HG SER A 80 28.357 19.767 -0.835 1.00 0.00 H ATOM 1193 H SER A 80 27.202 15.482 -1.461 1.00 0.00 H ATOM 1194 N CYS A 81 24.716 17.626 -2.124 1.00 17.98 N ATOM 1195 CA CYS A 81 23.491 18.197 -2.670 1.00 17.78 C ATOM 1196 C CYS A 81 22.258 17.671 -1.958 1.00 17.61 C ATOM 1197 O CYS A 81 21.364 18.441 -1.595 1.00 17.67 O ATOM 1198 CB CYS A 81 23.371 17.892 -4.159 1.00 17.95 C ATOM 1199 SG CYS A 81 24.272 19.047 -5.244 1.00 18.05 S ATOM 1200 HA CYS A 81 23.549 19.275 -2.517 1.00 0.00 H ATOM 1201 HB2 CYS A 81 22.316 17.924 -4.429 1.00 0.00 H ATOM 1202 HB3 CYS A 81 23.759 16.888 -4.333 1.00 0.00 H ATOM 1203 H CYS A 81 25.326 17.047 -2.736 1.00 0.00 H ATOM 1204 N GLU A 82 22.208 16.359 -1.765 1.00 17.02 N ATOM 1205 CA GLU A 82 21.071 15.753 -1.091 1.00 17.13 C ATOM 1206 C GLU A 82 20.886 16.324 0.312 1.00 17.63 C ATOM 1207 O GLU A 82 19.754 16.605 0.729 1.00 17.47 O ATOM 1208 CB GLU A 82 21.247 14.235 -1.065 1.00 17.49 C ATOM 1209 CG GLU A 82 20.929 13.624 -2.428 1.00 16.92 C ATOM 1210 CD GLU A 82 21.516 12.249 -2.637 1.00 17.34 C ATOM 1211 OE1 GLU A 82 22.111 11.697 -1.691 1.00 17.03 O ATOM 1212 OE2 GLU A 82 21.374 11.727 -3.768 1.00 17.74 O ATOM 1213 HA GLU A 82 20.162 15.990 -1.645 1.00 0.00 H ATOM 1214 HB2 GLU A 82 22.278 14.000 -0.800 1.00 0.00 H ATOM 1215 HB3 GLU A 82 20.576 13.811 -0.318 1.00 0.00 H ATOM 1216 HG2 GLU A 82 19.846 13.553 -2.528 1.00 0.00 H ATOM 1217 HG3 GLU A 82 21.321 14.285 -3.200 1.00 0.00 H ATOM 1218 H GLU A 82 22.989 15.759 -2.099 1.00 0.00 H ATOM 1219 N ASN A 83 21.988 16.513 1.034 1.00 17.83 N ATOM 1220 CA ASN A 83 21.904 17.062 2.388 1.00 18.37 C ATOM 1221 C ASN A 83 21.356 18.486 2.376 1.00 18.35 C ATOM 1222 O ASN A 83 20.488 18.837 3.174 1.00 17.80 O ATOM 1223 CB ASN A 83 23.278 17.072 3.072 1.00 19.77 C ATOM 1224 CG ASN A 83 23.866 15.681 3.241 1.00 21.09 C ATOM 1225 OD1 ASN A 83 23.141 14.690 3.313 1.00 21.98 O ATOM 1226 ND2 ASN A 83 25.192 15.607 3.328 1.00 22.00 N ATOM 1227 HA ASN A 83 21.225 16.416 2.945 1.00 0.00 H ATOM 1228 HB2 ASN A 83 23.963 17.668 2.469 1.00 0.00 H ATOM 1229 HB3 ASN A 83 23.173 17.527 4.057 1.00 0.00 H ATOM 1230 HD22 ASN A 83 25.767 16.471 3.262 1.00 0.00 H ATOM 1231 HD21 ASN A 83 25.654 14.685 3.462 1.00 0.00 H ATOM 1232 H ASN A 83 22.916 16.269 0.633 1.00 0.00 H ATOM 1233 N ARG A 84 21.864 19.306 1.463 1.00 18.29 N ATOM 1234 CA ARG A 84 21.435 20.692 1.366 1.00 18.45 C ATOM 1235 C ARG A 84 20.006 20.850 0.853 1.00 17.89 C ATOM 1236 O ARG A 84 19.284 21.748 1.284 1.00 17.77 O ATOM 1237 CB ARG A 84 22.426 21.463 0.492 1.00 20.05 C ATOM 1238 CG ARG A 84 23.811 21.551 1.138 1.00 22.98 C ATOM 1239 CD ARG A 84 24.931 21.378 0.120 1.00 26.60 C ATOM 1240 NE ARG A 84 25.075 22.525 -0.766 1.00 30.08 N ATOM 1241 CZ ARG A 84 25.807 22.521 -1.879 1.00 30.57 C ATOM 1242 NH1 ARG A 84 26.459 21.423 -2.248 1.00 32.28 N ATOM 1243 NH2 ARG A 84 25.892 23.615 -2.620 1.00 31.63 N ATOM 1244 HA ARG A 84 21.427 21.107 2.374 1.00 0.00 H ATOM 1245 HB2 ARG A 84 22.517 20.956 -0.469 1.00 0.00 H ATOM 1246 HB3 ARG A 84 22.046 22.472 0.335 1.00 0.00 H ATOM 1247 HG2 ARG A 84 23.916 22.526 1.614 1.00 0.00 H ATOM 1248 HG3 ARG A 84 23.898 20.769 1.892 1.00 0.00 H ATOM 1249 HD2 ARG A 84 24.719 20.496 -0.484 1.00 0.00 H ATOM 1250 HD3 ARG A 84 25.869 21.232 0.656 1.00 0.00 H ATOM 1251 HE ARG A 84 24.575 23.402 -0.514 1.00 0.00 H ATOM 1252 HH12 ARG A 84 27.029 21.424 -3.118 1.00 0.00 H ATOM 1253 HH11 ARG A 84 26.399 20.563 -1.667 1.00 0.00 H ATOM 1254 HH22 ARG A 84 26.464 23.611 -3.489 1.00 0.00 H ATOM 1255 HH21 ARG A 84 25.387 24.478 -2.333 1.00 0.00 H ATOM 1256 H ARG A 84 22.584 18.949 0.803 1.00 0.00 H ATOM 1257 N ILE A 85 19.594 19.986 -0.067 1.00 16.90 N ATOM 1258 CA ILE A 85 18.232 20.043 -0.584 1.00 16.41 C ATOM 1259 C ILE A 85 17.280 19.680 0.553 1.00 16.17 C ATOM 1260 O ILE A 85 16.264 20.339 0.759 1.00 16.52 O ATOM 1261 CB ILE A 85 18.026 19.045 -1.741 1.00 16.68 C ATOM 1262 CG1 ILE A 85 18.816 19.502 -2.968 1.00 16.49 C ATOM 1263 CG2 ILE A 85 16.529 18.923 -2.065 1.00 17.66 C ATOM 1264 CD1 ILE A 85 18.975 18.411 -4.026 1.00 17.17 C ATOM 1265 HA ILE A 85 18.040 21.047 -0.963 1.00 0.00 H ATOM 1266 HB ILE A 85 18.393 18.063 -1.443 1.00 0.00 H ATOM 1267 HG12 ILE A 85 18.297 20.348 -3.418 1.00 0.00 H ATOM 1268 HG13 ILE A 85 19.808 19.817 -2.644 1.00 0.00 H ATOM 1269 HD11 ILE A 85 19.503 17.561 -3.593 1.00 0.00 H ATOM 1270 HD12 ILE A 85 17.990 18.093 -4.369 1.00 0.00 H ATOM 1271 HD13 ILE A 85 19.545 18.804 -4.868 1.00 0.00 H ATOM 1272 HG21 ILE A 85 15.996 18.568 -1.183 1.00 0.00 H ATOM 1273 HG22 ILE A 85 16.141 19.899 -2.357 1.00 0.00 H ATOM 1274 HG23 ILE A 85 16.392 18.216 -2.883 1.00 0.00 H ATOM 1275 H ILE A 85 20.250 19.261 -0.423 1.00 0.00 H ATOM 1276 N CYS A 86 17.620 18.642 1.305 1.00 15.96 N ATOM 1277 CA CYS A 86 16.774 18.219 2.412 1.00 16.13 C ATOM 1278 C CYS A 86 16.591 19.346 3.437 1.00 16.55 C ATOM 1279 O CYS A 86 15.479 19.568 3.933 1.00 16.59 O ATOM 1280 CB CYS A 86 17.374 16.983 3.086 1.00 16.78 C ATOM 1281 SG CYS A 86 16.365 16.297 4.437 1.00 18.34 S ATOM 1282 HA CYS A 86 15.792 17.969 2.011 1.00 0.00 H ATOM 1283 HB2 CYS A 86 18.348 17.255 3.492 1.00 0.00 H ATOM 1284 HB3 CYS A 86 17.501 16.209 2.329 1.00 0.00 H ATOM 1285 H CYS A 86 18.499 18.125 1.102 1.00 0.00 H ATOM 1286 N GLU A 87 17.668 20.063 3.752 1.00 16.04 N ATOM 1287 CA GLU A 87 17.559 21.151 4.721 1.00 16.72 C ATOM 1288 C GLU A 87 16.661 22.267 4.203 1.00 16.39 C ATOM 1289 O GLU A 87 15.953 22.909 4.982 1.00 15.77 O ATOM 1290 CB GLU A 87 18.935 21.726 5.068 1.00 18.07 C ATOM 1291 CG GLU A 87 19.815 20.810 5.922 1.00 21.07 C ATOM 1292 CD GLU A 87 19.195 20.456 7.262 1.00 22.35 C ATOM 1293 OE1 GLU A 87 18.409 21.267 7.800 1.00 23.63 O ATOM 1294 OE2 GLU A 87 19.514 19.369 7.790 1.00 23.62 O ATOM 1295 HA GLU A 87 17.114 20.729 5.622 1.00 0.00 H ATOM 1296 HB2 GLU A 87 19.462 21.931 4.136 1.00 0.00 H ATOM 1297 HB3 GLU A 87 18.786 22.658 5.613 1.00 0.00 H ATOM 1298 HG2 GLU A 87 19.993 19.888 5.369 1.00 0.00 H ATOM 1299 HG3 GLU A 87 20.765 21.313 6.103 1.00 0.00 H ATOM 1300 H GLU A 87 18.584 19.849 3.309 1.00 