Browse entries in the PDBbind-CN Database
HEADER 1HI5_COMPLEX COMPND 1HI5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 MET LYS PRO PRO GLN PHE THR TRP ALA GLN TRP PHE GLU SEQRES 2 A 135 THR GLN HIS ILE ASN MET THR SER GLN GLN CYS THR ASN SEQRES 3 A 135 ALA MET GLN VAL ILE ASN ASN TYR GLN ARG ARG CYS LYS SEQRES 4 A 135 ASN GLN ASN THR PHE LEU LEU THR THR PHE ALA ASN VAL SEQRES 5 A 135 VAL ASN VAL CYS GLY ASN PRO ASN MET THR CYS PRO SER SEQRES 6 A 135 ASN LYS THR ARG LYS ASN CYS HIS HIS SER GLY SER GLN SEQRES 7 A 135 VAL PRO LEU ILE HIS CYS ASN LEU THR THR PRO SER PRO SEQRES 8 A 135 GLN ASN ILE SER ASN CYS ARG TYR ALA GLN THR PRO ALA SEQRES 9 A 135 ASN MET PHE TYR ILE VAL ALA CYS ASP ASN ARG ASP GLN SEQRES 10 A 135 ARG ARG ASP PRO PRO GLN TYR PRO VAL VAL PRO VAL HIS SEQRES 11 A 135 LEU ASP ARG ILE ILE HET ADP A 268 39 SSBOND 1 CYS A 62 CYS A 71 SSBOND 2 CYS A 23 CYS A 83 SSBOND 3 CYS A 37 CYS A 96 SSBOND 4 CYS A 55 CYS A 111 ATOM 1 N MET A 0 7.144 14.627 12.230 1.00 34.07 N ATOM 2 CA MET A 0 7.184 15.152 13.630 1.00 32.86 C ATOM 3 C MET A 0 7.826 14.144 14.564 1.00 29.67 C ATOM 4 O MET A 0 8.138 13.016 14.168 1.00 30.54 O ATOM 5 CB MET A 0 5.776 15.477 14.128 1.00 33.38 C ATOM 6 CG MET A 0 4.772 15.666 13.014 1.00 38.33 C ATOM 7 SD MET A 0 4.489 14.141 12.115 1.00 42.41 S ATOM 8 CE MET A 0 4.627 12.969 13.431 1.00 40.51 C ATOM 9 HA MET A 0 7.780 16.064 13.624 1.00 0.00 H ATOM 10 HB2 MET A 0 5.437 14.659 14.764 1.00 0.00 H ATOM 11 HB3 MET A 0 5.820 16.396 14.713 1.00 0.00 H ATOM 12 HG2 MET A 0 5.148 16.420 12.323 1.00 0.00 H ATOM 13 HG3 MET A 0 3.828 16.005 13.442 1.00 0.00 H ATOM 14 HE1 MET A 0 5.619 13.041 13.877 1.00 0.00 H ATOM 15 HE2 MET A 0 3.871 13.182 14.187 1.00 0.00 H ATOM 16 HE3 MET A 0 4.476 11.964 13.038 1.00 0.00 H ATOM 17 HN3 MET A 0 6.590 13.747 12.207 1.00 0.00 H ATOM 18 HN2 MET A 0 8.113 14.437 11.905 1.00 0.00 H ATOM 19 HN1 MET A 0 6.701 15.333 11.609 1.00 0.00 H ATOM 20 N LYS A 1 7.986 14.548 15.817 1.00 24.56 N ATOM 21 CA LYS A 1 8.621 13.700 16.800 1.00 19.57 C ATOM 22 C LYS A 1 7.731 13.328 17.975 1.00 17.50 C ATOM 23 O LYS A 1 7.064 14.183 18.540 1.00 15.20 O ATOM 24 CB LYS A 1 9.879 14.418 17.301 1.00 19.49 C ATOM 25 CG LYS A 1 10.462 13.909 18.602 1.00 17.71 C ATOM 26 CD LYS A 1 11.891 14.430 18.801 1.00 13.32 C ATOM 27 CE LYS A 1 11.916 15.736 19.584 1.00 11.41 C ATOM 28 NZ LYS A 1 11.199 15.614 20.883 1.00 8.24 N ATOM 29 HA LYS A 1 8.859 12.755 16.311 1.00 0.00 H ATOM 30 HB2 LYS A 1 10.646 14.323 16.532 1.00 0.00 H ATOM 31 HB3 LYS A 1 9.631 15.471 17.436 1.00 0.00 H ATOM 32 HG2 LYS A 1 9.839 14.248 19.430 1.00 0.00 H ATOM 33 HG3 LYS A 1 10.478 12.819 18.584 1.00 0.00 H ATOM 34 HD2 LYS A 1 12.467 13.681 19.345 1.00 0.00 H ATOM 35 HD3 LYS A 1 12.345 14.596 17.824 1.00 0.00 H ATOM 36 HE2 LYS A 1 11.439 16.514 18.989 1.00 0.00 H ATOM 37 HE3 LYS A 1 12.953 16.012 19.777 1.00 0.00 H ATOM 38 HZ1 LYS A 1 10.207 15.356 20.707 1.00 0.00 H ATOM 39 HZ2 LYS A 1 11.653 14.877 21.460 1.00 0.00 H ATOM 40 HZ3 LYS A 1 11.238 16.523 21.386 1.00 0.00 H ATOM 41 H LYS A 1 7.649 15.491 16.097 1.00 0.00 H ATOM 42 N PRO A 2 7.661 12.027 18.320 1.00 17.00 N ATOM 43 CA PRO A 2 6.842 11.592 19.468 1.00 15.67 C ATOM 44 C PRO A 2 7.488 12.231 20.724 1.00 12.78 C ATOM 45 O PRO A 2 8.711 12.369 20.793 1.00 11.64 O ATOM 46 CB PRO A 2 6.949 10.065 19.430 1.00 15.46 C ATOM 47 CG PRO A 2 7.368 9.758 17.979 1.00 14.62 C ATOM 48 CD PRO A 2 8.276 10.887 17.618 1.00 16.05 C ATOM 49 HA PRO A 2 5.792 11.885 19.460 1.00 0.00 H ATOM 50 HD3 PRO A 2 9.291 10.706 17.973 1.00 0.00 H ATOM 51 HD2 PRO A 2 8.293 11.050 16.540 1.00 0.00 H ATOM 52 HG3 PRO A 2 6.499 9.734 17.321 1.00 0.00 H ATOM 53 HG2 PRO A 2 7.893 8.804 17.921 1.00 0.00 H ATOM 54 HB2 PRO A 2 7.702 9.711 20.134 1.00 0.00 H ATOM 55 HB3 PRO A 2 5.990 9.603 19.663 1.00 0.00 H ATOM 56 N PRO A 3 6.677 12.580 21.745 1.00 13.50 N ATOM 57 CA PRO A 3 7.138 13.227 22.986 1.00 12.02 C ATOM 58 C PRO A 3 8.177 12.496 23.828 1.00 11.61 C ATOM 59 O PRO A 3 8.997 13.128 24.511 1.00 10.46 O ATOM 60 CB PRO A 3 5.840 13.469 23.755 1.00 11.05 C ATOM 61 CG PRO A 3 4.961 12.332 23.300 1.00 11.40 C ATOM 62 CD PRO A 3 5.240 12.247 21.821 1.00 10.70 C ATOM 63 HA PRO A 3 7.705 14.123 22.734 1.00 0.00 H ATOM 64 HD3 PRO A 3 5.048 11.244 21.441 1.00 0.00 H ATOM 65 HD2 PRO A 3 4.639 12.966 21.265 1.00 0.00 H ATOM 66 HG3 PRO A 3 3.910 12.552 23.487 1.00 0.00 H ATOM 67 HG2 PRO A 3 5.232 11.404 23.803 1.00 0.00 H ATOM 68 HB2 PRO A 3 6.008 13.429 24.831 1.00 0.00 H ATOM 69 HB3 PRO A 3 5.402 14.432 23.493 1.00 0.00 H ATOM 70 N GLN A 4 8.149 11.170 23.775 1.00 11.42 N ATOM 71 CA GLN A 4 9.081 10.359 24.550 1.00 12.97 C ATOM 72 C GLN A 4 10.514 10.301 24.005 1.00 12.87 C ATOM 73 O GLN A 4 11.383 9.721 24.650 1.00 14.28 O ATOM 74 CB GLN A 4 8.543 8.933 24.690 1.00 12.51 C ATOM 75 CG GLN A 4 8.629 8.118 23.422 1.00 12.65 C ATOM 76 CD GLN A 4 7.323 8.120 22.662 1.00 14.12 C ATOM 77 OE1 GLN A 4 6.654 9.149 22.555 1.00 12.71 O ATOM 78 NE2 GLN A 4 6.950 6.963 22.124 1.00 15.56 N ATOM 79 HA GLN A 4 9.150 10.861 25.515 1.00 0.00 H ATOM 80 HB2 GLN A 4 9.117 8.424 25.465 1.00 0.00 H ATOM 81 HB3 GLN A 4 7.497 8.989 24.992 1.00 0.00 H ATOM 82 HG2 GLN A 4 9.408 8.537 22.785 1.00 0.00 H ATOM 83 HG3 GLN A 4 8.886 7.090 23.680 1.00 0.00 H ATOM 84 HE22 GLN A 4 7.547 6.119 22.240 1.00 0.00 H ATOM 85 HE21 GLN A 4 6.061 6.902 21.587 1.00 0.00 H ATOM 86 H GLN A 4 7.448 10.699 23.168 1.00 0.00 H ATOM 87 N PHE A 5 10.768 10.900 22.839 1.00 13.22 N ATOM 88 CA PHE A 5 12.117 10.883 22.256 1.00 13.14 C ATOM 89 C PHE A 5 12.764 12.276 22.233 1.00 15.11 C ATOM 90 O PHE A 5 12.076 13.295 22.068 1.00 11.09 O ATOM 91 CB PHE A 5 12.111 10.405 20.788 1.00 15.19 C ATOM 92 CG PHE A 5 11.534 9.027 20.556 1.00 18.13 C ATOM 93 CD1 PHE A 5 10.175 8.861 20.302 1.00 18.96 C ATOM 94 CD2 PHE A 5 12.356 7.910 20.508 1.00 22.01 C ATOM 95 CE1 PHE A 5 9.645 7.616 20.005 1.00 19.34 C ATOM 96 CE2 PHE A 5 11.831 6.647 20.211 1.00 24.04 C ATOM 97 CZ PHE A 5 10.475 6.504 19.960 1.00 22.34 C ATOM 98 HA PHE A 5 12.678 10.200 22.894 1.00 0.00 H ATOM 99 HB2 PHE A 5 11.527 11.117 20.205 1.00 0.00 H ATOM 100 HB3 PHE A 5 13.141 10.403 20.431 1.00 0.00 H ATOM 101 HD2 PHE A 5 13.423 8.017 20.704 1.00 0.00 H ATOM 102 HE2 PHE A 5 12.487 5.777 20.177 1.00 0.00 H ATOM 103 HZ PHE A 5 10.062 5.522 19.728 1.00 0.00 H ATOM 104 HE1 PHE A 5 8.578 7.510 19.807 1.00 0.00 H ATOM 105 HD1 PHE A 5 9.515 9.728 20.338 1.00 0.00 H ATOM 106 H PHE A 5 9.999 11.386 22.335 1.00 0.00 H ATOM 107 N THR A 6 14.091 12.304 22.375 1.00 14.24 N ATOM 108 CA THR A 6 14.851 13.551 22.279 1.00 13.19 C ATOM 109 C THR A 6 15.110 13.584 20.772 1.00 11.25 C ATOM 110 O THR A 6 14.878 12.583 20.098 1.00 10.07 O ATOM 111 CB THR A 6 16.208 13.466 22.989 1.00 11.29 C ATOM 112 OG1 THR A 6 16.948 12.351 22.459 1.00 10.01 O ATOM 113 CG2 THR A 6 16.023 13.316 24.507 1.00 10.31 C ATOM 114 HA THR A 6 14.336 14.405 22.719 1.00 0.00 H ATOM 115 HB THR A 6 16.762 14.388 22.812 1.00 0.00 H ATOM 116 HG1 THR A 6 17.825 12.292 22.914 1.00 0.00 H ATOM 117 HG23 THR A 6 15.461 14.168 24.889 1.00 0.00 H ATOM 118 HG21 THR A 6 15.477 12.396 24.716 1.00 0.00 H ATOM 119 HG22 THR A 6 17.000 13.277 24.989 1.00 0.00 H ATOM 120 H THR A 6 14.599 11.415 22.559 1.00 0.00 H ATOM 121 N TRP A 7 15.588 14.694 20.226 1.00 9.57 N ATOM 122 CA TRP A 7 15.813 14.700 18.782 1.00 10.74 C ATOM 123 C TRP A 7 16.846 13.654 18.369 1.00 8.69 C ATOM 124 O TRP A 7 16.704 13.025 17.326 1.00 8.30 O ATOM 125 CB TRP A 7 16.225 16.091 18.309 1.00 11.13 C ATOM 126 CG TRP A 7 15.091 17.054 18.356 1.00 13.21 C ATOM 127 CD1 TRP A 7 14.893 18.042 19.280 1.00 17.25 C ATOM 128 CD2 TRP A 7 14.022 17.162 17.419 1.00 13.41 C ATOM 129 NE1 TRP A 7 13.763 18.765 18.969 1.00 16.31 N ATOM 130 CE2 