0.00 H ATOM 1301 N CYS A 88 16.709 22.523 2.897 1.00 16.03 N ATOM 1302 CA CYS A 88 15.858 23.553 2.313 1.00 15.88 C ATOM 1303 C CYS A 88 14.394 23.143 2.419 1.00 16.24 C ATOM 1304 O CYS A 88 13.526 23.967 2.722 1.00 15.79 O ATOM 1305 CB CYS A 88 16.172 23.760 0.837 1.00 16.17 C ATOM 1306 SG CYS A 88 17.710 24.650 0.467 1.00 16.38 S ATOM 1307 HA CYS A 88 16.046 24.476 2.862 1.00 0.00 H ATOM 1308 HB2 CYS A 88 15.348 24.321 0.396 1.00 0.00 H ATOM 1309 HB3 CYS A 88 16.234 22.778 0.368 1.00 0.00 H ATOM 1310 H CYS A 88 17.358 21.984 2.289 1.00 0.00 H ATOM 1311 N ASP A 89 14.127 21.870 2.146 1.00 15.87 N ATOM 1312 CA ASP A 89 12.762 21.350 2.192 1.00 16.14 C ATOM 1313 C ASP A 89 12.238 21.306 3.621 1.00 16.73 C ATOM 1314 O ASP A 89 11.094 21.690 3.878 1.00 17.19 O ATOM 1315 CB ASP A 89 12.699 19.955 1.552 1.00 16.60 C ATOM 1316 CG ASP A 89 12.830 20.002 0.039 1.00 17.13 C ATOM 1317 OD1 ASP A 89 12.940 21.114 -0.517 1.00 16.72 O ATOM 1318 OD2 ASP A 89 12.820 18.925 -0.601 1.00 17.07 O ATOM 1319 HA ASP A 89 12.124 22.026 1.622 1.00 0.00 H ATOM 1320 HB2 ASP A 89 13.510 19.348 1.955 1.00 0.00 H ATOM 1321 HB3 ASP A 89 11.743 19.496 1.806 1.00 0.00 H ATOM 1322 H ASP A 89 14.907 21.230 1.894 1.00 0.00 H ATOM 1323 N LYS A 90 13.080 20.855 4.548 1.00 17.04 N ATOM 1324 CA LYS A 90 12.696 20.776 5.956 1.00 16.78 C ATOM 1325 C LYS A 90 12.244 22.146 6.456 1.00 17.18 C ATOM 1326 O LYS A 90 11.215 22.270 7.136 1.00 16.42 O ATOM 1327 CB LYS A 90 13.882 20.291 6.797 1.00 17.96 C ATOM 1328 CG LYS A 90 13.650 20.365 8.296 1.00 18.96 C ATOM 1329 CD LYS A 90 14.885 19.925 9.072 1.00 19.91 C ATOM 1330 CE LYS A 90 14.640 19.998 10.569 1.00 21.61 C ATOM 1331 NZ LYS A 90 15.815 19.550 11.366 1.00 22.54 N ATOM 1332 HA LYS A 90 11.872 20.069 6.053 1.00 0.00 H ATOM 1333 HB2 LYS A 90 14.088 19.254 6.533 1.00 0.00 H ATOM 1334 HB3 LYS A 90 14.749 20.906 6.554 1.00 0.00 H ATOM 1335 HG2 LYS A 90 13.408 21.392 8.567 1.00 0.00 H ATOM 1336 HG3 LYS A 90 12.816 19.715 8.559 1.00 0.00 H ATOM 1337 HD2 LYS A 90 15.131 18.898 8.800 1.00 0.00 H ATOM 1338 HD3 LYS A 90 15.720 20.577 8.815 1.00 0.00 H ATOM 1339 HE2 LYS A 90 13.789 19.363 10.815 1.00 0.00 H ATOM 1340 HE3 LYS A 90 14.411 21.030 10.835 1.00 0.00 H ATOM 1341 HZ1 LYS A 90 16.038 18.563 11.127 1.00 0.00 H ATOM 1342 HZ2 LYS A 90 16.632 20.155 11.146 1.00 0.00 H ATOM 1343 HZ3 LYS A 90 15.592 19.621 12.379 1.00 0.00 H ATOM 1344 H LYS A 90 14.033 20.552 4.264 1.00 0.00 H ATOM 1345 N ALA A 91 13.016 23.174 6.114 1.00 16.46 N ATOM 1346 CA ALA A 91 12.696 24.537 6.527 1.00 17.04 C ATOM 1347 C ALA A 91 11.356 24.984 5.960 1.00 16.92 C ATOM 1348 O ALA A 91 10.559 25.606 6.657 1.00 17.59 O ATOM 1349 CB ALA A 91 13.790 25.495 6.077 1.00 16.96 C ATOM 1350 HA ALA A 91 12.630 24.549 7.615 1.00 0.00 H ATOM 1351 HB1 ALA A 91 14.738 25.199 6.527 1.00 0.00 H ATOM 1352 HB2 ALA A 91 13.876 25.462 4.991 1.00 0.00 H ATOM 1353 HB3 ALA A 91 13.537 26.507 6.392 1.00 0.00 H ATOM 1354 H ALA A 91 13.866 23.003 5.540 1.00 0.00 H ATOM 1355 N ALA A 92 11.106 24.674 4.695 1.00 16.61 N ATOM 1356 CA ALA A 92 9.852 25.068 4.072 1.00 16.88 C ATOM 1357 C ALA A 92 8.659 24.383 4.744 1.00 16.99 C ATOM 1358 O ALA A 92 7.641 25.023 5.000 1.00 17.47 O ATOM 1359 CB ALA A 92 9.872 24.734 2.592 1.00 16.49 C ATOM 1360 HA ALA A 92 9.742 26.145 4.196 1.00 0.00 H ATOM 1361 HB1 ALA A 92 10.692 25.268 2.111 1.00 0.00 H ATOM 1362 HB2 ALA A 92 10.011 23.660 2.465 1.00 0.00 H ATOM 1363 HB3 ALA A 92 8.927 25.035 2.140 1.00 0.00 H ATOM 1364 H ALA A 92 11.812 24.145 4.144 1.00 0.00 H ATOM 1365 N ALA A 93 8.793 23.089 5.030 1.00 16.76 N ATOM 1366 CA ALA A 93 7.714 22.330 5.664 1.00 17.57 C ATOM 1367 C ALA A 93 7.352 22.920 7.017 1.00 18.08 C ATOM 1368 O ALA A 93 6.173 23.073 7.341 1.00 18.19 O ATOM 1369 CB ALA A 93 8.112 20.867 5.825 1.00 17.48 C ATOM 1370 HA ALA A 93 6.839 22.391 5.016 1.00 0.00 H ATOM 1371 HB1 ALA A 93 8.318 20.438 4.844 1.00 0.00 H ATOM 1372 HB2 ALA A 93 9.005 20.801 6.447 1.00 0.00 H ATOM 1373 HB3 ALA A 93 7.297 20.320 6.298 1.00 0.00 H ATOM 1374 H ALA A 93 9.685 22.607 4.797 1.00 0.00 H ATOM 1375 N ILE A 94 8.374 23.241 7.802 1.00 18.05 N ATOM 1376 CA ILE A 94 8.187 23.833 9.122 1.00 18.88 C ATOM 1377 C ILE A 94 7.547 25.210 8.965 1.00 18.78 C ATOM 1378 O ILE A 94 6.623 25.568 9.695 1.00 19.35 O ATOM 1379 CB ILE A 94 9.545 23.963 9.849 1.00 19.67 C ATOM 1380 CG1 ILE A 94 10.005 22.576 10.313 1.00 20.41 C ATOM 1381 CG2 ILE A 94 9.443 24.948 11.009 1.00 19.87 C ATOM 1382 CD1 ILE A 94 11.435 22.539 10.824 1.00 21.84 C ATOM 1383 HA ILE A 94 7.537 23.191 9.717 1.00 0.00 H ATOM 1384 HB ILE A 94 10.292 24.360 9.162 1.00 0.00 H ATOM 1385 HG12 ILE A 94 9.345 22.246 11.115 1.00 0.00 H ATOM 1386 HG13 ILE A 94 9.923 21.888 9.471 1.00 0.00 H ATOM 1387 HD11 ILE A 94 12.112 22.854 10.030 1.00 0.00 H ATOM 1388 HD12 ILE A 94 11.533 23.213 11.675 1.00 0.00 H ATOM 1389 HD13 ILE A 94 11.683 21.523 11.133 1.00 0.00 H ATOM 1390 HG21 ILE A 94 9.151 25.927 10.628 1.00 0.00 H ATOM 1391 HG22 ILE A 94 8.695 24.595 11.719 1.00 0.00 H ATOM 1392 HG23 ILE A 94 10.410 25.024 11.506 1.00 0.00 H ATOM 1393 H ILE A 94 9.341 23.064 7.464 1.00 0.00 H ATOM 1394 N CYS A 95 8.037 25.978 8.002 1.00 18.83 N ATOM 1395 CA CYS A 95 7.492 27.303 7.760 1.00 18.35 C ATOM 1396 C CYS A 95 6.000 27.203 7.410 1.00 18.64 C ATOM 1397 O CYS A 95 5.192 27.999 7.892 1.00 17.68 O ATOM 1398 CB CYS A 95 8.269 27.973 6.636 1.00 18.54 C ATOM 1399 SG CYS A 95 7.921 29.734 6.364 1.00 17.83 S ATOM 1400 HA CYS A 95 7.589 27.908 8.662 1.00 0.00 H ATOM 1401 HB2 CYS A 95 8.043 27.442 5.712 1.00 0.00 H ATOM 1402 HB3 CYS A 95 9.331 27.874 6.860 1.00 0.00 H ATOM 1403 H CYS A 95 8.820 25.628 7.413 1.00 0.00 H ATOM 1404 N PHE A 96 5.633 26.232 6.574 1.00 18.83 N ATOM 1405 CA PHE A 96 4.229 26.056 6.208 1.00 19.46 C ATOM 1406 C PHE A 96 3.402 25.747 7.460 1.00 20.44 C ATOM 1407 O PHE A 96 2.311 26.286 7.649 1.00 20.72 O ATOM 1408 CB PHE A 96 4.056 24.907 5.205 1.00 19.52 C ATOM 1409 CG PHE A 96 4.590 25.202 3.832 1.00 19.50 C ATOM 1410 CD1 PHE A 96 4.497 26.478 3.290 1.00 19.83 C ATOM 1411 CD2 