TRP A 7 13.211 18.247 17.830 1.00 15.24 C ATOM 131 CE3 TRP A 7 13.668 16.451 16.268 1.00 14.99 C ATOM 132 CZ2 TRP A 7 12.070 18.638 17.129 1.00 13.47 C ATOM 133 CZ3 TRP A 7 12.530 16.840 15.567 1.00 17.08 C ATOM 134 CH2 TRP A 7 11.746 17.926 16.003 1.00 15.43 C ATOM 135 HA TRP A 7 14.873 14.436 18.298 1.00 0.00 H ATOM 136 HB2 TRP A 7 17.026 16.458 18.951 1.00 0.00 H ATOM 137 HB3 TRP A 7 16.586 16.022 17.283 1.00 0.00 H ATOM 138 HE1 TRP A 7 13.391 19.571 19.510 1.00 0.00 H ATOM 139 HD1 TRP A 7 15.537 18.230 20.139 1.00 0.00 H ATOM 140 HZ2 TRP A 7 11.460 19.477 17.463 1.00 0.00 H ATOM 141 HH2 TRP A 7 10.861 18.207 15.432 1.00 0.00 H ATOM 142 HZ3 TRP A 7 12.241 16.296 14.667 1.00 0.00 H ATOM 143 HE3 TRP A 7 14.271 15.609 15.927 1.00 0.00 H ATOM 144 H TRP A 7 15.796 15.532 20.806 1.00 0.00 H ATOM 145 N ALA A 8 17.870 13.457 19.196 1.00 8.50 N ATOM 146 CA ALA A 8 18.911 12.471 18.912 1.00 6.87 C ATOM 147 C ALA A 8 18.346 11.048 18.914 1.00 7.06 C ATOM 148 O ALA A 8 18.727 10.217 18.087 1.00 8.41 O ATOM 149 CB ALA A 8 20.021 12.581 19.937 1.00 7.66 C ATOM 150 HA ALA A 8 19.308 12.679 17.918 1.00 0.00 H ATOM 151 HB1 ALA A 8 20.453 13.581 19.897 1.00 0.00 H ATOM 152 HB2 ALA A 8 19.615 12.398 20.932 1.00 0.00 H ATOM 153 HB3 ALA A 8 20.792 11.842 19.717 1.00 0.00 H ATOM 154 H ALA A 8 17.931 14.020 20.068 1.00 0.00 H ATOM 155 N GLN A 9 17.444 10.767 19.851 1.00 9.01 N ATOM 156 CA GLN A 9 16.845 9.439 19.954 1.00 8.50 C ATOM 157 C GLN A 9 15.940 9.171 18.757 1.00 9.20 C ATOM 158 O GLN A 9 15.865 8.052 18.256 1.00 10.10 O ATOM 159 CB GLN A 9 16.057 9.329 21.259 1.00 7.72 C ATOM 160 CG GLN A 9 16.960 9.268 22.500 1.00 9.03 C ATOM 161 CD GLN A 9 16.193 9.387 23.805 1.00 8.52 C ATOM 162 OE1 GLN A 9 15.055 9.833 23.825 1.00 11.06 O ATOM 163 NE2 GLN A 9 16.820 8.985 24.900 1.00 12.29 N ATOM 164 HA GLN A 9 17.637 8.690 19.956 1.00 0.00 H ATOM 165 HB2 GLN A 9 15.405 10.198 21.346 1.00 0.00 H ATOM 166 HB3 GLN A 9 15.451 8.423 21.225 1.00 0.00 H ATOM 167 HG2 GLN A 9 17.491 8.316 22.496 1.00 0.00 H ATOM 168 HG3 GLN A 9 17.680 10.085 22.445 1.00 0.00 H ATOM 169 HE22 GLN A 9 17.789 8.612 24.837 1.00 0.00 H ATOM 170 HE21 GLN A 9 16.344 9.042 25.823 1.00 0.00 H ATOM 171 H GLN A 9 17.160 11.508 20.523 1.00 0.00 H ATOM 172 N TRP A 10 15.267 10.215 18.291 1.00 8.95 N ATOM 173 CA TRP A 10 14.371 10.097 17.154 1.00 8.56 C ATOM 174 C TRP A 10 15.208 9.954 15.879 1.00 9.62 C ATOM 175 O TRP A 10 14.790 9.284 14.927 1.00 8.43 O ATOM 176 CB TRP A 10 13.467 11.333 17.098 1.00 7.05 C ATOM 177 CG TRP A 10 12.436 11.288 16.022 1.00 11.08 C ATOM 178 CD1 TRP A 10 12.240 12.224 15.049 1.00 9.85 C ATOM 179 CD2 TRP A 10 11.459 10.256 15.795 1.00 9.29 C ATOM 180 NE1 TRP A 10 11.205 11.842 14.227 1.00 13.47 N ATOM 181 CE2 TRP A 10 10.708 10.639 14.658 1.00 12.03 C ATOM 182 CE3 TRP A 10 11.146 9.047 16.440 1.00 10.44 C ATOM 183 CZ2 TRP A 10 9.660 9.856 14.145 1.00 10.06 C ATOM 184 CZ3 TRP A 10 10.098 8.265 15.931 1.00 11.40 C ATOM 185 CH2 TRP A 10 9.371 8.677 14.792 1.00 11.10 C ATOM 186 HA TRP A 10 13.736 9.216 17.249 1.00 0.00 H ATOM 187 HB2 TRP A 10 12.957 11.428 18.057 1.00 0.00 H ATOM 188 HB3 TRP A 10 14.095 12.209 16.934 1.00 0.00 H ATOM 189 HE1 TRP A 10 10.855 12.380 13.409 1.00 0.00 H ATOM 190 HD1 TRP A 10 12.819 13.141 14.939 1.00 0.00 H ATOM 191 HZ2 TRP A 10 9.097 10.171 13.267 1.00 0.00 H ATOM 192 HH2 TRP A 10 8.564 8.047 14.418 1.00 0.00 H ATOM 193 HZ3 TRP A 10 9.841 7.326 16.422 1.00 0.00 H ATOM 194 HE3 TRP A 10 11.706 8.724 17.318 1.00 0.00 H ATOM 195 H TRP A 10 15.384 11.140 18.751 1.00 0.00 H ATOM 196 N PHE A 11 16.389 10.578 15.867 1.00 8.79 N ATOM 197 CA PHE A 11 17.296 10.501 14.721 1.00 7.27 C ATOM 198 C PHE A 11 17.790 9.061 14.599 1.00 8.53 C ATOM 199 O PHE A 11 17.877 8.486 13.491 1.00 6.19 O ATOM 200 CB PHE A 11 18.502 11.432 14.912 1.00 7.26 C ATOM 201 CG PHE A 11 19.558 11.255 13.863 1.00 9.90 C ATOM 202 CD1 PHE A 11 19.520 12.007 12.679 1.00 6.13 C ATOM 203 CD2 PHE A 11 20.557 10.288 14.018 1.00 8.80 C ATOM 204 CE1 PHE A 11 20.463 11.801 11.652 1.00 8.63 C ATOM 205 CE2 PHE A 11 21.503 10.069 13.000 1.00 11.49 C ATOM 206 CZ PHE A 11 21.454 10.831 11.809 1.00 8.02 C ATOM 207 HA PHE A 11 16.764 10.810 13.821 1.00 0.00 H ATOM 208 HB2 PHE A 11 18.152 12.464 14.880 1.00 0.00 H ATOM 209 HB3 PHE A 11 18.945 11.230 15.887 1.00 0.00 H ATOM 210 HD2 PHE A 11 20.603 9.700 14.934 1.00 0.00 H ATOM 211 HE2 PHE A 11 22.275 9.311 13.129 1.00 0.00 H ATOM 212 HZ PHE A 11 22.186 10.662 11.019 1.00 0.00 H ATOM 213 HE1 PHE A 11 20.419 12.396 10.740 1.00 0.00 H ATOM 214 HD1 PHE A 11 18.747 12.765 12.551 1.00 0.00 H ATOM 215 H PHE A 11 16.673 11.136 16.698 1.00 0.00 H ATOM 216 N GLU A 12 18.112 8.478 15.751 1.00 6.76 N ATOM 217 CA GLU A 12 18.580 7.099 15.797 1.00 9.08 C ATOM 218 C GLU A 12 17.482 6.133 15.330 1.00 9.30 C ATOM 219 O GLU A 12 17.738 5.189 14.577 1.00 8.96 O ATOM 220 CB GLU A 12 18.999 6.736 17.224 1.00 9.52 C ATOM 221 CG GLU A 12 19.556 5.333 17.340 1.00 12.46 C ATOM 222 CD GLU A 12 20.277 5.115 18.640 1.00 15.91 C ATOM 223 OE1 GLU A 12 19.800 5.623 19.680 1.00 17.31 O ATOM 224 OE2 GLU A 12 21.321 4.446 18.626 1.00 15.66 O ATOM 225 HA GLU A 12 19.436 7.009 15.128 1.00 0.00 H ATOM 226 HB2 GLU A 12 19.763 7.441 17.552 1.00 0.00 H ATOM 227 HB3 GLU A 12 18.128 6.819 17.873 1.00 0.00 H ATOM 228 HG2 GLU A 12 18.733 4.621 17.271 1.00 0.00 H ATOM 229 HG3 GLU A 12 20.252 5.162 16.519 1.00 0.00 H ATOM 230 H GLU A 12 18.028 9.017 16.636 1.00 0.00 H ATOM 231 N THR A 13 16.262 6.382 15.790 1.00 7.60 N ATOM 232 CA THR A 13 15.117 5.561 15.450 1.00 7.65 C ATOM 233 C THR A 13 14.803 5.656 13.961 1.00 9.37 C ATOM 234 O THR A 13 14.427 4.667 13.325 1.00 7.92 O ATOM 235 CB THR A 13 13.889 6.009 16.290 1.00 7.49 C ATOM 236 OG1 THR A 13 14.224 5.908 17.674 1.00 7.94 O ATOM 237 CG2 THR A 13 12.678 5.136 16.019 1.00 7.32 C ATOM 238 HA THR A 13 15.351 4.521 15.678 1.00 0.00 H ATOM 239 HB THR A 13 13.640 7.034 16.015 1.00 0.00 H ATOM 240 HG1 THR A 13 14.998 6.493 17.869 1.00 0.00 H ATOM 241 HG23 THR A 13 12.411 5.204 14.964 1.00 0.00 H ATOM 242 HG21 THR A 13 12.914 4.102 16.269 1.00 0.00 H ATOM 243 HG22 THR A 13 11.842 5.477 16.629 1.00 0.00 H ATOM 244 H THR A 13 16.122 7.198 16.419 1.00 0.00 H ATOM 245 N GLN A 14 14.989 6.845 13.395 1.00 9.28 N ATOM 246 CA GLN A 14 14.677 7.057 11.985 1.00 10.80 C ATOM 247 C GLN A 14 15.743 6.742 10.948 1.00 9.37 C ATOM 248 O GLN A 14 15.420 6.262 9.852 1.00 9.48 O ATOM 249 CB GLN A 14 14.272 8.503 11.755 1.00 10.03 C ATOM 250 CG GLN A 14 12.938 8.903 12.302 1.00 10.68 C ATOM 251 CD GLN A 14 12.481 10.187 11.648 1.00 9.97 C ATOM 252 OE1 GLN A 14 11.449 10.222 10.988 1.00 10.89 O ATOM 253 NE2 GLN A 14 13.266 11.249 11.815 1.00 11.41 N ATOM 254 HA GLN A 14 13.885 6.325 11.823 1.00 0.00 H ATOM 255 HB2 GLN A 14 15.027 9.139 12.217 1.00 0.00 H ATOM 256 HB3 GLN A 14 14.259 8.679 10.679 1.00 0.00 H ATOM 257 HG2 GLN A 14 12.212 8.115 12.100 1.00 0.00 H ATOM 258 HG3 GLN A 14 13.018 9.053 13.379 1.00 0.00 H ATOM 259 HE22 GLN A 14 14.133 11.171 12.384 1.00 0.00 H ATOM 260 HE21 GLN A 14 13.013 12.157 11.376 1.00 0.00 H ATOM 261 H GLN A 14 15.361 7.633 13.963 1.00 0.00 H ATOM 262 N HIS A 15 16.999 7.022 11.282 1.00 9.03 N ATOM 263 CA HIS A 15 18.076 6.842 10.324 1.00 9.05 C ATOM 264 C HIS A 15 19.194 5.860 10.658 1.00 10.26 C ATOM 265 O HIS A 15 20.065 5.622 9.822 1.00 11.41 O ATOM 266 CB HIS A 15 18.674 8.213 10.015 1.00 8.29 C ATOM 267 CG HIS A 15 17.646 9.235 9.652 1.00 9.14 C ATOM 268 ND1 HIS A 15 16.908 9.161 8.492 1.00 7.68 N ATOM 269 CD2 HIS A 15 17.188 10.322 10.321 1.00 6.92 C ATOM 270 CE1 HIS A 15 16.039 10.155 8.461 1.00 8.83 C ATOM 271 NE2 HIS A 15 16.189 10.874 9.559 1.00 9.82 N ATOM 272 HA HIS A 15 17.593 6.366 9.471 1.00 0.00 H ATOM 273 HB2 HIS A 15 19.214 