PHE A 96 5.136 24.182 3.057 1.00 20.25 C ATOM 1412 CE1 PHE A 96 4.941 26.737 1.993 1.00 20.20 C ATOM 1413 CE2 PHE A 96 5.581 24.428 1.763 1.00 20.60 C ATOM 1414 CZ PHE A 96 5.481 25.707 1.230 1.00 20.27 C ATOM 1415 HA PHE A 96 3.885 26.982 5.746 1.00 0.00 H ATOM 1416 HB2 PHE A 96 4.577 24.032 5.594 1.00 0.00 H ATOM 1417 HB3 PHE A 96 2.992 24.686 5.118 1.00 0.00 H ATOM 1418 HD2 PHE A 96 5.216 23.177 3.471 1.00 0.00 H ATOM 1419 HE2 PHE A 96 6.007 23.620 1.169 1.00 0.00 H ATOM 1420 HZ PHE A 96 5.825 25.903 0.215 1.00 0.00 H ATOM 1421 HE1 PHE A 96 4.865 27.743 1.579 1.00 0.00 H ATOM 1422 HD1 PHE A 96 4.072 27.286 3.885 1.00 0.00 H ATOM 1423 H PHE A 96 6.352 25.594 6.178 1.00 0.00 H ATOM 1424 N ARG A 97 3.935 24.871 8.305 1.00 21.31 N ATOM 1425 CA ARG A 97 3.276 24.470 9.546 1.00 22.75 C ATOM 1426 C ARG A 97 3.065 25.655 10.487 1.00 23.18 C ATOM 1427 O ARG A 97 2.003 25.796 11.093 1.00 23.29 O ATOM 1428 CB ARG A 97 4.127 23.408 10.254 1.00 24.23 C ATOM 1429 CG ARG A 97 3.574 22.901 11.578 1.00 26.92 C ATOM 1430 CD ARG A 97 2.314 22.089 11.369 1.00 29.32 C ATOM 1431 NE ARG A 97 1.134 22.816 11.810 1.00 32.35 N ATOM 1432 CZ ARG A 97 0.765 22.939 13.080 1.00 33.16 C ATOM 1433 NH1 ARG A 97 1.480 22.371 14.040 1.00 34.47 N ATOM 1434 NH2 ARG A 97 -0.308 23.650 13.388 1.00 34.09 N ATOM 1435 HA ARG A 97 2.297 24.066 9.289 1.00 0.00 H ATOM 1436 HB2 ARG A 97 4.227 22.555 9.583 1.00 0.00 H ATOM 1437 HB3 ARG A 97 5.111 23.837 10.443 1.00 0.00 H ATOM 1438 HG2 ARG A 97 4.325 22.275 12.061 1.00 0.00 H ATOM 1439 HG3 ARG A 97 3.346 23.753 12.218 1.00 0.00 H ATOM 1440 HD2 ARG A 97 2.392 21.161 11.936 1.00 0.00 H ATOM 1441 HD3 ARG A 97 2.213 21.858 10.309 1.00 0.00 H ATOM 1442 HE ARG A 97 0.541 23.268 11.085 1.00 0.00 H ATOM 1443 HH12 ARG A 97 1.188 22.469 15.033 1.00 0.00 H ATOM 1444 HH11 ARG A 97 2.333 21.827 13.800 1.00 0.00 H ATOM 1445 HH22 ARG A 97 -0.599 23.748 14.382 1.00 0.00 H ATOM 1446 HH21 ARG A 97 -0.860 24.111 12.636 1.00 0.00 H ATOM 1447 H ARG A 97 4.859 24.454 8.074 1.00 0.00 H ATOM 1448 N GLN A 98 4.080 26.504 10.605 1.00 23.56 N ATOM 1449 CA GLN A 98 4.007 27.650 11.496 1.00 24.46 C ATOM 1450 C GLN A 98 3.013 28.701 11.021 1.00 24.44 C ATOM 1451 O GLN A 98 2.516 29.502 11.817 1.00 24.66 O ATOM 1452 CB GLN A 98 5.398 28.281 11.654 1.00 25.84 C ATOM 1453 CG GLN A 98 5.514 29.238 12.833 1.00 28.37 C ATOM 1454 CD GLN A 98 6.957 29.574 13.189 1.00 29.31 C ATOM 1455 OE1 GLN A 98 7.225 30.164 14.235 1.00 30.97 O ATOM 1456 NE2 GLN A 98 7.889 29.199 12.323 1.00 29.59 N ATOM 1457 HA GLN A 98 3.652 27.284 12.459 1.00 0.00 H ATOM 1458 HB2 GLN A 98 6.125 27.480 11.790 1.00 0.00 H ATOM 1459 HB3 GLN A 98 5.631 28.831 10.742 1.00 0.00 H ATOM 1460 HG2 GLN A 98 4.994 30.162 12.583 1.00 0.00 H ATOM 1461 HG3 GLN A 98 5.040 28.779 13.701 1.00 0.00 H ATOM 1462 HE22 GLN A 98 7.618 28.702 11.450 1.00 0.00 H ATOM 1463 HE21 GLN A 98 8.890 29.402 12.517 1.00 0.00 H ATOM 1464 H GLN A 98 4.944 26.345 10.049 1.00 0.00 H ATOM 1465 N ASN A 99 2.700 28.684 9.731 1.00 23.92 N ATOM 1466 CA ASN A 99 1.785 29.668 9.172 1.00 24.43 C ATOM 1467 C ASN A 99 0.459 29.140 8.648 1.00 24.95 C ATOM 1468 O ASN A 99 -0.213 29.818 7.873 1.00 24.59 O ATOM 1469 CB ASN A 99 2.500 30.442 8.069 1.00 23.76 C ATOM 1470 CG ASN A 99 3.614 31.303 8.610 1.00 24.02 C ATOM 1471 OD1 ASN A 99 3.370 32.250 9.354 1.00 23.26 O ATOM 1472 ND2 ASN A 99 4.849 30.973 8.252 1.00 23.71 N ATOM 1473 HA ASN A 99 1.508 30.303 10.013 1.00 0.00 H ATOM 1474 HB2 ASN A 99 2.919 29.732 7.356 1.00 0.00 H ATOM 1475 HB3 ASN A 99 1.777 31.080 7.562 1.00 0.00 H ATOM 1476 HD22 ASN A 99 5.008 30.163 7.620 1.00 0.00 H ATOM 1477 HD21 ASN A 99 5.657 31.525 8.604 1.00 0.00 H ATOM 1478 H ASN A 99 3.114 27.958 9.112 1.00 0.00 H ATOM 1479 N LEU A 100 0.072 27.943 9.071 1.00 26.16 N ATOM 1480 CA LEU A 100 -1.193 27.372 8.619 1.00 28.17 C ATOM 1481 C LEU A 100 -2.394 28.234 8.993 1.00 28.89 C ATOM 1482 O LEU A 100 -3.393 28.253 8.275 1.00 29.53 O ATOM 1483 CB LEU A 100 -1.393 25.971 9.199 1.00 28.56 C ATOM 1484 CG LEU A 100 -0.964 24.786 8.335 1.00 29.58 C ATOM 1485 CD1 LEU A 100 -1.267 23.490 9.068 1.00 29.49 C ATOM 1486 CD2 LEU A 100 -1.704 24.827 7.009 1.00 29.71 C ATOM 1487 HA LEU A 100 -1.133 27.325 7.532 1.00 0.00 H ATOM 1488 HB2 LEU A 100 -0.829 25.918 10.130 1.00 0.00 H ATOM 1489 HB3 LEU A 100 -2.455 25.853 9.412 1.00 0.00 H ATOM 1490 HG LEU A 100 0.107 24.842 8.141 1.00 0.00 H ATOM 1491 HD21 LEU A 100 -2.777 24.773 7.192 1.00 0.00 H ATOM 1492 HD22 LEU A 100 -1.469 25.757 6.492 1.00 0.00 H ATOM 1493 HD23 LEU A 100 -1.395 23.980 6.396 1.00 0.00 H ATOM 1494 HD11 LEU A 100 -0.720 23.471 10.011 1.00 0.00 H ATOM 1495 HD12 LEU A 100 -2.337 23.428 9.266 1.00 0.00 H ATOM 1496 HD13 LEU A 100 -0.961 22.645 8.451 1.00 0.00 H ATOM 1497 H LEU A 100 0.674 27.408 9.729 1.00 0.00 H ATOM 1498 N ASN A 101 -2.293 28.946 10.111 1.00 29.65 N ATOM 1499 CA ASN A 101 -3.389 29.790 10.579 1.00 30.45 C ATOM 1500 C ASN A 101 -3.723 30.974 9.679 1.00 30.35 C ATOM 1501 O ASN A 101 -4.790 31.572 9.815 1.00 31.17 O ATOM 1502 CB ASN A 101 -3.112 30.302 11.999 1.00 31.59 C ATOM 1503 CG ASN A 101 -1.803 31.071 12.111 1.00 33.25 C ATOM 1504 OD1 ASN A 101 -1.509 31.657 13.156 1.00 34.23 O ATOM 1505 ND2 ASN A 101 -1.007 31.066 11.045 1.00 33.91 N ATOM 1506 HA ASN A 101 -4.262 29.137 10.561 1.00 0.00 H ATOM 1507 HB2 ASN A 101 -3.928 30.960 12.296 1.00 0.00 H ATOM 1508 HB3 ASN A 101 -3.072 29.448 12.675 1.00 0.00 H ATOM 1509 HD22 ASN A 101 -1.294 30.559 10.184 1.00 0.00 H ATOM 1510 HD21 ASN A 101 -0.097 31.569 11.073 1.00 0.00 H ATOM 1511 H ASN A 101 -1.414 28.901 10.665 1.00 0.00 H ATOM 1512 N THR A 102 -2.825 31.326 8.766 1.00 29.54 N ATOM 1513 CA THR A 102 -3.095 32.449 7.880 1.00 28.98 C ATOM 1514 C THR A 102 -3.228 32.027 6.422 1.00 28.80 C ATOM 1515 O THR A 102 -3.380 32.867 5.538 1.00 28.15 O ATOM 1516 CB THR A 102 -2.015 33.547 8.006 1.00 28.94 C ATOM 1517 OG1 THR A 102 -0.722 32.994 7.740 1.00 28.64 O ATOM 1518 CG2 THR A 102 -2.034 34.144 9.409 1.00 29.12 C ATOM 1519 HA THR A 102 -4.054 32.856 8.201 1.00 0.00 H ATOM 1520 HB