8.562 10.895 1.00 0.00 H ATOM 274 HB3 HIS A 15 19.369 8.109 9.181 1.00 0.00 H ATOM 275 HD2 HIS A 15 17.546 10.688 11.283 1.00 0.00 H ATOM 276 HE1 HIS A 15 15.320 10.349 7.665 1.00 0.00 H ATOM 277 H HIS A 15 17.212 7.373 12.237 1.00 0.00 H ATOM 278 N ILE A 16 19.181 5.284 11.857 1.00 9.19 N ATOM 279 CA ILE A 16 20.235 4.351 12.223 1.00 8.61 C ATOM 280 C ILE A 16 19.736 2.944 12.555 1.00 10.01 C ATOM 281 O ILE A 16 20.305 1.952 12.103 1.00 8.09 O ATOM 282 CB ILE A 16 21.061 4.885 13.429 1.00 8.85 C ATOM 283 CG1 ILE A 16 21.716 6.230 13.074 1.00 9.21 C ATOM 284 CG2 ILE A 16 22.104 3.843 13.848 1.00 10.83 C ATOM 285 CD1 ILE A 16 22.814 6.149 12.021 1.00 8.17 C ATOM 286 HA ILE A 16 20.860 4.273 11.333 1.00 0.00 H ATOM 287 HB ILE A 16 20.396 5.056 14.275 1.00 0.00 H ATOM 288 HG12 ILE A 16 20.939 6.898 12.703 1.00 0.00 H ATOM 289 HG13 ILE A 16 22.148 6.647 13.983 1.00 0.00 H ATOM 290 HD11 ILE A 16 23.610 5.496 12.378 1.00 0.00 H ATOM 291 HD12 ILE A 16 22.400 5.747 11.096 1.00 0.00 H ATOM 292 HD13 ILE A 16 23.215 7.146 11.838 1.00 0.00 H ATOM 293 HG21 ILE A 16 21.599 2.921 14.137 1.00 0.00 H ATOM 294 HG22 ILE A 16 22.774 3.645 13.012 1.00 0.00 H ATOM 295 HG23 ILE A 16 22.678 4.224 14.693 1.00 0.00 H ATOM 296 H ILE A 16 18.419 5.500 12.531 1.00 0.00 H ATOM 297 N ASN A 17 18.675 2.845 13.339 1.00 8.98 N ATOM 298 CA ASN A 17 18.181 1.525 13.716 1.00 9.03 C ATOM 299 C ASN A 17 17.161 0.965 12.752 1.00 8.86 C ATOM 300 O ASN A 17 15.955 0.998 13.022 1.00 9.48 O ATOM 301 CB ASN A 17 17.589 1.559 15.119 1.00 9.49 C ATOM 302 CG ASN A 17 18.648 1.747 16.194 1.00 9.18 C ATOM 303 OD1 ASN A 17 19.828 1.478 15.970 1.00 10.21 O ATOM 304 ND2 ASN A 17 18.228 2.218 17.367 1.00 12.23 N ATOM 305 HA ASN A 17 19.045 0.862 13.687 1.00 0.00 H ATOM 306 HB2 ASN A 17 16.879 2.384 15.179 1.00 0.00 H ATOM 307 HB3 ASN A 17 17.068 0.619 15.302 1.00 0.00 H ATOM 308 HD22 ASN A 17 17.220 2.431 17.511 1.00 0.00 H ATOM 309 HD21 ASN A 17 18.908 2.372 18.139 1.00 0.00 H ATOM 310 H ASN A 17 18.197 3.702 13.684 1.00 0.00 H ATOM 311 N MET A 18 17.646 0.450 11.621 1.00 8.00 N ATOM 312 CA MET A 18 16.746 -0.146 10.650 1.00 8.98 C ATOM 313 C MET A 18 16.443 -1.537 11.220 1.00 10.13 C ATOM 314 O MET A 18 17.253 -2.468 11.097 1.00 9.07 O ATOM 315 CB MET A 18 17.411 -0.227 9.275 1.00 8.78 C ATOM 316 CG MET A 18 16.391 -0.245 8.158 1.00 8.51 C ATOM 317 SD MET A 18 17.066 -0.401 6.493 1.00 9.49 S ATOM 318 CE MET A 18 15.559 -0.823 5.603 1.00 7.81 C ATOM 319 HA MET A 18 15.837 0.437 10.500 1.00 0.00 H ATOM 320 HB2 MET A 18 18.061 0.638 9.146 1.00 0.00 H ATOM 321 HB3 MET A 18 18.007 -1.138 9.224 1.00 0.00 H ATOM 322 HG2 MET A 18 15.824 0.685 8.205 1.00 0.00 H ATOM 323 HG3 MET A 18 15.720 -1.087 8.329 1.00 0.00 H ATOM 324 HE1 MET A 18 15.146 -1.747 6.008 1.00 0.00 H ATOM 325 HE2 MET A 18 14.833 -0.018 5.718 1.00 0.00 H ATOM 326 HE3 MET A 18 15.789 -0.958 4.546 1.00 0.00 H ATOM 327 H MET A 18 18.669 0.475 11.435 1.00 0.00 H ATOM 328 N THR A 19 15.270 -1.670 11.840 1.00 8.74 N ATOM 329 CA THR A 19 14.894 -2.921 12.499 1.00 10.00 C ATOM 330 C THR A 19 14.722 -4.146 11.610 1.00 9.87 C ATOM 331 O THR A 19 14.673 -5.267 12.108 1.00 9.61 O ATOM 332 CB THR A 19 13.643 -2.731 13.362 1.00 7.33 C ATOM 333 OG1 THR A 19 12.531 -2.362 12.543 1.00 11.21 O ATOM 334 CG2 THR A 19 13.892 -1.655 14.406 1.00 7.81 C ATOM 335 HA THR A 19 15.768 -3.148 13.110 1.00 0.00 H ATOM 336 HB THR A 19 13.417 -3.672 13.864 1.00 0.00 H ATOM 337 HG1 THR A 19 12.735 -1.514 12.075 1.00 0.00 H ATOM 338 HG23 THR A 19 14.741 -1.942 15.027 1.00 0.00 H ATOM 339 HG21 THR A 19 14.108 -0.710 13.908 1.00 0.00 H ATOM 340 HG22 THR A 19 13.005 -1.544 15.030 1.00 0.00 H ATOM 341 H THR A 19 14.608 -0.868 11.855 1.00 0.00 H ATOM 342 N SER A 20 14.655 -3.921 10.302 1.00 9.57 N ATOM 343 CA SER A 20 14.525 -4.981 9.307 1.00 9.18 C ATOM 344 C SER A 20 15.198 -4.467 8.040 1.00 10.70 C ATOM 345 O SER A 20 15.130 -3.270 7.743 1.00 10.58 O ATOM 346 CB SER A 20 13.057 -5.260 9.008 1.00 7.80 C ATOM 347 OG SER A 20 12.923 -5.906 7.762 1.00 9.73 O ATOM 348 HA SER A 20 14.978 -5.904 9.669 1.00 0.00 H ATOM 349 HB2 SER A 20 12.510 -4.318 8.985 1.00 0.00 H ATOM 350 HB3 SER A 20 12.646 -5.899 9.790 1.00 0.00 H ATOM 351 HG SER A 20 13.417 -6.764 7.781 1.00 0.00 H ATOM 352 H SER A 20 14.697 -2.937 9.969 1.00 0.00 H ATOM 353 N GLN A 21 15.843 -5.351 7.286 1.00 9.33 N ATOM 354 CA GLN A 21 16.493 -4.907 6.064 1.00 8.65 C ATOM 355 C GLN A 21 15.442 -4.589 4.987 1.00 9.81 C ATOM 356 O GLN A 21 15.781 -4.131 3.902 1.00 9.22 O ATOM 357 CB GLN A 21 17.470 -5.970 5.564 1.00 8.77 C ATOM 358 CG GLN A 21 18.707 -6.122 6.437 1.00 8.35 C ATOM 359 CD GLN A 21 19.842 -6.825 5.725 1.00 9.38 C ATOM 360 OE1 GLN A 21 20.128 -6.554 4.548 1.00 10.88 O ATOM 361 NE2 GLN A 21 20.506 -7.729 6.432 1.00 8.06 N ATOM 362 HA GLN A 21 17.055 -3.998 6.278 1.00 0.00 H ATOM 363 HB2 GLN A 21 16.951 -6.928 5.533 1.00 0.00 H ATOM 364 HB3 GLN A 21 17.790 -5.698 4.558 1.00 0.00 H ATOM 365 HG2 GLN A 21 19.045 -5.131 6.739 1.00 0.00 H ATOM 366 HG3 GLN A 21 18.440 -6.699 7.323 1.00 0.00 H ATOM 367 HE22 GLN A 21 20.231 -7.924 7.416 1.00 0.00 H ATOM 368 HE21 GLN A 21 21.302 -8.243 6.003 1.00 0.00 H ATOM 369 H GLN A 21 15.882 -6.351 7.568 1.00 0.00 H ATOM 370 N GLN A 22 14.171 -4.832 5.307 1.00 8.88 N ATOM 371 CA GLN A 22 13.059 -4.569 4.403 1.00 8.95 C ATOM 372 C GLN A 22 12.437 -3.249 4.799 1.00 8.32 C ATOM 373 O GLN A 22 12.076 -3.085 5.943 1.00 9.38 O ATOM 374 CB GLN A 22 11.992 -5.645 4.541 1.00 11.86 C ATOM 375 CG GLN A 22 12.417 -6.964 4.003 1.00 20.95 C ATOM 376 CD GLN A 22 12.842 -6.842 2.560 1.00 28.05 C ATOM 377 OE1 GLN A 22 12.247 -6.074 1.791 1.00 30.36 O ATOM 378 NE2 GLN A 22 13.878 -7.588 2.180 1.00 28.91 N ATOM 379 HA GLN A 22 13.427 -4.554 3.377 1.00 0.00 H ATOM 380 HB2 GLN A 22 11.753 -5.762 5.598 1.00 0.00 H ATOM 381 HB3 GLN A 22 11.102 -5.321 4.002 1.00 0.00 H ATOM 382 HG2 GLN A 22 13.254 -7.338 4.592 1.00 0.00 H ATOM 383 HG3 GLN A 22 11.584 -7.664 4.073 1.00 0.00 H ATOM 384 HE22 GLN A 22 14.344 -8.218 2.864 1.00 0.00 H ATOM 385 HE21 GLN A 22 14.221 -7.541 1.199 1.00 0.00 H ATOM 386 H GLN A 22 13.963 -5.228 6.246 1.00 0.00 H ATOM 387 N CYS A 23 12.280 -2.326 3.859 1.00 8.05 N ATOM 388 CA CYS A 23 11.689 -1.021 4.182 1.00 8.97 C ATOM 389 C CYS A 23 10.258 -1.063 4.720 1.00 5.92 C ATOM 390 O CYS A 23 9.927 -0.348 5.653 1.00 8.07 O ATOM 391 CB CYS A 23 11.721 -0.107 2.953 1.00 9.96 C ATOM 392 SG CYS A 23 13.309 0.729 2.703 1.00 9.46 S ATOM 393 HA CYS A 23 12.308 -0.635 4.992 1.00 0.00 H ATOM 394 HB2 CYS A 23 10.947 0.652 3.069 1.00 0.00 H ATOM 395 HB3 CYS A 23 11.507 -0.710 2.070 1.00 0.00 H ATOM 396 H CYS A 23 12.578 -2.529 2.884 1.00 0.00 H ATOM 397 N THR A 24 9.402 -1.891 4.135 1.00 9.31 N ATOM 398 CA THR A 24 8.019 -1.956 4.591 1.00 11.42 C ATOM 399 C THR A 24 7.943 -2.258 6.090 1.00 11.87 C ATOM 400 O THR A 24 7.183 -1.620 6.822 1.00 12.89 O ATOM 401 CB THR A 24 7.219 -3.007 3.799 1.00 13.08 C ATOM 402 OG1 THR A 24 7.031 -2.547 2.452 1.00 9.94 O ATOM 403 CG2 THR A 24 5.854 -3.232 4.445 1.00 12.77 C ATOM 404 HA THR A 24 7.574 -0.977 4.413 1.00 0.00 H ATOM 405 HB THR A 24 7.774 -3.945 3.800 1.00 0.00 H ATOM 406 HG1 THR A 24 6.517 -3.222 1.943 1.00 0.00 H ATOM 407 HG23 THR A 24 5.991 -3.581 5.468 1.00 0.00 H ATOM 408 HG21 THR A 24 5.297 -2.295 4.451 1.00 0.00 H ATOM 409 HG22 THR A 24 5.303 -3.980 3.875 1.00 0.00 H ATOM 410 H THR A 24 9.718 -2.495 3.350 1.00 0.00 H ATOM 411 N ASN A 25 8.737 -3.217 6.549 1.00 10.70 N ATOM 412 CA ASN A 25 8.753 -3.570 7.965 1.00 12.46 C ATOM 413 C ASN A 25 9.489 -2.526 8.813 1.00 11.31 C ATOM 414 O ASN A 25 9.026 -2.167 9.898 1.00 13.75 O ATOM 415 CB ASN A 25 9.398 -4.942 8.142 1.00 15.01 C ATOM 416 CG ASN A 25 8.716 -6.004 7.311 1.00 22.36 C ATOM 417 OD1 ASN A 25 9.367 -6.893 6.761 1.00 28.46 O ATOM 418 ND2 ASN A 25 7.389 -5.914 7.207 1.00 25.92 N ATOM 419 HA ASN A 25 7.721 -3.598 8.314 1.00 0.00 H ATOM 420 HB2 ASN A 25 10.444 -4.880 7.843 1.00 0.00 H ATOM 421 HB3 ASN A 25 9.338 -5.226 9.193 1.00 0.00 H ATOM 422 HD22 ASN A 25 6.881 -5.146 7.689 1.00 0.00 H ATOM 423 HD21 ASN A 25 6.863 -6.612 6.644 1.00 0.00 H ATOM 424 H ASN A 25 9.359 -3.726 5.888 1.00 0.00 H ATOM 425 N ALA A 26 10.641 -2.060 8.325 1.00 10.20 N ATOM 426 CA ALA A 26 11.423 -1.044 9.035 1.00 9.51 C ATOM 427 C ALA A 26 10.594 0.234 9.251 1.00 9.81 C ATOM 428 O ALA A 26 10.607 0.833 10.337 1.00 8.74 O ATOM 429 CB ALA A 26 12.705 -0.712 8.236 1.00 6.90 C ATOM 430 HA ALA A 26 11.699 -1.443 10.011 1.00 0.00 H ATOM 431 HB1 ALA A 26 13.305 -1.615 8.124 1.00 0.00 H ATOM 432 HB2 ALA A 26 12.430 -0.332 7.252 1.00 0.00 H ATOM 433 HB3 ALA A 26 13.280 0.044 8.771 1.00 0.00 H ATOM 434 H ALA A 26 10.992 -2.427 7.418 1.00 0.00 H ATOM 435 N MET A 27 9.867 0.645 8.214 1.00 10.38 N ATOM 436 CA MET A 27 9.056 1.864 8.279 1.00 10.44 C ATOM 437 C MET A 27 7.861 1.790 9.226 1.00 11.10 C ATOM 438 O MET A 27 7.360 2.820 9.661 1.00 9.49 O ATOM 439 CB MET A 27 8.580 2.269 6.875 1.00 9.21 C ATOM 440 CG MET A 27 9.714 2.795 5.964 1.00 8.84 C ATOM 441 SD MET A 27 10.699 4.177 6.620 1.00 9.89 S ATOM 442 CE MET A 27 9.424 5.405 6.899 1.00 7.77 C ATOM 443 HA MET A 27 9.719 2.623 8.694 1.00 0.00 H ATOM 444 HB2 MET A 27 8.131 1.398 6.398 1.00 0.00 H ATOM 445 HB3 MET A 27 7.829 3.052 6.978 1.00 0.00 H ATOM 446 HG2 MET A 27 9.263 3.123 5.028 1.00 0.00 H ATOM 447 HG3 MET A 27 10.394 1.966 5.767 1.00 0.00 H ATOM 448 HE1 MET A 27 8.928 5.633 5.955 1.00 0.00 H ATOM 449 HE2 MET A 27 8.695 5.015 7.609 1.00 0.00 H ATOM 450 HE3 MET A 27 9.876 6.311 7.302 1.00 0.00 H ATOM 451 H MET A 27 9.875 0.087 7.336 1.00 0.00 H ATOM 452 N GLN A 28 7.407 0.583 9.556 1.00 12.02 N ATOM 453 CA GLN A 28 6.272 0.448 10.462 1.00 12.53 C ATOM 454 C GLN A 28 6.615 1.076 11.808 1.00 12.32 C ATOM 455 O GLN A 28 5.767 1.686 12.458 1.00 11.60 O ATOM 456 CB GLN A 28 5.915 -1.024 10.658 1.00 15.98 C ATOM 457 CG GLN A 28 5.176 -1.628 9.481 1.00 20.22 C ATOM 458 CD GLN A 28 4.959 -3.124 9.638 1.00 28.05 C ATOM 459 OE1 GLN A 28 5.666 -3.792 10.402 1.00 31.10 O ATOM 460 NE2 GLN A 28 3.977 -3.663 8.912 1.00 29.95 N ATOM 461 HA GLN A 28 5.414 0.960 10.027 1.00 0.00 H ATOM 462 HB2 GLN A 28 6.837 -1.585 10.812 1.00 0.00 H ATOM 463 HB3 GLN A 28 5.285 -1.112 11.543 1.00 0.00 H ATOM 464 HG2 GLN A 28 4.205 -1.141 9.390 1.00 0.00 H ATOM 465 HG3 GLN A 28 5.756 -1.451 8.575 1.00 0.00 H ATOM 466 HE22 GLN A 28 3.407 -3.063 8.282 1.00 0.00 H ATOM 467 HE21 GLN A 28 3.782 -4.683 8.976 1.00 0.00 H ATOM 468 H GLN A 28 7.863 -0.267 9.167 1.00 0.00 H ATOM 469 N VAL A 29 7.869 0.925 12.218 1.00 12.94 N ATOM 470 CA VAL A 29 8.332 1.486 13.480 1.00 10.76 C ATOM 471 C VAL A 29 8.168 3.015 13.456 1.00 9.95 C ATOM 472 O VAL A 29 7.535 3.599 14.334 1.00 8.87 O ATOM 473 CB VAL A 29 9.811 1.128 13.713 1.00 10.49 C ATOM 474 CG1 VAL A 29 10.332 1.835 14.942 1.00 7.45 C ATOM 475 CG2 VAL A 29 9.965 -0.377 13.828 1.00 7.22 C ATOM 476 HA VAL A 29 7.736 1.068 14.291 1.00 0.00 H ATOM 477 HB VAL A 29 10.404 1.464 12.862 1.00 0.00 H ATOM 478 HG11 VAL A 29 10.243 2.913 14.805 1.00 0.00 H ATOM 479 HG12 VAL A 29 9.749 1.528 15.811 1.00 0.00 H ATOM 480 HG13 VAL A 29 11.379 1.572 15.094 1.00 0.00 H ATOM 481 HG21 VAL A 29 9.370 -0.739 14.667 1.00 0.00 H ATOM 482 HG22 VAL A 29 9.621 -0.848 12.907 1.00 0.00 H ATOM 483 HG23 VAL A 29 11.014 -0.622 13.993 1.00 0.00 H ATOM 484 H VAL A 29 8.537 0.393 11.624 1.00 0.00 H ATOM 485 N ILE A 30 8.729 3.655 12.436 1.00 8.08 N ATOM 486 CA ILE A 30 8.650 5.105 12.302 1.00 8.43 C ATOM 487 C ILE A 30 7.201 5.603 12.195 1.00 9.84 C ATOM 488 O ILE A 30 6.799 6.563 12.873 1.00 10.06 O ATOM 489 CB ILE A 30 9.411 5.575 11.037 1.00 6.41 C ATOM 490 CG1 ILE A 30 10.911 5.315 11.203 1.00 6.47 C ATOM 491 CG2 ILE A 30 9.113 7.056 10.761 1.00 6.14 C ATOM 492 CD1 ILE A 30 11.716 5.588 9.945 1.00 6.32 C ATOM 493 HA ILE A 30 9.101 5.521 13.203 1.00 0.00 H ATOM 494 HB ILE A 30 9.070 5.005 10.173 1.00 0.00 H ATOM 495 HG12 ILE A 30 11.287 5.957 12.000 1.00 0.00 H ATOM 496 HG13 ILE A 30 11.052 4.271 11.483 1.00 0.00 H ATOM 497 HD11 ILE A 30 11.360 4.945 9.140 1.00 0.00 H ATOM 498 HD12 ILE A 30 11.595 6.632 9.657 1.00 0.00 H ATOM 499 HD13 ILE A 30 12.769 5.382 10.137 1.00 0.00 H ATOM 500 HG21 ILE A 30 8.042 7.187 10.604 1.00 0.00 H ATOM 501 HG22 ILE A 30 9.432 7.655 11.614 1.00 0.00 H ATOM 502 HG23 ILE A 30 9.654 7.374 9.870 1.00 0.00 H ATOM 503 H ILE A 30 9.238 3.107 11.713 1.00 0.00 H ATOM 504 N ASN A 31 6.435 4.942 11.333 1.00 8.93 N ATOM 505 CA ASN A 31 5.049 5.296 11.076 1.00 10.38 C ATOM 506 C ASN A 31 4.140 5.059 12.267 1.00 11.81 C ATOM 507 O ASN A 31 3.223 5.845 12.505 1.00 12.78 O ATOM 508 CB ASN A 31 4.526 4.536 9.848 1.00 8.87 C ATOM 509 CG ASN A 31 5.254 4.923 8.557 1.00 8.37 C ATOM 510 OD1 ASN A 31 5.899 5.981 8.474 1.00 10.82 O ATOM 511 ND2 ASN A 31 5.146 4.067 7.538 1.00 9.54 N ATOM 512 HA ASN A 31 5.032 6.368 10.881 1.00 0.00 H ATOM 513 HB2 ASN A 31 4.659 3.467 10.017 1.00 0.00 H ATOM 514 HB3 ASN A 31 3.465 4.754 9.729 1.00 0.00 H ATOM 515 HD22 ASN A 31 4.596 3.192 7.650 1.00 0.00 H ATOM 516 HD21 ASN A 31 5.612 4.276 6.632 1.00 0.00 H ATOM 517 H ASN A 31 6.846 4.136 10.820 1.00 0.00 H ATOM 518 N ASN A 32 4.395 3.997 13.025 1.00 12.76 N ATOM 519 CA ASN A 32 3.561 3.711 14.191 1.00 14.26 C ATOM 520 C ASN A 32 3.827 4.750 15.276 1.00 13.54 C ATOM 521 O ASN A 32 2.967 5.041 16.104 1.00 13.61 O ATOM 522 CB ASN A 32 3.847 2.301 14.725 1.00 13.93 C ATOM 523 CG ASN A 32 3.119 1.222 13.934 1.00 19.13 C ATOM 524 OD1 ASN A 32 2.175 1.518 13.190 1.00 20.49 O ATOM 525 ND2 ASN A 32 3.551 -0.036 14.087 1.00 18.44 N ATOM 526 HA ASN A 32 2.513 3.758 13.897 1.00 0.00 H ATOM 527 HB2 ASN A 32 4.919 2.115 14.666 1.00 0.00 H ATOM 528 HB3 ASN A 32 3.527 2.249 15.766 1.00 0.00 H ATOM 529 HD22 ASN A 32 4.348 -0.238 14.723 1.00 0.00 H ATOM 530 HD21 ASN A 32 3.089 -0.811 13.569 1.00 0.00 H ATOM 531 H ASN A 32 5.189 3.369 12.788 1.00 0.00 H ATOM 532 N TYR A 33 5.027 5.313 15.254 1.00 12.61 N ATOM 533 CA TYR A 33 5.411 6.311 16.231 1.00 13.31 C ATOM 534 C TYR A 33 4.901 7.703 15.886 1.00 14.99 C ATOM 535 O TYR A 33 4.425 8.414 16.769 1.00 14.76 O ATOM 536 CB TYR A 33 6.932 6.345 16.377 1.00 10.36 C ATOM 537 CG TYR A 33 7.452 5.438 17.462 1.00 11.63 C ATOM 538 CD1 TYR A 33 6.777 5.324 18.686 1.00 14.90 C ATOM 539 CD2 TYR A 33 8.615 4.688 17.278 1.00 8.49 C ATOM 540 CE1 TYR A 33 7.244 4.484 19.699 1.00 13.60 C ATOM 541 CE2 TYR A 33 9.094 3.845 18.278 1.00 9.47 C ATOM 542 CZ TYR A 33 8.403 3.745 19.488 1.00 12.85 C ATOM 543 OH TYR A 33 8.847 2.892 20.478 1.00 12.34 O ATOM 544 HA TYR A 33 4.948 6.021 17.174 1.00 0.00 H ATOM 545 HB3 TYR A 33 7.234 7.367 16.607 1.00 0.00 H ATOM 546 HB2 TYR A 33 7.377 6.040 15.430 1.00 0.00 H ATOM 547 HD2 TYR A 33 9.158 4.763 16.336 1.00 0.00 H ATOM 548 HE2 TYR A 33 10.004 3.266 18.117 1.00 0.00 H ATOM 549 HE1 TYR A 33 6.706 4.408 20.644 1.00 0.00 H ATOM 550 HD1 TYR A 33 5.868 5.903 18.850 1.00 0.00 H ATOM 551 HH TYR A 33 8.241 2.950 21.258 1.00 0.00 H ATOM 552 H TYR A 33 5.707 5.032 14.519 1.00 0.00 H ATOM 553 N GLN A 34 4.987 8.098 14.617 1.00 14.90 N ATOM 554 CA GLN A 34 4.533 9.434 14.229 1.00 17.28 C ATOM 555 C GLN A 34 3.092 9.507 13.695 1.00 16.38 C ATOM 556 O GLN A 34 2.645 10.560 13.238 1.00 15.59 O ATOM 557 CB GLN A 34 5.525 10.069 13.233 1.00 16.84 C ATOM 558 CG GLN A 34 5.704 9.349 11.912 1.00 24.26 C ATOM 559 CD GLN A 34 6.455 10.189 10.864 1.00 25.35 C ATOM 560 OE1 GLN A 34 6.183 10.086 9.660 1.00 28.73 O ATOM 561 NE2 GLN A 34 7.397 11.017 11.318 1.00 22.06 N ATOM 562 HA GLN A 34 4.512 10.011 15.154 1.00 0.00 H ATOM 563 HB2 GLN A 34 5.178 11.079 13.016 1.00 0.00 H ATOM 564 HB3 GLN A 34 6.499 10.118 13.720 1.00 0.00 H ATOM 565 HG2 GLN A 34 6.266 8.432 12.090 1.00 0.00 H ATOM 566 HG3 GLN A 34 4.719 9.099 11.516 1.00 0.00 H ATOM 567 HE22 GLN A 34 7.593 11.072 12.338 1.00 0.00 H ATOM 568 HE21 GLN A 34 7.935 11.607 10.652 1.00 0.00 H ATOM 569 H GLN A 34 5.378 7.455 13.899 1.00 0.00 H ATOM 570 N ARG A 35 2.378 8.385 13.772 1.00 15.14 N ATOM 571 CA ARG A 35 0.981 8.296 13.352 1.00 17.54 C ATOM 572 C ARG A 35 0.703 8.841 11.956 1.00 20.29 C ATOM 573 O ARG A 35 -0.191 9.670 11.751 1.00 19.74 O ATOM 574 CB ARG A 35 0.092 9.009 14.378 1.00 14.70 C ATOM 575 CG ARG A 35 0.432 8.639 15.814 1.00 12.31 C ATOM 576 CD ARG A 35 0.532 7.112 15.990 1.00 11.70 C ATOM 577 NE ARG A 35 -0.753 6.457 15.744 1.00 11.29 N ATOM 578 CZ ARG A 35 -0.913 5.159 15.523 1.00 12.60 C ATOM 579 NH1 ARG A 35 0.128 4.342 15.511 1.00 11.63 N ATOM 580 NH2 ARG A 35 -2.126 4.671 15.311 1.00 15.06 N ATOM 581 HA ARG A 35 0.748 7.232 13.303 1.00 0.00 H ATOM 582 HB2 ARG A 35 0.215 10.085 14.257 1.00 0.00 H ATOM 583 HB3 ARG A 35 -0.947 8.740 14.186 1.00 0.00 H ATOM 584 HG2 ARG A 35 1.387 9.091 16.081 1.00 0.00 H ATOM 585 HG3 ARG A 35 -0.346 9.022 16.474 1.00 0.00 H ATOM 586 HD2 ARG A 35 0.852 6.893 17.009 1.00 0.00 H ATOM 587 HD3 ARG A 35 1.269 6.722 15.288 1.00 0.00 H ATOM 588 HE ARG A 35 -1.605 7.054 15.742 1.00 0.00 H ATOM 589 HH12 ARG A 35 -0.010 3.326 15.337 1.00 0.00 H ATOM 590 HH11 ARG A 35 1.084 4.716 15.676 1.00 0.00 H ATOM 591 HH22 ARG A 35 -2.254 3.654 15.137 1.00 0.00 H ATOM 592 HH21 ARG A 35 -2.950 5.305 15.318 1.00 0.00 H ATOM 593 H ARG A 35 2.837 7.531 14.149 1.00 0.00 H ATOM 594 N ARG A 36 1.483 8.362 10.998 1.00 20.54 N ATOM 595 CA ARG A 36 1.340 8.766 9.614 1.00 23.46 C ATOM 596 C ARG A 36 2.468 8.092 8.875 1.00 23.66 C ATOM 597 O ARG A 36 3.553 7.889 9.429 1.00 22.65 O ATOM 598 CB ARG A 36 1.429 10.294 9.472 1.00 26.86 C ATOM 599 CG ARG A 36 2.622 10.809 8.686 1.00 31.51 C ATOM 600 CD ARG A 36 2.840 12.299 8.930 1.00 36.34 C ATOM 601 NE ARG A 36 4.261 12.636 8.913 1.00 41.31 N ATOM 602 CZ ARG A 36 5.036 12.545 7.836 1.00 42.84 C ATOM 603 NH1 ARG A 36 6.321 12.870 7.907 1.00 41.59 N ATOM 604 NH2 ARG A 36 4.522 12.132 6.681 1.00 46.29 N ATOM 605 HA ARG A 36 0.368 8.478 9.214 1.00 0.00 H ATOM 606 HB2 ARG A 36 0.523 10.638 8.973 1.00 0.00 H ATOM 607 HB3 ARG A 36 1.476 10.722 10.473 1.00 0.00 H ATOM 608 HG2 ARG A 36 3.514 10.263 8.994 1.00 0.00 H ATOM 609 HG3 ARG A 36 2.446 10.644 7.623 1.00 0.00 H ATOM 610 HD2 ARG A 36 2.423 12.565 9.901 1.00 0.00 H ATOM 611 HD3 ARG A 36 2.331 12.865 8.150 1.00 0.00 H ATOM 612 HE ARG A 36 4.694 12.968 9.798 1.00 0.00 H ATOM 613 HH12 ARG A 36 6.923 12.797 7.062 1.00 0.00 H ATOM 614 HH11 ARG A 36 6.726 13.197 8.807 1.00 0.00 H ATOM 615 HH22 ARG A 36 5.127 12.061 5.838 1.00 0.00 H ATOM 616 HH21 ARG A 36 3.515 11.880 6.620 1.00 0.00 H ATOM 617 H ARG A 36 2.222 7.674 11.248 1.00 0.00 H ATOM 618 N CYS A 37 2.201 7.716 7.632 1.00 21.08 N ATOM 619 CA CYS A 37 3.212 7.062 6.831 1.00 21.26 C ATOM 620 C CYS A 37 4.151 8.077 6.189 1.00 20.15 C ATOM 621 O CYS A 37 3.754 8.841 5.301 1.00 21.38 O ATOM 622 CB CYS A 37 2.536 6.190 5.774 1.00 20.08 C ATOM 623 SG CYS A 37 1.647 4.799 6.550 1.00 21.96 S ATOM 624 HA CYS A 37 3.820 6.429 7.478 1.00 0.00 H ATOM 625 HB2 CYS A 37 3.294 5.796 5.097 1.00 0.00 H ATOM 626 HB3 CYS A 37 1.827 6.797 5.210 1.00 0.00 H ATOM 627 H CYS A 37 1.258 7.893 7.230 1.00 0.00 H ATOM 628 N LYS A 38 5.393 8.096 6.665 1.00 17.22 N ATOM 629 CA LYS A 38 6.402 9.003 6.133 1.00 16.75 C ATOM 630 C LYS A 38 6.636 8.652 4.662 1.00 17.41 C ATOM 631 O LYS A 38 6.865 7.490 4.314 1.00 15.90 O ATOM 632 CB LYS A 38 7.695 8.860 6.934 1.00 14.63 C ATOM 633 CG LYS A 38 8.650 10.017 6.771 1.00 14.34 C ATOM 634 CD LYS A 38 9.905 9.798 7.606 1.00 11.66 C ATOM 635 CE LYS A 38 10.948 10.893 7.399 1.00 9.89 C ATOM 636 NZ LYS A 38 12.140 10.686 8.276 1.00 11.83 N ATOM 637 HA LYS A 38 6.066 10.037 6.212 1.00 0.00 H ATOM 638 HB2 LYS A 38 7.437 8.775 7.990 1.00 0.00 H ATOM 639 HB3 LYS A 38 8.200 7.950 6.610 1.00 0.00 H ATOM 640 HG2 LYS A 38 8.929 10.106 5.721 1.00 0.00 H ATOM 641 HG3 LYS A 38 8.160 10.935 7.095 1.00 0.00 H ATOM 642 HD2 LYS A 38 9.625 9.778 8.659 1.00 0.00 H ATOM 643 HD3 LYS A 38 10.345 8.840 7.330 1.00 0.00 H ATOM 644 HE2 LYS A 38 10.499 11.859 7.632 1.00 0.00 H ATOM 645 HE3 LYS A 38 11.269 10.885 6.357 1.00 0.00 H ATOM 646 HZ1 LYS A 38 11.842 10.698 9.272 1.00 0.00 H ATOM 647 HZ2 LYS A 38 12.577 9.768 8.055 1.00 0.00 H ATOM 648 HZ3 LYS A 38 12.828 11.448 8.109 1.00 0.00 H ATOM 649 H LYS A 38 5.650 7.447 7.436 1.00 0.00 H ATOM 650 N ASN A 39 6.578 9.652 3.795 1.00 17.40 N ATOM 651 CA ASN A 39 6.758 9.393 2.375 1.00 19.26 C ATOM 652 C ASN A 39 8.139 8.890 1.951 1.00 18.02 C ATOM 653 O ASN A 39 8.265 8.048 1.051 1.00 15.55 O ATOM 654 CB ASN A 39 6.419 10.640 1.569 1.00 19.90 C ATOM 655 CG ASN A 39 6.008 10.300 0.175 1.00 23.99 C ATOM 656 OD1 ASN A 39 6.695 10.637 -0.789 1.00 29.61 O ATOM 657 ND2 ASN A 39 4.888 9.598 0.049 1.00 24.54 N ATOM 658 HA ASN A 39 6.073 8.571 2.166 1.00 0.00 H ATOM 659 HB2 ASN A 39 5.601 11.167 2.060 1.00 0.00 H ATOM 660 HB3 ASN A 39 7.296 11.286 1.532 1.00 0.00 H ATOM 661 HD22 ASN A 39 4.341 9.336 0.894 1.00 0.00 H ATOM 662 HD21 ASN A 39 4.558 9.310 -0.894 1.00 0.00 H ATOM 663 H ASN A 39 6.404 10.621 4.129 1.00 0.00 H ATOM 664 N GLN A 40 9.169 9.410 2.605 1.00 18.01 N ATOM 665 CA GLN A 40 10.544 9.041 2.295 1.00 19.01 C ATOM 666 C GLN A 40 11.450 9.061 3.532 1.00 17.07 C ATOM 667 O GLN A 40 11.391 9.981 4.356 1.00 18.46 O ATOM 668 CB GLN A 40 11.103 10.000 1.246 1.00 20.77 C ATOM 669 CG GLN A 40 11.722 9.291 0.074 1.00 29.33 C ATOM 670 CD GLN A 40 11.733 10.133 -1.175 1.00 30.68 C ATOM 671 OE1 GLN A 40 12.778 10.320 -1.802 1.00 31.45 O ATOM 672 NE2 GLN A 40 10.565 10.647 -1.552 1.00 34.40 N ATOM 673 HA GLN A 40 10.529 8.019 1.915 1.00 0.00 H ATOM 674 HB2 GLN A 40 10.291 10.630 0.882 1.00 0.00 H ATOM 675 HB3 GLN A 40 11.863 10.625 1.716 1.00 0.00 H ATOM 676 HG2 GLN A 40 12.749 9.029 0.327 1.00 0.00 H ATOM 677 HG3 GLN A 40 11.155 8.382 -0.123 1.00 0.00 H ATOM 678 HE22 GLN A 40 9.710 10.461 -0.990 1.00 0.00 H ATOM 679 HE21 GLN A 40 10.507 11.234 -2.408 1.00 0.00 H ATOM 680 H GLN A 40 8.990 10.101 3.361 1.00 0.00 H ATOM 681 N ASN A 41 12.299 8.050 3.653 1.00 12.72 N ATOM 682 CA ASN A 41 13.203 7.978 4.789 1.00 9.64 C ATOM 683 C ASN A 41 14.449 7.158 4.476 1.00 9.78 C ATOM 684 O ASN A 41 14.369 6.052 3.933 1.00 10.11 O ATOM 685 CB ASN A 41 12.480 7.379 5.993 1.00 11.35 C ATOM 686 CG ASN A 41 13.347 7.377 7.238 1.00 11.70 C ATOM 687 OD1 ASN A 41 13.574 8.427 7.850 1.00 9.90 O ATOM 688 ND2 ASN A 41 13.845 6.201 7.614 1.00 12.01 N ATOM 689 HA ASN A 41 13.524 8.994 5.018 1.00 0.00 H ATOM 690 HB2 ASN A 41 11.582 7.964 6.191 1.00 0.00 H ATOM 691 HB3 ASN A 41 12.199 6.352 5.759 1.00 0.00 H ATOM 692 HD22 ASN A 41 13.626 5.344 7.067 1.00 0.00 H ATOM 693 HD21 ASN A 41 14.453 6.139 8.455 1.00 0.00 H ATOM 694 H ASN A 41 12.318 7.303 2.930 1.00 0.00 H ATOM 695 N THR A 42 15.599 7.712 4.835 1.00 7.95 N ATOM 696 CA THR A 42 16.887 7.076 4.610 1.00 9.98 C ATOM 697 C THR A 42 17.468 6.448 5.881 1.00 9.44 C ATOM 698 O THR A 42 17.514 7.076 6.946 1.00 9.14 O ATOM 699 CB THR A 42 17.923 8.113 4.066 1.00 10.79 C ATOM 700 OG1 THR A 42 17.433 8.684 2.847 1.00 15.69 O ATOM 701 CG2 THR A 42 19.270 7.467 3.810 1.00 8.41 C ATOM 702 HA THR A 42 16.708 6.285 3.881 1.00 0.00 H ATOM 703 HB THR A 42 18.053 8.889 4.821 1.00 0.00 H ATOM 704 HG1 THR A 42 17.301 7.967 2.178 1.00 0.00 H ATOM 705 HG23 THR A 42 19.645 7.032 4.736 1.00 0.00 H ATOM 706 HG21 THR A 42 19.160 6.685 3.058 1.00 0.00 H ATOM 707 HG22 THR A 42 19.971 8.221 3.452 1.00 0.00 H ATOM 708 H THR A 42 15.579 