THR A 102 -2.229 34.332 7.280 1.00 0.00 H ATOM 1521 HG1 THR A 102 -0.705 32.624 6.822 1.00 0.00 H ATOM 1522 HG23 THR A 102 -3.019 34.565 9.610 1.00 0.00 H ATOM 1523 HG21 THR A 102 -1.815 33.363 10.138 1.00 0.00 H ATOM 1524 HG22 THR A 102 -1.281 34.929 9.479 1.00 0.00 H ATOM 1525 H THR A 102 -1.931 30.801 8.684 1.00 0.00 H ATOM 1526 N TYR A 103 -3.168 30.723 6.174 1.00 28.79 N ATOM 1527 CA TYR A 103 -3.312 30.207 4.819 1.00 29.57 C ATOM 1528 C TYR A 103 -4.687 30.653 4.323 1.00 30.06 C ATOM 1529 O TYR A 103 -5.677 30.523 5.045 1.00 30.21 O ATOM 1530 CB TYR A 103 -3.207 28.678 4.831 1.00 29.27 C ATOM 1531 CG TYR A 103 -3.347 28.039 3.468 1.00 29.19 C ATOM 1532 CD1 TYR A 103 -4.597 27.895 2.870 1.00 29.41 C ATOM 1533 CD2 TYR A 103 -2.226 27.596 2.768 1.00 29.30 C ATOM 1534 CE1 TYR A 103 -4.730 27.327 1.607 1.00 29.29 C ATOM 1535 CE2 TYR A 103 -2.345 27.029 1.504 1.00 29.14 C ATOM 1536 CZ TYR A 103 -3.601 26.897 0.929 1.00 29.34 C ATOM 1537 OH TYR A 103 -3.726 26.338 -0.319 1.00 29.36 O ATOM 1538 HA TYR A 103 -2.528 30.584 4.162 1.00 0.00 H ATOM 1539 HB3 TYR A 103 -3.993 28.286 5.476 1.00 0.00 H ATOM 1540 HB2 TYR A 103 -2.234 28.405 5.239 1.00 0.00 H ATOM 1541 HD2 TYR A 103 -1.239 27.696 3.219 1.00 0.00 H ATOM 1542 HE2 TYR A 103 -1.458 26.691 0.969 1.00 0.00 H ATOM 1543 HE1 TYR A 103 -5.716 27.221 1.154 1.00 0.00 H ATOM 1544 HD1 TYR A 103 -5.487 28.233 3.401 1.00 0.00 H ATOM 1545 HH TYR A 103 -3.216 26.878 -0.974 1.00 0.00 H ATOM 1546 H TYR A 103 -3.016 30.060 6.960 1.00 0.00 H ATOM 1547 N SER A 104 -4.750 31.184 3.105 1.00 30.81 N ATOM 1548 CA SER A 104 -6.013 31.672 2.553 1.00 31.99 C ATOM 1549 C SER A 104 -6.316 31.150 1.149 1.00 32.51 C ATOM 1550 O SER A 104 -5.456 31.169 0.271 1.00 32.04 O ATOM 1551 CB SER A 104 -6.004 33.205 2.542 1.00 32.30 C ATOM 1552 OG SER A 104 -7.158 33.729 1.907 1.00 33.94 O ATOM 1553 HA SER A 104 -6.804 31.290 3.199 1.00 0.00 H ATOM 1554 HB2 SER A 104 -5.119 33.550 2.008 1.00 0.00 H ATOM 1555 HB3 SER A 104 -5.971 33.566 3.570 1.00 0.00 H ATOM 1556 HG SER A 104 -7.966 33.424 2.390 1.00 0.00 H ATOM 1557 H SER A 104 -3.884 31.253 2.534 1.00 0.00 H ATOM 1558 N LYS A 105 -7.550 30.695 0.941 1.00 33.48 N ATOM 1559 CA LYS A 105 -7.961 30.166 -0.356 1.00 34.40 C ATOM 1560 C LYS A 105 -7.998 31.234 -1.443 1.00 34.43 C ATOM 1561 O LYS A 105 -7.989 30.911 -2.629 1.00 34.66 O ATOM 1562 CB LYS A 105 -9.345 29.507 -0.265 1.00 35.51 C ATOM 1563 CG LYS A 105 -9.415 28.305 0.665 1.00 36.98 C ATOM 1564 CD LYS A 105 -10.588 27.393 0.313 1.00 38.15 C ATOM 1565 CE LYS A 105 -11.547 27.205 1.485 1.00 38.81 C ATOM 1566 NZ LYS A 105 -12.558 28.295 1.563 1.00 39.59 N ATOM 1567 HA LYS A 105 -7.209 29.426 -0.630 1.00 0.00 H ATOM 1568 HB2 LYS A 105 -10.055 30.254 0.091 1.00 0.00 H ATOM 1569 HB3 LYS A 105 -9.633 29.181 -1.264 1.00 0.00 H ATOM 1570 HG2 LYS A 105 -8.488 27.738 0.582 1.00 0.00 H ATOM 1571 HG3 LYS A 105 -9.534 28.656 1.690 1.00 0.00 H ATOM 1572 HD2 LYS A 105 -11.135 27.832 -0.521 1.00 0.00 H ATOM 1573 HD3 LYS A 105 -10.199 26.418 0.018 1.00 0.00 H ATOM 1574 HE2 LYS A 105 -10.972 27.192 2.411 1.00 0.00 H ATOM 1575 HE3 LYS A 105 -12.065 26.253 1.366 1.00 0.00 H ATOM 1576 HZ1 LYS A 105 -12.074 29.207 1.684 1.00 0.00 H ATOM 1577 HZ2 LYS A 105 -13.117 28.311 0.686 1.00 0.00 H ATOM 1578 HZ3 LYS A 105 -13.187 28.125 2.374 1.00 0.00 H ATOM 1579 H LYS A 105 -8.237 30.717 1.721 1.00 0.00 H ATOM 1580 N LYS A 106 -8.043 32.501 -1.047 1.00 34.44 N ATOM 1581 CA LYS A 106 -8.092 33.579 -2.028 1.00 34.53 C ATOM 1582 C LYS A 106 -6.768 33.743 -2.765 1.00 34.04 C ATOM 1583 O LYS A 106 -6.685 34.487 -3.741 1.00 34.08 O ATOM 1584 CB LYS A 106 -8.481 34.904 -1.368 1.00 35.25 C ATOM 1585 CG LYS A 106 -7.385 35.557 -0.547 1.00 36.15 C ATOM 1586 CD LYS A 106 -7.834 36.923 -0.053 1.00 37.10 C ATOM 1587 CE LYS A 106 -6.724 37.634 0.702 1.00 37.51 C ATOM 1588 NZ LYS A 106 -7.136 39.006 1.122 1.00 38.26 N ATOM 1589 HA LYS A 106 -8.854 33.304 -2.757 1.00 0.00 H ATOM 1590 HB2 LYS A 106 -8.776 35.600 -2.154 1.00 0.00 H ATOM 1591 HB3 LYS A 106 -9.331 34.718 -0.711 1.00 0.00 H ATOM 1592 HG2 LYS A 106 -7.152 34.924 0.309 1.00 0.00 H ATOM 1593 HG3 LYS A 106 -6.494 35.673 -1.164 1.00 0.00 H ATOM 1594 HD2 LYS A 106 -8.126 37.531 -0.909 1.00 0.00 H ATOM 1595 HD3 LYS A 106 -8.690 36.797 0.610 1.00 0.00 H ATOM 1596 HE2 LYS A 106 -5.849 37.709 0.057 1.00 0.00 H ATOM 1597 HE3 LYS A 106 -6.471 37.053 1.589 1.00 0.00 H ATOM 1598 HZ1 LYS A 106 -7.373 39.568 0.280 1.00 0.00 H ATOM 1599 HZ2 LYS A 106 -7.968 38.942 1.743 1.00 0.00 H ATOM 1600 HZ3 LYS A 106 -6.353 39.460 1.634 1.00 0.00 H ATOM 1601 H LYS A 106 -8.043 32.726 -0.032 1.00 0.00 H ATOM 1602 N TYR A 107 -5.731 33.057 -2.293 1.00 33.21 N ATOM 1603 CA TYR A 107 -4.429 33.130 -2.943 1.00 32.48 C ATOM 1604 C TYR A 107 -4.168 31.911 -3.819 1.00 31.89 C ATOM 1605 O TYR A 107 -3.138 31.825 -4.481 1.00 31.43 O ATOM 1606 CB TYR A 107 -3.314 33.301 -1.906 1.00 32.55 C ATOM 1607 CG TYR A 107 -3.298 34.684 -1.299 1.00 32.69 C ATOM 1608 CD1 TYR A 107 -3.264 35.817 -2.112 1.00 32.75 C ATOM 1609 CD2 TYR A 107 -3.342 34.866 0.082 1.00 33.03 C ATOM 1610 CE1 TYR A 107 -3.277 37.098 -1.567 1.00 33.36 C ATOM 1611 CE2 TYR A 107 -3.354 36.147 0.638 1.00 33.20 C ATOM 1612 CZ TYR A 107 -3.323 37.254 -0.192 1.00 33.19 C ATOM 1613 OH TYR A 107 -3.343 38.518 0.347 1.00 33.90 O ATOM 1614 HA TYR A 107 -4.435 34.005 -3.592 1.00 0.00 H ATOM 1615 HB3 TYR A 107 -2.354 33.120 -2.390 1.00 0.00 H ATOM 1616 HB2 TYR A 107 -3.461 32.571 -1.110 1.00 0.00 H ATOM 1617 HD2 TYR A 107 -3.367 33.996 0.738 1.00 0.00 H ATOM 1618 HE2 TYR A 107 -3.388 36.274 1.720 1.00 0.00 H ATOM 1619 HE1 TYR A 107 -3.251 37.972 -2.218 1.00 0.00 H ATOM 1620 HD1 TYR A 107 -3.227 35.697 -3.195 1.00 0.00 H ATOM 1621 HH TYR A 107 -3.316 39.187 -0.382 1.00 0.00 H ATOM 1622 H TYR A 107 -5.851 32.461 -1.449 1.00 0.00 H ATOM 1623 N MET A 108 -5.110 30.973 -3.826 1.00 31.37 N ATOM 1624 CA MET A 108 -4.984 29.782 -4.659 1.00 31.33 C ATOM 1625 C MET A 108 -5.251 30.218 -6.100 1.00 30.88 C ATOM 1626 O MET A 108 -6.110 31.067 -6.342 1.00 30.95 O ATOM 1627 CB MET A 108 -6.005 28.718 -4.239 1.00 32.30 C ATOM 1628 CG MET A 108 -5.798 28.170 -2.833 1.00 33.77 C ATOM 1629 SD MET A 108 -7.038 26.938 -2.360 1.00 36.53 S ATOM 1630 CE MET A 108 -6.357 25.476 -3.108 1.00 34.82 C ATOM 1631 HA MET A 108 -3.991 29.345 -4.555 1.00 0.00 H ATOM 1632 HB2 MET A 108 -7.000 29.160 -4.290 1.00 0.00 H ATOM 1633 HB3 MET A 108 -5.942 27.887 -4.942 1.00 0.00 H ATOM 1634 HG2 MET A 108 -5.846 28.999 -2.127 1.00 0.00 H ATOM 1635 HG3 MET A 108 -4.812 27.707 -2.782 1.00 0.00 H ATOM 1636 HE1 MET A 108 -6.277 25.624 -4.185 1.00 0.00 H ATOM 1637 HE2 MET A 108 -5.368 25.283 -2.692 1.00 0.00 H ATOM 1638 HE3 MET A 108 -7.010 24.627 -2.904 1.00 0.00 H ATOM 1639 H MET A 108 -5.952 31.090 -3.227 1.00 0.00 H ATOM 1640 N LEU A 109 -4.518 29.641 -7.049 1.00 30.03 N ATOM 1641 CA LEU A 109 -4.669 29.985 -8.464 1.00 29.70 C ATOM 1642 C LEU A 109 -4.518 31.489 -8.676 1.00 29.21 C ATOM 1643 O LEU A 109 -5.185 32.082 -9.526 1.00 29.24 O ATOM 1644 CB LEU A 109 -6.040 29.526 -8.985 1.00 30.01 C ATOM 1645 CG LEU A 109 -6.300 28.017 -8.945 1.00 30.21 C ATOM 1646 CD1 LEU A 109 -7.706 27.710 -9.446 1.00 30.75 C ATOM 1647 CD2 LEU A 109 -5.267 27.308 -9.801 1.00 30.58 C ATOM 1648 HA LEU A 109 -3.884 29.471 -9.020 1.00 0.00 H ATOM 1649 HB2 LEU A 109 -6.807 30.013 -8.383 1.00 0.00 H ATOM 1650 HB3 LEU A 109 -6.131 29.853 -10.021 1.00 0.00 H ATOM 1651 HG LEU A 109 -6.219 27.663 -7.917 1.00 0.00 H ATOM 1652 HD21 LEU A 109 -5.341 27.665 -10.828 1.00 0.00 H ATOM 1653 HD22 LEU A 109 -4.270 27.518 -9.413 1.00 0.00 H ATOM 1654 HD23 LEU A 109 -5.450 26.234 -9.774 1.00 0.00 H ATOM 1655 HD11 LEU A 109 -8.435 28.215 -8.811 1.00 0.00 H ATOM 1656 HD12 LEU A 109 -7.810 28.063 -10.472 1.00 0.00 H ATOM 1657 HD13 LEU A 109 -7.876 26.634 -9.412 1.00 0.00 H ATOM 1658 H LEU A 109 -3.816 28.923 -6.777 1.00 0.00 H ATOM 1659 N TYR A 110 -3.628 32.102 -7.905 1.00 28.45 N ATOM 1660 CA TYR A 110 -3.398 33.539 -7.991 1.00 27.84 C ATOM 1661 C TYR A 110 -2.876 33.946 -9.372 1.00 27.45 C ATOM 1662 O TYR A 110 -1.927 33.358 -9.883 1.00 26.49 O ATOM 1663 CB TYR A 110 -2.406 33.957 -6.907 1.00 27.97 C ATOM 1664 CG TYR A 110 -2.440 35.426 -6.584 1.00 28.36 C ATOM 1665 CD1 TYR A 110 -3.549 35.995 -5.957 1.00 28.66 C ATOM 1666 CD2 TYR A 110 -1.361 36.249 -6.893 1.00 28.80 C ATOM 1667 CE1 TYR A 110 -3.580 37.348 -5.643 1.00 29.04 C ATOM 1668 CE2 TYR A 110 -1.382 37.605 -6.584 1.00 28.99 C ATOM 1669 CZ TYR A 110 -2.494 38.145 -5.960 1.00 29.30 C ATOM 1670 OH TYR A 110 -2.520 39.482 -5.645 1.00 30.38 O ATOM 1671 HA TYR A 110 -4.349 34.049 -7.839 1.00 0.00 H ATOM 1672 HB3 TYR A 110 -1.401 33.702 -7.244 1.00 0.00 H ATOM 1673 HB2 TYR A 110 -2.635 33.400 -5.998 1.00 0.00 H ATOM 1674 HD2 TYR A 110 -0.486 35.824 -7.385 1.00 0.00 H ATOM 1675 HE2 TYR A 110 -0.530 38.238 -6.831 1.00 0.00 H ATOM 1676 HE1 TYR A 110 -4.452 37.778 -5.151 1.00 0.00 H ATOM 1677 HD1 TYR A 110 -4.405 35.368 -5.709 1.00 0.00 H ATOM 1678 HH TYR A 110 -3.381 39.700 -5.207 1.00 0.00 H ATOM 1679 H TYR A 110 -3.080 31.542 -7.221 1.00 0.00 H ATOM 1680 N PRO A 111 -3.493 34.971 -9.989 1.00 27.57 N ATOM 1681 CA PRO A 111 -3.118 35.478 -11.315 1.00 27.74 C ATOM 1682 C PRO A 111 -1.715 36.065 -11.371 1.00 27.92 C ATOM 1683 O PRO A 111 -1.294 36.774 -10.463 1.00 27.96 O ATOM 1684 CB PRO A 111 -4.177 36.549 -11.596 1.00 27.82 C ATOM 1685 CG PRO A 111 -5.322 36.160 -10.724 1.00 28.10 C ATOM 1686 CD PRO A 111 -4.643 35.721 -9.460 1.00 27.85 C ATOM 1687 HA PRO A 111 -3.091 34.677 -12.054 1.00 0.00 H ATOM 1688 HD3 PRO A 111 -4.321 36.575 -8.863 1.00 0.00 H ATOM 1689 HD2 PRO A 111 -5.292 35.084 -8.860 1.00 0.00 H ATOM 1690 HG3 PRO A 111 -5.894 35.344 -11.167 1.00 0.00 H ATOM 1691 HG2 PRO A 111 -5.983 37.008 -10.541 1.00 0.00 H ATOM 1692 HB2 PRO A 111 -3.807 37.539 -11.331 1.00 0.00 H ATOM 1693 HB3 PRO A 111 -4.469 36.540 -12.646 1.00 0.00 H ATOM 1694 N ASP A 112 -1.010 35.793 -12.459 1.00 28.26 N ATOM 1695 CA ASP A 112 0.349 36.285 -12.639 1.00 28.88 C ATOM 1696 C ASP A 112 0.497 37.809 -12.674 1.00 29.38 C ATOM 1697 O ASP A 112 1.449 38.351 -12.115 1.00 28.99 O ATOM 1698 CB ASP A 112 0.938 35.681 -13.918 1.00 29.33 C ATOM 1699 CG ASP A 112 2.302 36.246 -14.258 1.00 29.73 C ATOM 1700 OD1 ASP A 112 2.371 37.389 -14.756 1.00 30.38 O ATOM 1701 OD2 ASP A 112 3.307 35.543 -14.025 1.00 30.73 O ATOM 1702 HA ASP A 112 0.896 35.967 -11.751 1.00 0.00 H ATOM 1703 HB2 ASP A 112 1.030 34.603 -13.784 1.00 0.00 H ATOM 1704 HB3 ASP A 112 0.259 35.886 -14.746 1.00 0.00 H ATOM 1705 H ASP A 112 -1.439 35.211 -13.206 1.00 0.00 H ATOM 1706 N PHE A 113 -0.439 38.504 -13.317 1.00 29.62 N ATOM 1707 CA PHE A 113 -0.346 39.959 -13.422 1.00 30.52 C ATOM 1708 C PHE A 113 -0.387 40.698 -12.087 1.00 30.92 C ATOM 1709 O PHE A 113 0.021 41.858 -12.011 1.00 31.14 O ATOM 1710 CB PHE A 113 -1.446 40.514 -14.338 1.00 30.74 C ATOM 1711 CG PHE A 113 -2.782 40.665 -13.671 1.00 31.20 C ATOM 1712 CD1 PHE A 113 -3.523 39.548 -13.301 1.00 31.38 C ATOM 1713 CD2 PHE A 113 -3.303 41.930 -13.414 1.00 31.61 C ATOM 1714 CE1 PHE A 113 -4.764 39.686 -12.686 1.00 31.85 C ATOM 1715 CE2 PHE A 113 -4.544 42.081 -12.799 1.00 31.87 C ATOM 1716 CZ PHE A 113 -5.276 40.956 -12.433 1.00 31.79 C ATOM 1717 HA PHE A 113 0.640 40.142 -13.849 1.00 0.00 H ATOM 1718 HB2 PHE A 113 -1.130 41.493 -14.698 1.00 0.00 H ATOM 1719 HB3 PHE A 113 -1.561 39.837 -15.185 1.00 0.00 H ATOM 1720 HD2 PHE A 113 -2.732 42.814 -13.698 1.00 0.00 H ATOM 1721 HE2 PHE A 113 -4.940 43.078 -12.605 1.00 0.00 H ATOM 1722 HZ PHE A 113 -6.247 41.068 -11.950 1.00 0.00 H ATOM 1723 HE1 PHE A 113 -5.334 38.801 -12.403 1.00 0.00 H ATOM 1724 HD1 PHE A 113 -3.127 38.551 -13.495 1.00 0.00 H ATOM 1725 H PHE A 113 -1.244 38.007 -13.749 1.00 0.00 H ATOM 1726 N LEU A 114 -0.877 40.040 -11.041 1.00 31.45 N ATOM 1727 CA LEU A 114 -0.952 40.668 -9.726 1.00 32.11 C ATOM 1728 C LEU A 114 0.358 40.529 -8.958 1.00 32.55 C ATOM 1729 O LEU A 114 0.487 41.018 -7.833 1.00 32.51 O ATOM 1730 CB LEU A 114 -2.101 40.074 -8.909 1.00 32.58 C ATOM 1731 CG LEU A 114 -3.506 40.409 -9.418 1.00 33.09 C ATOM 1732 CD1 