8.643 5.298 1.00 0.00 H ATOM 709 N PHE A 43 17.902 5.200 5.762 1.00 8.83 N ATOM 710 CA PHE A 43 18.543 4.510 6.869 1.00 9.15 C ATOM 711 C PHE A 43 20.017 4.422 6.499 1.00 9.23 C ATOM 712 O PHE A 43 20.365 3.829 5.473 1.00 8.80 O ATOM 713 CB PHE A 43 17.991 3.090 7.042 1.00 8.03 C ATOM 714 CG PHE A 43 16.640 3.035 7.692 1.00 8.33 C ATOM 715 CD1 PHE A 43 16.513 3.117 9.084 1.00 7.86 C ATOM 716 CD2 PHE A 43 15.485 2.863 6.916 1.00 7.53 C ATOM 717 CE1 PHE A 43 15.257 3.023 9.704 1.00 9.41 C ATOM 718 CE2 PHE A 43 14.223 2.766 7.520 1.00 8.97 C ATOM 719 CZ PHE A 43 14.109 2.848 8.923 1.00 8.17 C ATOM 720 HA PHE A 43 18.368 5.043 7.803 1.00 0.00 H ATOM 721 HB2 PHE A 43 17.917 2.629 6.057 1.00 0.00 H ATOM 722 HB3 PHE A 43 18.690 2.523 7.656 1.00 0.00 H ATOM 723 HD2 PHE A 43 15.569 2.804 5.831 1.00 0.00 H ATOM 724 HE2 PHE A 43 13.333 2.628 6.907 1.00 0.00 H ATOM 725 HZ PHE A 43 13.130 2.775 9.398 1.00 0.00 H ATOM 726 HE1 PHE A 43 15.176 3.086 10.789 1.00 0.00 H ATOM 727 HD1 PHE A 43 17.404 3.256 9.696 1.00 0.00 H ATOM 728 H PHE A 43 17.781 4.704 4.856 1.00 0.00 H ATOM 729 N LEU A 44 20.878 5.026 7.315 1.00 9.14 N ATOM 730 CA LEU A 44 22.319 4.986 7.076 1.00 9.91 C ATOM 731 C LEU A 44 22.888 3.690 7.674 1.00 12.40 C ATOM 732 O LEU A 44 22.693 3.407 8.858 1.00 13.35 O ATOM 733 CB LEU A 44 23.002 6.185 7.732 1.00 7.72 C ATOM 734 CG LEU A 44 22.404 7.533 7.328 1.00 6.64 C ATOM 735 CD1 LEU A 44 23.143 8.671 8.031 1.00 6.16 C ATOM 736 CD2 LEU A 44 22.486 7.665 5.814 1.00 8.76 C ATOM 737 HA LEU A 44 22.504 5.020 6.002 1.00 0.00 H ATOM 738 HB2 LEU A 44 22.916 6.081 8.814 1.00 0.00 H ATOM 739 HB3 LEU A 44 24.055 6.178 7.450 1.00 0.00 H ATOM 740 HG LEU A 44 21.359 7.590 7.632 1.00 0.00 H ATOM 741 HD21 LEU A 44 23.529 7.612 5.502 1.00 0.00 H ATOM 742 HD22 LEU A 44 21.925 6.855 5.349 1.00 0.00 H ATOM 743 HD23 LEU A 44 22.063 8.623 5.511 1.00 0.00 H ATOM 744 HD11 LEU A 44 23.052 8.549 9.110 1.00 0.00 H ATOM 745 HD12 LEU A 44 24.196 8.648 7.749 1.00 0.00 H ATOM 746 HD13 LEU A 44 22.706 9.624 7.734 1.00 0.00 H ATOM 747 H LEU A 44 20.516 5.539 8.144 1.00 0.00 H ATOM 748 N LEU A 45 23.577 2.892 6.864 1.00 11.11 N ATOM 749 CA LEU A 45 24.151 1.665 7.392 1.00 11.87 C ATOM 750 C LEU A 45 25.487 2.027 8.038 1.00 10.69 C ATOM 751 O LEU A 45 26.569 1.776 7.493 1.00 11.69 O ATOM 752 CB LEU A 45 24.317 0.628 6.268 1.00 12.70 C ATOM 753 CG LEU A 45 22.995 0.235 5.582 1.00 14.03 C ATOM 754 CD1 LEU A 45 23.210 -0.999 4.724 1.00 13.29 C ATOM 755 CD2 LEU A 45 21.930 -0.024 6.622 1.00 13.43 C ATOM 756 HA LEU A 45 23.498 1.213 8.138 1.00 0.00 H ATOM 757 HB2 LEU A 45 24.985 1.043 5.514 1.00 0.00 H ATOM 758 HB3 LEU A 45 24.764 -0.271 6.693 1.00 0.00 H ATOM 759 HG LEU A 45 22.664 1.054 4.943 1.00 0.00 H ATOM 760 HD21 LEU A 45 22.251 -0.836 7.275 1.00 0.00 H ATOM 761 HD22 LEU A 45 21.774 0.879 7.213 1.00 0.00 H ATOM 762 HD23 LEU A 45 21.000 -0.301 6.126 1.00 0.00 H ATOM 763 HD11 LEU A 45 23.962 -0.785 3.964 1.00 0.00 H ATOM 764 HD12 LEU A 45 23.550 -1.822 5.352 1.00 0.00 H ATOM 765 HD13 LEU A 45 22.272 -1.272 4.241 1.00 0.00 H ATOM 766 H LEU A 45 23.704 3.143 5.863 1.00 0.00 H ATOM 767 N THR A 46 25.384 2.642 9.210 1.00 11.38 N ATOM 768 CA THR A 46 26.538 3.087 9.973 1.00 10.91 C ATOM 769 C THR A 46 26.101 3.088 11.426 1.00 12.48 C ATOM 770 O THR A 46 24.936 2.822 11.722 1.00 12.78 O ATOM 771 CB THR A 46 26.960 4.533 9.570 1.00 12.97 C ATOM 772 OG1 THR A 46 28.246 4.833 10.133 1.00 11.25 O ATOM 773 CG2 THR A 46 25.915 5.563 10.065 1.00 9.07 C ATOM 774 HA THR A 46 27.391 2.433 9.790 1.00 0.00 H ATOM 775 HB THR A 46 27.016 4.593 8.483 1.00 0.00 H ATOM 776 HG1 THR A 46 28.914 4.187 9.791 1.00 0.00 H ATOM 777 HG23 THR A 46 24.942 5.328 9.633 1.00 0.00 H ATOM 778 HG21 THR A 46 25.851 5.520 11.152 1.00 0.00 H ATOM 779 HG22 THR A 46 26.219 6.563 9.757 1.00 0.00 H ATOM 780 H THR A 46 24.435 2.813 9.600 1.00 0.00 H ATOM 781 N THR A 47 27.035 3.393 12.323 1.00 11.45 N ATOM 782 CA THR A 47 26.744 3.434 13.747 1.00 11.18 C ATOM 783 C THR A 47 26.461 4.858 14.254 1.00 11.74 C ATOM 784 O THR A 47 26.850 5.859 13.636 1.00 11.02 O ATOM 785 CB THR A 47 27.918 2.865 14.568 1.00 10.22 C ATOM 786 OG1 THR A 47 28.994 3.810 14.563 1.00 8.13 O ATOM 787 CG2 THR A 47 28.397 1.528 13.988 1.00 11.49 C ATOM 788 HA THR A 47 25.849 2.826 13.882 1.00 0.00 H ATOM 789 HB THR A 47 27.581 2.689 15.589 1.00 0.00 H ATOM 790 HG1 THR A 47 28.686 4.661 14.966 1.00 0.00 H ATOM 791 HG23 THR A 47 27.573 0.814 13.995 1.00 0.00 H ATOM 792 HG21 THR A 47 28.739 1.679 12.964 1.00 0.00 H ATOM 793 HG22 THR A 47 29.218 1.144 14.594 1.00 0.00 H ATOM 794 H THR A 47 27.999 3.608 11.997 1.00 0.00 H ATOM 795 N PHE A 48 25.766 4.924 15.383 1.00 11.33 N ATOM 796 CA PHE A 48 25.431 6.185 16.009 1.00 9.94 C ATOM 797 C PHE A 48 26.730 6.919 16.362 1.00 9.27 C ATOM 798 O PHE A 48 26.859 8.125 16.123 1.00 9.21 O ATOM 799 CB PHE A 48 24.587 5.927 17.260 1.00 8.16 C ATOM 800 CG PHE A 48 24.076 7.179 17.912 1.00 9.81 C ATOM 801 CD1 PHE A 48 22.918 7.794 17.453 1.00 10.69 C ATOM 802 CD2 PHE A 48 24.762 7.751 18.990 1.00 11.11 C ATOM 803 CE1 PHE A 48 22.448 8.967 18.058 1.00 13.74 C ATOM 804 CE2 PHE A 48 24.300 8.921 19.604 1.00 11.07 C ATOM 805 CZ PHE A 48 23.147 9.531 19.141 1.00 11.48 C ATOM 806 HA PHE A 48 24.848 6.806 15.329 1.00 0.00 H ATOM 807 HB2 PHE A 48 23.732 5.312 16.978 1.00 0.00 H ATOM 808 HB3 PHE A 48 25.199 5.387 17.983 1.00 0.00 H ATOM 809 HD2 PHE A 48 25.672 7.277 19.358 1.00 0.00 H ATOM 810 HE2 PHE A 48 24.846 9.350 20.444 1.00 0.00 H ATOM 811 HZ PHE A 48 22.782 10.443 19.613 1.00 0.00 H ATOM 812 HE1 PHE A 48 21.540 9.443 17.689 1.00 0.00 H ATOM 813 HD1 PHE A 48 22.371 7.361 16.616 1.00 0.00 H ATOM 814 H PHE A 48 25.452 4.040 15.832 1.00 0.00 H ATOM 815 N ALA A 49 27.694 6.188 16.915 1.00 8.57 N ATOM 816 CA ALA A 49 28.983 6.775 17.284 1.00 8.64 C ATOM 817 C ALA A 49 29.694 7.371 16.056 1.00 9.97 C ATOM 818 O ALA A 49 30.331 8.434 16.151 1.00 9.64 O ATOM 819 CB ALA A 49 29.861 5.721 17.943 1.00 9.21 C ATOM 820 HA ALA A 49 28.802 7.585 17.991 1.00 0.00 H ATOM 821 HB1 ALA A 49 29.366 5.346 18.839 1.00 0.00 H ATOM 822 HB2 ALA A 49 30.025 4.899 17.246 1.00 0.00 H ATOM 823 HB3 ALA A 49 30.818 6.166 18.215 1.00 0.00 H ATOM 824 H ALA A 49 27.528 5.176 17.089 1.00 0.00 H ATOM 825 N ASN A 50 29.592 6.688 14.912 1.00 7.73 N ATOM 826 CA ASN A 50 30.190 7.162 13.660 1.00 8.07 C ATOM 827 C ASN A 50 29.582 8.521 13.297 1.00 8.54 C ATOM 828 O ASN A 50 30.296 9.448 12.913 1.00 6.26 O ATOM 829 CB ASN A 50 29.927 6.176 12.506 1.00 9.64 C ATOM 830 CG ASN A 50 30.893 4.985 12.507 1.00 9.20 C ATOM 831 OD1 ASN A 50 31.771 4.881 13.364 1.00 10.01 O ATOM 832 ND2 ASN A 50 30.729 4.087 11.544 1.00 8.71 N ATOM 833 HA ASN A 50 31.267 7.246 13.806 1.00 0.00 H ATOM 834 HB2 ASN A 50 28.909 5.798 12.596 1.00 0.00 H ATOM 835 HB3 ASN A 50 30.033 6.709 11.561 1.00 0.00 H ATOM 836 HD22 ASN A 50 29.975 4.212 10.839 1.00 0.00 H ATOM 837 HD21 ASN A 50 31.355 3.258 11.494 1.00 0.00 H ATOM 838 H ASN A 50 29.070 5.788 14.910 1.00 0.00 H ATOM 839 N VAL A 51 28.263 8.635 13.426 1.00 8.65 N ATOM 840 CA VAL A 51 27.594 9.890 13.113 1.00 8.93 C ATOM 841 C VAL A 51 27.969 10.985 14.118 1.00 8.77 C ATOM 842 O VAL A 51 28.179 12.143 13.735 1.00 7.71 O ATOM 843 CB VAL A 51 26.055 9.714 13.072 1.00 8.05 C ATOM 844 CG1 VAL A 51 25.379 11.001 12.555 1.00 7.26 C ATOM 845 CG2 VAL A 51 25.712 8.567 12.162 1.00 8.89 C ATOM 846 HA VAL A 51 27.933 10.196 12.123 1.00 0.00 H ATOM 847 HB VAL A 51 25.694 9.510 14.080 1.00 0.00 H ATOM 848 HG11 VAL A 51 25.624 11.830 13.218 1.00 0.00 H ATOM 849 HG12 VAL A 51 25.738 11.220 11.550 1.00 0.00 H ATOM 850 HG13 VAL A 51 24.299 10.859 12.533 1.00 0.00 H ATOM 851 HG21 VAL A 51 26.083 8.777 11.159 1.00 0.00 H ATOM 852 HG22 VAL A 51 26.175 7.655 12.539 1.00 