LEU A 114 -4.542 39.726 -8.537 1.00 33.25 C ATOM 1733 CD2 LEU A 114 -3.706 41.918 -9.420 1.00 33.26 C ATOM 1734 HA LEU A 114 -1.138 41.730 -9.885 1.00 0.00 H ATOM 1735 HB2 LEU A 114 -1.991 38.990 -8.911 1.00 0.00 H ATOM 1736 HB3 LEU A 114 -2.015 40.444 -7.887 1.00 0.00 H ATOM 1737 HG LEU A 114 -3.624 40.046 -10.439 1.00 0.00 H ATOM 1738 HD21 LEU A 114 -3.588 42.300 -8.406 1.00 0.00 H ATOM 1739 HD22 LEU A 114 -2.965 42.381 -10.072 1.00 0.00 H ATOM 1740 HD23 LEU A 114 -4.707 42.150 -9.783 1.00 0.00 H ATOM 1741 HD11 LEU A 114 -4.391 38.647 -8.570 1.00 0.00 H ATOM 1742 HD12 LEU A 114 -4.433 40.078 -7.511 1.00 0.00 H ATOM 1743 HD13 LEU A 114 -5.541 39.966 -8.901 1.00 0.00 H ATOM 1744 H LEU A 114 -1.212 39.063 -11.162 1.00 0.00 H ATOM 1745 N CYS A 115 1.326 39.851 -9.564 1.00 32.64 N ATOM 1746 CA CYS A 115 2.634 39.688 -8.945 1.00 33.36 C ATOM 1747 C CYS A 115 3.564 40.685 -9.611 1.00 35.28 C ATOM 1748 O CYS A 115 4.188 40.393 -10.631 1.00 35.87 O ATOM 1749 CB CYS A 115 3.151 38.261 -9.135 1.00 30.92 C ATOM 1750 SG CYS A 115 2.104 37.038 -8.295 1.00 26.72 S ATOM 1751 HA CYS A 115 2.577 39.866 -7.871 1.00 0.00 H ATOM 1752 HB2 CYS A 115 4.161 38.196 -8.731 1.00 0.00 H ATOM 1753 HB3 CYS A 115 3.172 38.033 -10.201 1.00 0.00 H ATOM 1754 H CYS A 115 1.147 39.429 -10.497 1.00 0.00 H ATOM 1755 N LYS A 116 3.629 41.875 -9.027 1.00 37.68 N ATOM 1756 CA LYS A 116 4.459 42.950 -9.544 1.00 39.92 C ATOM 1757 C LYS A 116 5.450 43.362 -8.470 1.00 40.93 C ATOM 1758 O LYS A 116 5.060 43.709 -7.353 1.00 41.49 O ATOM 1759 CB LYS A 116 3.574 44.145 -9.933 1.00 40.75 C ATOM 1760 CG LYS A 116 4.321 45.337 -10.523 1.00 42.02 C ATOM 1761 CD LYS A 116 5.116 46.090 -9.466 1.00 42.89 C ATOM 1762 CE LYS A 116 6.100 47.049 -10.106 1.00 43.42 C ATOM 1763 NZ LYS A 116 7.056 46.307 -10.972 1.00 43.92 N ATOM 1764 HA LYS A 116 4.999 42.612 -10.429 1.00 0.00 H ATOM 1765 HB2 LYS A 116 2.848 43.802 -10.670 1.00 0.00 H ATOM 1766 HB3 LYS A 116 3.050 44.483 -9.039 1.00 0.00 H ATOM 1767 HG2 LYS A 116 5.007 44.978 -11.291 1.00 0.00 H ATOM 1768 HG3 LYS A 116 3.599 46.018 -10.972 1.00 0.00 H ATOM 1769 HD2 LYS A 116 4.428 46.653 -8.836 1.00 0.00 H ATOM 1770 HD3 LYS A 116 5.663 45.373 -8.854 1.00 0.00 H ATOM 1771 HE2 LYS A 116 6.653 47.572 -9.325 1.00 0.00 H ATOM 1772 HE3 LYS A 116 5.555 47.774 -10.711 1.00 0.00 H ATOM 1773 HZ1 LYS A 116 7.579 45.617 -10.396 1.00 0.00 H ATOM 1774 HZ2 LYS A 116 6.531 45.810 -11.719 1.00 0.00 H ATOM 1775 HZ3 LYS A 116 7.724 46.978 -11.403 1.00 0.00 H ATOM 1776 H LYS A 116 3.066 42.044 -8.169 1.00 0.00 H ATOM 1777 N GLY A 117 6.734 43.321 -8.801 1.00 41.68 N ATOM 1778 CA GLY A 117 7.712 43.718 -7.814 1.00 42.44 C ATOM 1779 C GLY A 117 9.113 43.175 -7.950 1.00 42.92 C ATOM 1780 O GLY A 117 9.443 42.406 -8.856 1.00 43.14 O ATOM 1781 HA3 GLY A 117 7.336 43.406 -6.840 1.00 0.00 H ATOM 1782 HA2 GLY A 117 7.781 44.805 -7.844 1.00 0.00 H ATOM 1783 H GLY A 117 7.030 43.010 -9.748 1.00 0.00 H ATOM 1784 N GLU A 118 9.938 43.604 -7.005 1.00 43.32 N ATOM 1785 CA GLU A 118 11.334 43.225 -6.933 1.00 43.50 C ATOM 1786 C GLU A 118 11.681 42.866 -5.494 1.00 42.75 C ATOM 1787 O GLU A 118 11.578 43.699 -4.592 1.00 43.03 O ATOM 1788 CB GLU A 118 12.206 44.392 -7.399 1.00 44.60 C ATOM 1789 CG GLU A 118 11.711 45.750 -6.910 1.00 46.25 C ATOM 1790 CD GLU A 118 12.703 46.873 -7.162 1.00 47.48 C ATOM 1791 OE1 GLU A 118 13.743 46.916 -6.468 1.00 47.93 O ATOM 1792 OE2 GLU A 118 12.445 47.708 -8.057 1.00 48.17 O ATOM 1793 HA GLU A 118 11.515 42.364 -7.577 1.00 0.00 H ATOM 1794 HB2 GLU A 118 13.218 44.238 -7.026 1.00 0.00 H ATOM 1795 HB3 GLU A 118 12.219 44.400 -8.489 1.00 0.00 H ATOM 1796 HG2 GLU A 118 10.781 45.987 -7.426 1.00 0.00 H ATOM 1797 HG3 GLU A 118 11.524 45.686 -5.838 1.00 0.00 H ATOM 1798 H GLU A 118 9.563 44.246 -6.278 1.00 0.00 H ATOM 1799 N LEU A 119 12.070 41.616 -5.281 1.00 41.57 N ATOM 1800 CA LEU A 119 12.456 41.163 -3.955 1.00 40.07 C ATOM 1801 C LEU A 119 13.658 40.251 -4.154 1.00 38.88 C ATOM 1802 O LEU A 119 13.527 39.145 -4.680 1.00 38.88 O ATOM 1803 CB LEU A 119 11.316 40.394 -3.284 1.00 40.33 C ATOM 1804 CG LEU A 119 11.277 40.428 -1.750 1.00 40.58 C ATOM 1805 CD1 LEU A 119 10.313 39.369 -1.252 1.00 40.44 C ATOM 1806 CD2 LEU A 119 12.657 40.180 -1.171 1.00 40.77 C ATOM 1807 HA LEU A 119 12.692 42.008 -3.308 1.00 0.00 H ATOM 1808 HB2 LEU A 119 10.376 40.809 -3.649 1.00 0.00 H ATOM 1809 HB3 LEU A 119 11.394 39.351 -3.591 1.00 0.00 H ATOM 1810 HG LEU A 119 10.943 41.414 -1.427 1.00 0.00 H ATOM 1811 HD21 LEU A 119 13.014 39.202 -1.493 1.00 0.00 H ATOM 1812 HD22 LEU A 119 13.341 40.952 -1.523 1.00 0.00 H ATOM 1813 HD23 LEU A 119 12.604 40.209 -0.083 1.00 0.00 H ATOM 1814 HD11 LEU A 119 9.318 39.570 -1.648 1.00 0.00 H ATOM 1815 HD12 LEU A 119 10.648 38.388 -1.588 1.00 0.00 H ATOM 1816 HD13 LEU A 119 10.283 39.390 -0.163 1.00 0.00 H ATOM 1817 H LEU A 119 12.099 40.948 -6.077 1.00 0.00 H ATOM 1818 N LYS A 120 14.830 40.728 -3.749 1.00 37.06 N ATOM 1819 CA LYS A 120 16.050 39.951 -3.898 1.00 35.30 C ATOM 1820 C LYS A 120 16.230 38.993 -2.723 1.00 33.49 C ATOM 1821 O LYS A 120 15.826 39.285 -1.599 1.00 32.99 O ATOM 1822 CB LYS A 120 17.262 40.888 -4.015 1.00 36.23 C ATOM 1823 CG LYS A 120 18.527 40.186 -4.493 1.00 37.54 C ATOM 1824 CD LYS A 120 19.623 41.162 -4.903 1.00 38.60 C ATOM 1825 CE LYS A 120 20.211 41.892 -3.708 1.00 39.10 C ATOM 1826 NZ LYS A 120 21.375 42.734 -4.105 1.00 39.71 N ATOM 1827 HA LYS A 120 15.972 39.359 -4.810 1.00 0.00 H ATOM 1828 HB2 LYS A 120 17.019 41.681 -4.722 1.00 0.00 H ATOM 1829 HB3 LYS A 120 17.458 41.324 -3.035 1.00 0.00 H ATOM 1830 HG2 LYS A 120 18.903 39.558 -3.686 1.00 0.00 H ATOM 1831 HG3 LYS A 120 18.277 39.562 -5.351 1.00 0.00 H ATOM 1832 HD2 LYS A 120 20.418 40.609 -5.404 1.00 0.00 H ATOM 1833 HD3 LYS A 120 19.202 41.895 -5.591 1.00 0.00 H ATOM 1834 HE2 LYS A 120 20.538 41.159 -2.970 1.00 0.00 H ATOM 1835 HE3 LYS A 120 19.444 42.530 -3.269 1.00 0.00 H ATOM 1836 HZ1 LYS A 120 22.113 42.130 -4.520 1.00 0.00 H ATOM 1837 HZ2 LYS A 120 21.068 43.439 -4.805 1.00 0.00 H ATOM 1838 HZ3 LYS A 120 21.753 43.219 -3.266 1.00 0.00 H ATOM 1839 H LYS A 120 14.876 41.673 -3.318 1.00 0.00 H ATOM 1840 N CYS A 121 16.822 37.837 -2.995 1.00 31.36 N ATOM 1841 CA CYS A 121 17.059 36.840 -1.960 1.00 29.65 C ATOM 1842 C CYS A 121 18.048 37.340 -0.916 1.00 30.04 C ATOM 1843 O CYS A 121 17.800 37.119 0.290 1.00 30.14 O ATOM 1844 CB CYS A 121 17.596 35.557 -2.581 1.00 27.24 C ATOM 1845 SG CYS A 121 16.385 34.627 -3.565 1.00 24.37 S ATOM 1846 HA CYS A 121 16.106 36.646 -1.469 1.00 0.00 H ATOM 1847 OXT CYS A 121 19.072 37.924 -1.325 1.00 30.19 O ATOM 1848 HB2 CYS A 121 17.948 34.911 -1.777 1.00 0.00 H ATOM 1849 HB3 CYS A 121 18.433 35.817 -3.229 1.00 0.00 H ATOM 1850 H CYS A 121 17.124 37.638 -3.970 1.00 0.00 H TER 1851 CYS A 121 HETATM 1852 O HOH 1 19.566 32.487 -3.416 1.00 36.60 O HETATM 1853 O HOH 2 14.180 29.453 6.564 1.00 19.21 O HETATM 1854 O HOH 3 -9.741 32.056 3.290 1.00 60.35 O HETATM 1855 O HOH 4 1.457 16.048 -0.594 1.00 33.63 O HETATM 1856 O HOH 5 3.901 9.648 5.979 1.00 53.94 O HETATM 1857 O HOH 6 10.977 8.124 10.435 1.00 37.12 O HETATM 1858 O HOH 7 8.438 9.539 7.221 1.00 59.32 O HETATM 1859 O HOH 8 11.813 19.320 12.434 1.00 42.59 O HETATM 1860 O HOH 9 16.952 26.277 7.964 1.00 29.39 O HETATM 1861 O HOH 10 19.529 25.783 4.256 1.00 23.48 O HETATM 1862 O HOH 11 14.755 24.313 9.794 1.00 24.37 O HETATM 1863 O HOH 12 18.200 17.637 9.767 1.00 30.21 O HETATM 1864 O HOH 13 18.250 21.726 10.817 1.00 37.23 O HETATM 1865 O HOH 14 16.271 23.245 7.789 1.00 23.94 O HETATM 1866 O HOH 15 11.220 28.115 3.499 1.00 16.34 O HETATM 1867 O HOH 16 16.879 25.942 5.239 1.00 20.75 O HETATM 1868 O HOH 17 11.469 29.588 5.824 1.00 22.21 O HETATM 1869 O HOH 18 13.515 26.878 2.764 1.00 18.26 O HETATM 1870 O HOH 19 20.587 23.976 2.629 1.00 25.62 O HETATM 1871 O HOH 20 15.454 28.068 4.386 1.00 21.69 O HETATM 1872 O HOH 21 17.266 31.632 5.059 1.00 19.55 O HETATM 1873 O HOH 22 17.545 29.434 3.018 1.00 23.00 O HETATM 1874 O HOH 23 7.580 32.182 8.964 1.00 32.48 O HETATM 1875 O HOH 24 6.961 35.706 7.039 1.00 45.16 O HETATM 1876 O HOH 25 7.125 33.103 6.323 1.00 25.19 O HETATM 1877 O HOH 26 9.040 30.031 9.571 1.00 25.17 O HETATM 1878 O HOH 27 15.595 48.353 -7.665 1.00 53.90 O HETATM 1879 O HOH 28 -6.190 33.612 11.255 1.00 73.37 O HETATM 1880 O HOH 29 5.092 33.946 10.288 1.00 53.41 O HETATM 1881 O HOH 30 10.088 18.730 18.056 1.00 72.22 O HETATM 1882 O HOH 31 3.456 33.231 -10.356 1.00 59.58 O HETATM 1883 O HOH 32 2.041 30.520 -7.534 1.00 26.79 O HETATM 1884 O HOH 33 1.718 27.326 -10.330 1.00 40.03 O HETATM 1885 O HOH 34 4.495 31.753 -16.159 1.00 39.87 O HETATM 1886 O HOH 35 0.158 25.220 -11.722 1.00 42.05 O HETATM 1887 O HOH 36 0.242 36.048 6.590 1.00 36.02 O HETATM 1888 O HOH 37 0.961 33.212 9.764 1.00 29.72 O HETATM 1889 O HOH 38 -8.901 34.475 -11.273 1.00 56.95 O HETATM 1890 O HOH 39 8.923 34.128 10.705 1.00 36.19 O HETATM 1891 O HOH 40 0.456 16.363 -3.769 1.00 37.75 O HETATM 1892 O HOH 41 12.584 20.429 17.524 1.00 62.13 O HETATM 1893 O HOH 42 -5.385 19.577 0.613 1.00 54.65 O HETATM 1894 O HOH 43 3.478 24.917 -10.450 1.00 59.18 O HETATM 1895 O HOH 44 0.874 27.218 5.299 1.00 23.24 O HETATM 1896 O HOH 45 -0.100 32.399 5.138 1.00 23.49 O HETATM 1897 O HOH 46 10.276 34.763 5.560 1.00 35.51 O HETATM 1898 O HOH 47 22.510 22.997 4.497 1.00 51.45 O HETATM 1899 O HOH 48 7.100 35.660 9.624 1.00 48.05 O HETATM 1900 O HOH 49 13.066 33.707 -4.991 1.00 46.83 O HETATM 1901 O HOH 50 14.036 36.276 -5.937 1.00 52.72 O HETATM 1902 O HOH 51 20.014 11.567 1.833 1.00 29.98 O HETATM 1903 O HOH 52 13.509 18.032 -3.126 1.00 20.25 O HETATM 1904 O HOH 53 0.805 38.733 -16.534 1.00 28.86 O HETATM 1905 O HOH 54 13.035 9.285 3.419 1.00 45.52 O HETATM 1906 O HOH 55 20.689 9.190 0.685 1.00 51.50 O HETATM 1907 O HOH 56 4.853 12.975 19.704 1.00 44.11 O HETATM 1908 O HOH 57 13.034 7.143 13.218 1.00 60.32 O HETATM 1909 O HOH 58 22.172 15.572 6.065 1.00 39.82 O HETATM 1910 O HOH 59 22.868 7.814 5.471 1.00 44.85 O HETATM 1911 O HOH 60 21.407 18.153 6.251 1.00 47.18 O HETATM 1912 O HOH 61 19.342 17.771 12.104 1.00 60.88 O HETATM 1913 O HOH 62 28.084 17.750 3.890 1.00 49.90 O HETATM 1914 O HOH 63 28.416 15.500 2.584 1.00 66.80 O HETATM 1915 O HOH 64 19.878 14.459 3.584 1.00 38.62 O HETATM 1916 O HOH 65 4.705 45.677 -3.214 1.00 52.72 O HETATM 1917 O HOH 66 -3.106 35.093 4.204 1.00 25.15 O HETATM 1918 O HOH 67 9.879 32.235 5.276 1.00 32.06 O HETATM 1919 O HOH 68 19.208 24.248 -7.540 1.00 47.13 O HETATM 1920 O HOH 69 10.095 8.770 16.446 1.00 52.42 O HETATM 1921 O HOH 70 15.280 32.288 -6.109 1.00 55.61 O HETATM 1922 O HOH 71 -4.249 16.463 -6.910 1.00 66.33 O HETATM 1923 O HOH 72 -2.164 15.377 -8.734 1.00 55.62 O HETATM 1924 O HOH 73 11.708 38.080 -7.335 1.00 49.90 O HETATM 1925 O HOH 74 8.480 30.028 -7.371 1.00 39.95 O HETATM 1926 O HOH 75 10.625 9.371 5.639 1.00 54.79 O HETATM 1927 O HOH 76 24.926 10.138 10.144 1.00 53.38 O HETATM 1928 O HOH 77 22.412 8.510 7.936 1.00 39.30 O HETATM 1929 O HOH 78 20.568 7.371 4.210 1.00 52.70 O HETATM 1930 O HOH 79 19.960 35.213 -5.455 1.00 57.52 O HETATM 1931 O HOH 80 3.724 31.699 -12.837 1.00 52.45 O HETATM 1932 O HOH 81 -5.722 24.084 0.556 1.00 51.59 O HETATM 1933 O HOH 82 11.519 19.669 -4.460 1.00 53.75 O HETATM 1934 O HOH 83 2.779 40.907 -5.170 1.00 42.29 O HETATM 1935 O HOH 84 5.317 39.728 1.946 1.00 40.52 O HETATM 1936 O HOH 85 24.181 30.861 -6.381 1.00 50.97 O HETATM 1937 O HOH 86 -0.637 41.089 0.594 1.00 43.75 O HETATM 1938 O HOH 87 7.233 20.296 13.289 1.00 44.12 O HETATM 1939 O HOH 88 26.752 21.572 -6.066 1.00 43.83 O HETATM 1940 O HOH 89 17.194 3.870 2.379 1.00 65.50 O HETATM 1941 O HOH 90 22.568 10.719 9.093 1.00 60.59 O HETATM 1942 O HOH 91 30.079 14.699 0.432 1.00 45.28 O HETATM 1943 O HOH 92 -6.441 33.765 -6.729 1.00 34.29 O HETATM 1944 O HOH 93 0.411 33.243 12.787 1.00 48.54 O HETATM 1945 O HOH 94 14.780 43.393 -2.561 1.00 45.36 O HETATM 1946 O HOH 95 1.175 36.103 9.268 1.00 57.44 O HETATM 1947 O HOH 96 -2.253 36.892 5.803 1.00 49.11 O HETATM 1948 O HOH 97 25.376 24.050 -5.841 1.00 26.93 O HETATM 1949 O HOH 98 27.585 25.931 -12.580 