0.00 H ATOM 853 HG23 VAL A 51 24.630 8.441 12.131 1.00 0.00 H ATOM 854 H VAL A 51 27.705 7.821 13.753 1.00 0.00 H ATOM 855 N VAL A 52 28.064 10.626 15.395 1.00 9.27 N ATOM 856 CA VAL A 52 28.428 11.611 16.423 1.00 8.85 C ATOM 857 C VAL A 52 29.788 12.182 16.062 1.00 10.57 C ATOM 858 O VAL A 52 30.024 13.399 16.198 1.00 11.64 O ATOM 859 CB VAL A 52 28.462 10.977 17.843 1.00 7.94 C ATOM 860 CG1 VAL A 52 29.251 11.846 18.807 1.00 9.92 C ATOM 861 CG2 VAL A 52 27.046 10.813 18.354 1.00 8.18 C ATOM 862 HA VAL A 52 27.676 12.399 16.450 1.00 0.00 H ATOM 863 HB VAL A 52 28.950 10.005 17.777 1.00 0.00 H ATOM 864 HG11 VAL A 52 30.274 11.951 18.445 1.00 0.00 H ATOM 865 HG12 VAL A 52 28.785 12.829 18.873 1.00 0.00 H ATOM 866 HG13 VAL A 52 29.259 11.379 19.792 1.00 0.00 H ATOM 867 HG21 VAL A 52 26.563 11.789 18.402 1.00 0.00 H ATOM 868 HG22 VAL A 52 26.490 10.164 17.678 1.00 0.00 H ATOM 869 HG23 VAL A 52 27.069 10.369 19.349 1.00 0.00 H ATOM 870 H VAL A 52 27.879 9.640 15.668 1.00 0.00 H ATOM 871 N ASN A 53 30.677 11.327 15.562 1.00 8.68 N ATOM 872 CA ASN A 53 31.987 11.820 15.189 1.00 9.82 C ATOM 873 C ASN A 53 31.949 12.727 13.957 1.00 8.27 C ATOM 874 O ASN A 53 32.749 13.651 13.850 1.00 10.31 O ATOM 875 CB ASN A 53 32.967 10.647 15.033 1.00 11.86 C ATOM 876 CG ASN A 53 33.560 10.223 16.380 1.00 14.78 C ATOM 877 OD1 ASN A 53 33.874 11.071 17.222 1.00 16.21 O ATOM 878 ND2 ASN A 53 33.703 8.920 16.591 1.00 16.19 N ATOM 879 HA ASN A 53 32.350 12.456 15.997 1.00 0.00 H ATOM 880 HB2 ASN A 53 32.438 9.800 14.597 1.00 0.00 H ATOM 881 HB3 ASN A 53 33.777 10.949 14.369 1.00 0.00 H ATOM 882 HD22 ASN A 53 33.426 8.240 15.854 1.00 0.00 H ATOM 883 HD21 ASN A 53 34.092 8.579 17.493 1.00 0.00 H ATOM 884 H ASN A 53 30.435 10.323 15.441 1.00 0.00 H ATOM 885 N VAL A 54 31.011 12.484 13.046 1.00 6.17 N ATOM 886 CA VAL A 54 30.866 13.326 11.862 1.00 7.72 C ATOM 887 C VAL A 54 30.403 14.707 12.331 1.00 8.32 C ATOM 888 O VAL A 54 30.651 15.713 11.660 1.00 7.78 O ATOM 889 CB VAL A 54 29.831 12.740 10.850 1.00 8.36 C ATOM 890 CG1 VAL A 54 29.475 13.777 9.771 1.00 6.02 C ATOM 891 CG2 VAL A 54 30.404 11.481 10.201 1.00 6.97 C ATOM 892 HA VAL A 54 31.823 13.381 11.343 1.00 0.00 H ATOM 893 HB VAL A 54 28.919 12.485 11.391 1.00 0.00 H ATOM 894 HG11 VAL A 54 29.044 14.659 10.245 1.00 0.00 H ATOM 895 HG12 VAL A 54 30.377 14.059 9.228 1.00 0.00 H ATOM 896 HG13 VAL A 54 28.753 13.345 9.078 1.00 0.00 H ATOM 897 HG21 VAL A 54 31.324 11.732 9.674 1.00 0.00 H ATOM 898 HG22 VAL A 54 30.616 10.741 10.972 1.00 0.00 H ATOM 899 HG23 VAL A 54 29.679 11.075 9.496 1.00 0.00 H ATOM 900 H VAL A 54 30.368 11.678 13.180 1.00 0.00 H ATOM 901 N CYS A 55 29.720 14.752 13.477 1.00 7.91 N ATOM 902 CA CYS A 55 29.276 16.032 14.044 1.00 7.67 C ATOM 903 C CYS A 55 30.517 16.840 14.377 1.00 7.54 C ATOM 904 O CYS A 55 30.440 18.040 14.580 1.00 7.67 O ATOM 905 CB CYS A 55 28.472 15.826 15.330 1.00 5.63 C ATOM 906 SG CYS A 55 26.807 15.107 15.101 1.00 11.04 S ATOM 907 HA CYS A 55 28.638 16.540 13.321 1.00 0.00 H ATOM 908 HB2 CYS A 55 28.357 16.795 15.815 1.00 0.00 H ATOM 909 HB3 CYS A 55 29.040 15.161 15.980 1.00 0.00 H ATOM 910 H CYS A 55 29.499 13.867 13.976 1.00 0.00 H ATOM 911 N GLY A 56 31.654 16.159 14.463 1.00 8.85 N ATOM 912 CA GLY A 56 32.910 16.819 14.773 1.00 8.73 C ATOM 913 C GLY A 56 33.610 17.396 13.557 1.00 9.62 C ATOM 914 O GLY A 56 34.615 18.093 13.694 1.00 7.40 O ATOM 915 HA3 GLY A 56 33.575 16.093 15.241 1.00 0.00 H ATOM 916 HA2 GLY A 56 32.710 17.630 15.473 1.00 0.00 H ATOM 917 H GLY A 56 31.645 15.131 14.305 1.00 0.00 H ATOM 918 N ASN A 57 33.095 17.107 12.362 1.00 9.65 N ATOM 919 CA ASN A 57 33.697 17.630 11.136 1.00 10.33 C ATOM 920 C ASN A 57 33.315 19.106 11.033 1.00 9.48 C ATOM 921 O ASN A 57 32.452 19.576 11.767 1.00 9.05 O ATOM 922 CB ASN A 57 33.227 16.823 9.913 1.00 10.74 C ATOM 923 CG ASN A 57 33.803 15.396 9.895 1.00 11.38 C ATOM 924 OD1 ASN A 57 34.729 15.077 10.651 1.00 12.42 O ATOM 925 ND2 ASN A 57 33.253 14.540 9.045 1.00 9.43 N ATOM 926 HA ASN A 57 34.783 17.536 11.163 1.00 0.00 H ATOM 927 HB2 ASN A 57 32.139 16.761 9.931 1.00 0.00 H ATOM 928 HB3 ASN A 57 33.545 17.341 9.008 1.00 0.00 H ATOM 929 HD22 ASN A 57 32.476 14.848 8.426 1.00 0.00 H ATOM 930 HD21 ASN A 57 33.599 13.560 8.997 1.00 0.00 H ATOM 931 H ASN A 57 32.252 16.500 12.301 1.00 0.00 H ATOM 932 N PRO A 58 33.942 19.854 10.123 1.00 10.11 N ATOM 933 CA PRO A 58 33.598 21.276 10.028 1.00 10.43 C ATOM 934 C PRO A 58 32.129 21.611 9.814 1.00 11.08 C ATOM 935 O PRO A 58 31.405 20.896 9.108 1.00 9.06 O ATOM 936 CB PRO A 58 34.481 21.787 8.889 1.00 8.51 C ATOM 937 CG PRO A 58 35.596 20.789 8.795 1.00 10.92 C ATOM 938 CD PRO A 58 34.974 19.472 9.149 1.00 10.24 C ATOM 939 HA PRO A 58 33.777 21.762 10.987 1.00 0.00 H ATOM 940 HD3 PRO A 58 34.532 18.998 8.273 1.00 0.00 H ATOM 941 HD2 PRO A 58 35.706 18.798 9.595 1.00 0.00 H ATOM 942 HG3 PRO A 58 36.392 21.037 9.497 1.00 0.00 H ATOM 943 HG2 PRO A 58 36.001 20.762 7.783 1.00 0.00 H ATOM 944 HB2 PRO A 58 33.920 21.826 7.955 1.00 0.00 H ATOM 945 HB3 PRO A 58 34.871 22.779 9.119 1.00 0.00 H ATOM 946 N ASN A 59 31.697 22.703 10.438 1.00 9.99 N ATOM 947 CA ASN A 59 30.323 23.170 10.300 1.00 10.28 C ATOM 948 C ASN A 59 30.127 23.638 8.862 1.00 11.03 C ATOM 949 O ASN A 59 31.035 24.197 8.252 1.00 12.56 O ATOM 950 CB ASN A 59 30.053 24.342 11.237 1.00 8.56 C ATOM 951 CG ASN A 59 29.796 23.910 12.659 1.00 10.48 C ATOM 952 OD1 ASN A 59 30.661 23.337 13.319 1.00 9.84 O ATOM 953 ND2 ASN A 59 28.607 24.198 13.147 1.00 13.72 N ATOM 954 HA ASN A 59 29.639 22.359 10.551 1.00 0.00 H ATOM 955 HB2 ASN A 59 30.919 25.004 11.225 1.00 0.00 H ATOM 956 HB3 ASN A 59 29.179 24.883 10.874 1.00 0.00 H ATOM 957 HD22 ASN A 59 27.905 24.684 12.553 1.00 0.00 H ATOM 958 HD21 ASN A 59 28.370 23.940 14.126 1.00 0.00 H ATOM 959 H ASN A 59 32.356 23.237 11.040 1.00 0.00 H ATOM 960 N MET A 60 28.952 23.380 8.310 1.00 10.51 N ATOM 961 CA MET A 60 28.643 23.805 6.954 1.00 10.50 C ATOM 962 C MET A 60 27.160 24.166 6.855 1.00 11.02 C ATOM 963 O MET A 60 26.344 23.777 7.699 1.00 11.59 O ATOM 964 CB MET A 60 29.017 22.710 5.934 1.00 12.06 C ATOM 965 CG MET A 60 28.062 21.521 5.850 1.00 12.93 C ATOM 966 SD MET A 60 28.288 20.460 4.377 1.00 19.01 S ATOM 967 CE MET A 60 29.995 20.846 3.902 1.00 19.47 C ATOM 968 HA MET A 60 29.236 24.688 6.716 1.00 0.00 H ATOM 969 HB2 MET A 60 29.062 23.173 4.948 1.00 0.00 H ATOM 970 HB3 MET A 60 30.003 22.329 6.200 1.00 0.00 H ATOM 971 HG2 MET A 60 27.042 21.905 5.839 1.00 0.00 H ATOM 972 HG3 MET A 60 28.207 20.905 6.738 1.00 0.00 H ATOM 973 HE1 MET A 60 30.078 21.910 3.682 1.00 0.00 H ATOM 974 HE2 MET A 60 30.666 20.590 4.722 1.00 0.00 H ATOM 975 HE3 MET A 60 30.264 20.268 3.018 1.00 0.00 H ATOM 976 H MET A 60 28.235 22.863 8.857 1.00 0.00 H ATOM 977 N THR A 61 26.812 24.936 5.836 1.00 10.21 N ATOM 978 CA THR A 61 25.430 25.323 5.636 1.00 11.34 C ATOM 979 C THR A 61 24.596 24.081 5.271 1.00 13.13 C ATOM 980 O THR A 61 25.021 23.234 4.466 1.00 13.01 O ATOM 981 CB THR A 61 25.308 26.364 4.499 1.00 10.39 C ATOM 982 OG1 THR A 61 26.174 27.474 4.769 1.00 11.85 O ATOM 983 CG2 THR A 61 23.860 26.856 4.373 1.00 10.31 C ATOM 984 HA THR A 61 25.061 25.767 6.561 1.00 0.00 H ATOM 985 HB THR A 61 25.599 25.893 3.560 1.00 0.00 H ATOM 986 HG1 THR A 61 27.110 27.155 4.825 1.00 0.00 H ATOM 987 HG23 THR A 61 23.206 26.008 4.168 1.00 0.00 H ATOM 988 HG21 THR A 61 23.557 27.333 5.305 1.00 0.00 H ATOM 989 HG22 THR A 61 23.792 27.575 3.557 1.00 0.00 H ATOM 990 H THR A 61 27.540 25.267 5.171 1.00 0.00 H ATOM 991 N CYS A 62 23.416 23.978 5.870 1.00 12.28 N ATOM 992 CA CYS A 62 22.526 22.856 5.611 1.00 12.92 C ATOM 993 C CYS A 62 21.845 23.026 4.271 1.00 13.56 C ATOM 994 O CYS A 62 21.059 23.959 4.088 1.00 12.15 O