1.00 47.44 O HETATM 1950 O HOH 99 26.431 21.010 -11.980 1.00 44.67 O HETATM 1951 O HOH 100 12.768 6.360 0.935 1.00 51.26 O HETATM 1952 O HOH 101 -9.035 30.084 -5.135 1.00 59.56 O HETATM 1953 O HOH 102 -12.413 31.769 2.835 1.00 55.80 O HETATM 1954 O HOH 103 14.552 44.026 -5.362 1.00 56.14 O HETATM 1955 O HOH 104 15.331 41.628 -0.718 1.00 60.42 O HETATM 1956 O HOH 105 19.899 38.507 -7.065 1.00 60.93 O HETATM 1957 O HOH 106 18.281 37.206 -5.158 1.00 60.35 O HETATM 1958 O HOH 107 -5.663 22.238 5.733 1.00 61.53 O HETATM 1959 O HOH 108 -6.448 19.416 4.791 1.00 54.06 O HETATM 1960 O HOH 109 9.082 26.786 -3.270 1.00 41.24 O HETATM 1961 O HOH 110 15.937 20.109 -10.371 1.00 29.03 O HETATM 1962 O HOH 111 4.073 20.911 -8.781 1.00 56.94 O HETATM 1963 C16 OPB A 112 12.029 22.776 -8.701 1.00 -0.08 C HETATM 1964 C17 OPB A 112 10.717 22.625 -8.140 1.00 -0.04 C HETATM 1965 C12 OPB A 112 10.159 23.615 -7.215 1.00 0.10 C HETATM 1966 C13 OPB A 112 11.012 24.756 -6.890 1.00 -0.04 C HETATM 1967 C14 OPB A 112 12.333 24.885 -7.469 1.00 -0.08 C HETATM 1968 C15 OPB A 112 12.828 23.892 -8.377 1.00 -0.08 C HETATM 1969 H5 OPB A 112 13.814 23.999 -8.814 1.00 0.05 H HETATM 1970 H4 OPB A 112 12.952 25.738 -7.214 1.00 0.06 H HETATM 1971 H3 OPB A 112 10.651 25.516 -6.206 1.00 0.05 H HETATM 1972 N2 OPB A 112 8.734 23.454 -6.632 1.00 -0.09 N HETATM 1973 C3 OPB A 112 8.414 23.439 -5.289 1.00 0.26 C HETATM 1974 C4 OPB A 112 6.890 23.240 -5.082 1.00 0.15 C HETATM 1975 C18 OPB A 112 6.777 21.911 -4.298 1.00 -0.02 C HETATM 1976 C19 OPB A 112 5.500 21.176 -3.836 1.00 -0.05 C HETATM 1977 C20 OPB A 112 5.921 19.711 -4.129 1.00 -0.06 C HETATM 1978 C21 OPB A 112 4.954 18.619 -3.833 1.00 -0.07 C HETATM 1979 H10 OPB A 112 5.404 17.650 -4.096 1.00 0.02 H HETATM 1980 H11 OPB A 112 4.038 18.770 -4.423 1.00 0.02 H HETATM 1981 H12 OPB A 112 4.706 18.630 -2.761 1.00 0.02 H HETATM 1982 H13 OPB A 112 6.160 19.651 -5.201 1.00 0.03 H HETATM 1983 H14 OPB A 112 6.827 19.510 -3.539 1.00 0.03 H HETATM 1984 H15 OPB A 112 5.298 21.338 -2.767 1.00 0.03 H HETATM 1985 H16 OPB A 112 4.620 21.475 -4.425 1.00 0.03 H HETATM 1986 H17 OPB A 112 7.309 21.177 -4.921 1.00 0.03 H HETATM 1987 H18 OPB A 112 7.345 22.087 -3.373 1.00 0.03 H HETATM 1988 C5 OPB A 112 6.444 23.160 -6.495 1.00 0.25 C HETATM 1989 N1 OPB A 112 7.496 23.274 -7.363 1.00 -0.09 N HETATM 1990 C6 OPB A 112 7.362 23.174 -8.864 1.00 0.09 C HETATM 1991 C11 OPB A 112 7.481 24.287 -9.831 1.00 -0.05 C HETATM 1992 C10 OPB A 112 7.328 24.003 -11.265 1.00 -0.05 C HETATM 1993 C9 OPB A 112 7.067 22.647 -11.706 1.00 0.07 C HETATM 1994 C8 OPB A 112 6.958 21.609 -10.771 1.00 -0.05 C HETATM 1995 C7 OPB A 112 7.104 21.869 -9.385 1.00 -0.05 C HETATM 1996 H9 OPB A 112 7.016 21.041 -8.690 1.00 0.05 H HETATM 1997 H6 OPB A 112 6.760 20.599 -11.110 1.00 0.05 H HETATM 1998 O9 OPB A 112 6.926 22.354 -13.026 1.00 -0.34 O HETATM 1999 H20 OPB A 112 6.761 21.424 -13.127 1.00 0.24 H HETATM 2000 H7 OPB A 112 7.410 24.805 -11.990 1.00 0.05 H HETATM 2001 H8 OPB A 112 7.678 25.296 -9.488 1.00 0.05 H HETATM 2002 O5 OPB A 112 5.242 23.007 -6.788 1.00 -0.38 O HETATM 2003 H19 OPB A 112 6.399 24.062 -4.541 1.00 0.08 H HETATM 2004 O3 OPB A 112 9.206 23.566 -4.311 1.00 -0.38 O HETATM 2005 H2 OPB A 112 10.124 21.758 -8.407 1.00 0.05 H HETATM 2006 H1 OPB A 112 12.410 22.024 -9.382 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1750 CONECT 424 423 640 CONECT 630 629 1399 CONECT 640 424 639 CONECT 714 713 1845 CONECT 724 723 1306 CONECT 821 820 1199 CONECT 1120 1119 1281 CONECT 1199 821 1198 CONECT 1281 1120 1280 CONECT 1306 724 1305 CONECT 1399 630 1398 CONECT 1750 393 1749 CONECT 1845 714 1844 CONECT 1963 1964 1968 2006 CONECT 1964 1963 1965 2005 CONECT 1965 1964 1966 1972 CONECT 1966 1965 1967 1971 CONECT 1967 1966 1968 1970 CONECT 1968 1963 1967 1969 CONECT 1969 1968 CONECT 1970 1967 CONECT 1971 1966 CONECT 1972 1965 1973 1989 CONECT 1973 1972 1974 2004 CONECT 1974 1973 1975 1988 2003 CONECT 1975 1974 1976 1986 1987 CONECT 1976 1975 1977 1984 1985 CONECT 1977 1976 1978 1982 1983 CONECT 1978 1977 1979 1980 1981 CONECT 1979 1978 CONECT 1980 1978 CONECT 1981 1978 CONECT 1982 1977 CONECT 1983 1977 CONECT 1984 1976 CONECT 1985 1976 CONECT 1986 1975 CONECT 1987 1975 CONECT 1988 1974 1989 2002 CONECT 1989 1972 1988 1990 CONECT 1990 1989 1991 1995 CONECT 1991 1990 1992 2001 CONECT 1992 1991 1993 2000 CONECT 1993 1992 1994 1998 CONECT 1994 1993 1995 1997 CONECT 1995 1990 1994 1996 CONECT 1996 1995 CONECT 1997 1994 CONECT 1998 1993 1999 CONECT 1999 1998 CONECT 2000 1992 CONECT 2001 1991 CONECT 2002 1988 CONECT 2003 1974 CONECT 2004 1973 CONECT 2005 1964 CONECT 2006 1963 MASTER 0 0 0 0 0 0 0 0 2005 1 62 10 END
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Structure:
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Related entries of code: 1q7a
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%
1sv3
RCSB PDB
PDBbind
121aa, >1SV3_1|Chain... at 100%
2arm
RCSB PDB
PDBbind
121aa, >2ARM_1|Chain... at 100%
2b17
RCSB PDB
PDBbind
121aa, >2B17_1|Chain... at 100%
3h1x
RCSB PDB
PDBbind
121aa, >3H1X_1|Chain... at 100%
4qem
RCSB PDB
PDBbind
121aa, >4QEM_1|Chain... at 100%
4qer
RCSB PDB
PDBbind
121aa, >4QER_1|Chain... at 100%
4qf7
RCSB PDB
PDBbind
121aa, >4QF7_1|Chain... at 100%
4qf8
RCSB PDB
PDBbind
121aa, >4QF8_1|Chain... at 100%
4qgd
RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1q7a
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
phospholipase a2
Ligand Name
OPB
EC.Number
E.C.3.1.1.4
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=64nM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v43 pp. 14577-83, 2004
Ligand Properties
Formula
C
1
9
H
2
0
N
2
O
3
Molecular Weight
324.374
Exact Mass
324.147
No. of atoms
44
No. of bonds
46
Polar Surface Area
60.85
LOGP Value
4.09 (
Computed with XLOGP3
)
3.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CCCC[C@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1
InChI String
InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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