ATOM 995 CB CYS A 62 21.455 22.769 6.699 1.00 11.01 C ATOM 996 SG CYS A 62 22.128 22.490 8.354 1.00 10.98 S ATOM 997 HA CYS A 62 23.121 21.943 5.607 1.00 0.00 H ATOM 998 HB2 CYS A 62 20.783 21.946 6.457 1.00 0.00 H ATOM 999 HB3 CYS A 62 20.895 23.704 6.707 1.00 0.00 H ATOM 1000 H CYS A 62 23.121 24.716 6.540 1.00 0.00 H ATOM 1001 N PRO A 63 22.127 22.121 3.314 1.00 15.66 N ATOM 1002 CA PRO A 63 21.518 22.189 1.975 1.00 17.07 C ATOM 1003 C PRO A 63 19.994 22.327 2.023 1.00 18.08 C ATOM 1004 O PRO A 63 19.411 23.056 1.219 1.00 18.37 O ATOM 1005 CB PRO A 63 21.941 20.877 1.306 1.00 17.35 C ATOM 1006 CG PRO A 63 23.123 20.413 2.071 1.00 16.39 C ATOM 1007 CD PRO A 63 23.058 20.985 3.453 1.00 13.61 C ATOM 1008 HA PRO A 63 21.850 23.071 1.428 1.00 0.00 H ATOM 1009 HD3 PRO A 63 22.674 20.251 4.161 1.00 0.00 H ATOM 1010 HD2 PRO A 63 24.041 21.324 3.781 1.00 0.00 H ATOM 1011 HG3 PRO A 63 24.035 20.750 1.577 1.00 0.00 H ATOM 1012 HG2 PRO A 63 23.121 19.324 2.124 1.00 0.00 H ATOM 1013 HB2 PRO A 63 21.137 20.143 1.362 1.00 0.00 H ATOM 1014 HB3 PRO A 63 22.204 21.048 0.262 1.00 0.00 H ATOM 1015 N SER A 64 19.362 21.646 2.980 1.00 19.63 N ATOM 1016 CA SER A 64 17.905 21.679 3.133 1.00 22.90 C ATOM 1017 C SER A 64 17.316 22.886 3.878 1.00 24.73 C ATOM 1018 O SER A 64 16.105 23.114 3.825 1.00 25.32 O ATOM 1019 CB SER A 64 17.426 20.387 3.784 1.00 22.85 C ATOM 1020 OG SER A 64 17.557 19.311 2.869 1.00 26.19 O ATOM 1021 HA SER A 64 17.531 21.785 2.115 1.00 0.00 H ATOM 1022 HB2 SER A 64 16.380 20.493 4.072 1.00 0.00 H ATOM 1023 HB3 SER A 64 18.027 20.184 4.671 1.00 0.00 H ATOM 1024 HG SER A 64 17.244 18.475 3.297 1.00 0.00 H ATOM 1025 H SER A 64 19.923 21.071 3.641 1.00 0.00 H ATOM 1026 N ASN A 65 18.153 23.635 4.592 1.00 25.16 N ATOM 1027 CA ASN A 65 17.717 24.855 5.283 1.00 27.37 C ATOM 1028 C ASN A 65 18.899 25.791 5.323 1.00 26.32 C ATOM 1029 O ASN A 65 19.658 25.808 6.295 1.00 26.20 O ATOM 1030 CB ASN A 65 17.239 24.610 6.716 1.00 30.80 C ATOM 1031 CG ASN A 65 16.627 25.879 7.357 1.00 34.53 C ATOM 1032 OD1 ASN A 65 16.662 26.980 6.776 1.00 31.10 O ATOM 1033 ND2 ASN A 65 16.067 25.721 8.558 1.00 36.11 N ATOM 1034 HA ASN A 65 16.867 25.265 4.738 1.00 0.00 H ATOM 1035 HB2 ASN A 65 16.484 23.824 6.704 1.00 0.00 H ATOM 1036 HB3 ASN A 65 18.088 24.287 7.319 1.00 0.00 H ATOM 1037 HD22 ASN A 65 16.059 24.784 9.009 1.00 0.00 H ATOM 1038 HD21 ASN A 65 15.639 26.535 9.043 1.00 0.00 H ATOM 1039 H ASN A 65 19.150 23.346 4.663 1.00 0.00 H ATOM 1040 N LYS A 66 19.032 26.555 4.243 1.00 24.96 N ATOM 1041 CA LYS A 66 20.098 27.522 4.029 1.00 25.64 C ATOM 1042 C LYS A 66 20.390 28.500 5.164 1.00 23.40 C ATOM 1043 O LYS A 66 21.461 29.110 5.187 1.00 23.09 O ATOM 1044 CB LYS A 66 19.798 28.313 2.754 1.00 30.20 C ATOM 1045 CG LYS A 66 19.397 27.441 1.575 1.00 34.97 C ATOM 1046 CD LYS A 66 20.385 26.292 1.371 1.00 38.28 C ATOM 1047 CE LYS A 66 21.176 26.461 0.070 1.00 39.61 C ATOM 1048 NZ LYS A 66 22.510 27.097 0.301 1.00 39.55 N ATOM 1049 HA LYS A 66 21.002 26.917 3.959 1.00 0.00 H ATOM 1050 HB2 LYS A 66 18.983 29.007 2.962 1.00 0.00 H ATOM 1051 HB3 LYS A 66 20.691 28.875 2.479 1.00 0.00 H ATOM 1052 HG2 LYS A 66 18.405 27.028 1.760 1.00 0.00 H ATOM 1053 HG3 LYS A 66 19.372 28.053 0.673 1.00 0.00 H ATOM 1054 HD2 LYS A 66 21.081 26.269 2.209 1.00 0.00 H ATOM 1055 HD3 LYS A 66 19.834 25.352 1.332 1.00 0.00 H ATOM 1056 HE2 LYS A 66 20.601 27.087 -0.612 1.00 0.00 H ATOM 1057 HE3 LYS A 66 21.327 25.480 -0.380 1.00 0.00 H ATOM 1058 HZ1 LYS A 66 22.376 28.038 0.724 1.00 0.00 H ATOM 1059 HZ2 LYS A 66 23.069 26.503 0.946 1.00 0.00 H ATOM 1060 HZ3 LYS A 66 23.010 27.191 -0.606 1.00 0.00 H ATOM 1061 H LYS A 66 18.319 26.454 3.493 1.00 0.00 H ATOM 1062 N THR A 67 19.449 28.673 6.090 1.00 18.60 N ATOM 1063 CA THR A 67 19.681 29.587 7.198 1.00 16.41 C ATOM 1064 C THR A 67 20.438 28.903 8.328 1.00 14.43 C ATOM 1065 O THR A 67 20.884 29.561 9.268 1.00 11.68 O ATOM 1066 CB THR A 67 18.359 30.143 7.773 1.00 15.38 C ATOM 1067 OG1 THR A 67 17.584 29.071 8.315 1.00 16.82 O ATOM 1068 CG2 THR A 67 17.562 30.836 6.696 1.00 15.52 C ATOM 1069 HA THR A 67 20.273 30.408 6.794 1.00 0.00 H ATOM 1070 HB THR A 67 18.597 30.863 8.556 1.00 0.00 H ATOM 1071 HG1 THR A 67 17.383 28.416 7.600 1.00 0.00 H ATOM 1072 HG23 THR A 67 18.150 31.654 6.280 1.00 0.00 H ATOM 1073 HG21 THR A 67 17.322 30.123 5.908 1.00 0.00 H ATOM 1074 HG22 THR A 67 16.640 31.230 7.124 1.00 0.00 H ATOM 1075 H THR A 67 18.549 28.156 6.021 1.00 0.00 H ATOM 1076 N ARG A 68 20.602 27.586 8.224 1.00 14.30 N ATOM 1077 CA ARG A 68 21.275 26.821 9.270 1.00 13.70 C ATOM 1078 C ARG A 68 22.741 26.487 8.983 1.00 11.75 C ATOM 1079 O ARG A 68 23.118 26.144 7.863 1.00 10.94 O ATOM 1080 CB ARG A 68 20.487 25.534 9.558 1.00 18.18 C ATOM 1081 CG ARG A 68 18.987 25.747 9.815 1.00 25.89 C ATOM 1082 CD ARG A 68 18.715 26.134 11.263 1.00 32.41 C ATOM 1083 NE ARG A 68 17.289 26.150 11.601 1.00 42.46 N ATOM 1084 CZ ARG A 68 16.523 27.246 11.625 1.00 45.38 C ATOM 1085 NH1 ARG A 68 17.037 28.438 11.326 1.00 46.90 N ATOM 1086 NH2 ARG A 68 15.240 27.155 11.967 1.00 46.13 N ATOM 1087 HA ARG A 68 21.295 27.471 10.145 1.00 0.00 H ATOM 1088 HB2 ARG A 68 20.594 24.870 8.700 1.00 0.00 H ATOM 1089 HB3 ARG A 68 20.919 25.060 10.439 1.00 0.00 H ATOM 1090 HG2 ARG A 68 18.625 26.542 9.162 1.00 0.00 H ATOM 1091 HG3 ARG A 68 18.455 24.823 9.590 1.00 0.00 H ATOM 1092 HD2 ARG A 68 19.123 27.129 11.438 1.00 0.00 H ATOM 1093 HD3 ARG A 68 19.217 25.417 11.913 1.00 0.00 H ATOM 1094 HE ARG A 68 16.840 25.243 11.840 1.00 0.00 H ATOM 1095 HH12 ARG A 68 16.433 29.285 11.347 1.00 0.00 H ATOM 1096 HH11 ARG A 68 18.042 28.522 11.071 1.00 0.00 H ATOM 1097 HH22 ARG A 68 14.645 28.008 11.985 1.00 0.00 H ATOM 1098 HH21 ARG A 68 14.832 26.231 12.216 1.00 0.00 H ATOM 1099 H ARG A 68 20.244 27.092 7.382 1.00 0.00 H ATOM 1100 N LYS A 69 23.560 26.587 10.022 1.00 8.94 N ATOM 1101 CA LYS A 69 24.985 26.324 9.920 1.00 10.95 C ATOM 1102 C LYS A 69 25.411 25.223 10.898 1.00 10.82 C ATOM 1103 O LYS A 69 26.593 25.115 11.259 1.00 12.08 O ATOM 1104 CB LYS A 69 25.758 27.618 10.209 1.00 10.61 C ATOM 1105 CG LYS A 69 27.291 27.567 10.028 1.00 12.85 C ATOM 1106 CD LYS A 69 27.746 26.555 8.993 1.00 15.33 C ATOM 1107 CE LYS A 69 28.567 27.203 7.889 1.00 18.59 C ATOM 1108 NZ LYS A 69 29.392 28.392 8.292 1.00 16.88 N ATOM 1109 HA LYS A 69 25.210 25.979 8.911 1.00 0.00 H ATOM 1110 HB2 LYS A 69 25.372 28.389 9.542 1.00 0.00 H ATOM 1111 HB3 LYS A 69 25.557 27.899 11.243 1.00 0.00 H ATOM 1112 HG2 LYS A 69 27.635 28.554 9.720 1.00 0.00 H ATOM 1113 HG3 LYS A 69 27.743 27.308 10.986 1.00 0.00 H ATOM 1114 HD2 LYS A 69 28.354 25.796 9.485 1.00 0.00 H ATOM 1115 HD3 LYS A 69 26.868 26.085 8.550 1.00 0.00 H ATOM 1116 HE2 LYS A 69 27.879 27.524 7.106 1.00 0.00 H ATOM 1117 HE3 LYS A 69 29.244 26.448 7.489 1.00 0.00 H ATOM 1118 HZ1 LYS A 69 28.767 29.136 8.662 1.00 0.00 H ATOM 1119 HZ2 LYS A 69 30.070 28.109 9.028 1.00 0.00 H ATOM 1120 HZ3 LYS A 69 29.908 28.751 7.464 1.00 0.00 H ATOM 1121 H LYS A 69 23.167 26.864 10.944 1.00 0.00 H ATOM 1122 N ASN A 70 24.457 24.399 11.327 1.00 11.37 N ATOM 1123 CA ASN A 70 24.797 23.343 12.266 1.00 9.40 C ATOM 1124 C ASN A 70 24.913 22.012 11.578 1.00 9.38 C ATOM 1125 O ASN A 70 24.791 20.972 12.221 1.00 11.05 O ATOM 1126 CB ASN A 70 23.777 23.272 13.415 1.00 10.93 C ATOM 1127 CG ASN A 70 22.368 22.925 12.948 1.00 9.61 C ATOM 1128 OD1 ASN A 70 21.982 23.202 11.814 1.00 11.14 O ATOM 1129 ND2 ASN A 70 21.594 22.313 13.834 1.00 9.22 N ATOM 1130 HA ASN A 70 25.771 23.587 12.690 1.00 0.00 H ATOM 1131 HB2 ASN A 70 24.105 22.511 14.123 1.00 0.00 H ATOM 1132 HB3 ASN A 70 23.748 24.241 13.913 1.00 0.00 H ATOM 1133 HD22 ASN A 70 21.960 22.097 14.783 1.00 0.00 H ATOM 1134 HD21 ASN A 70 20.621 22.049 13.580 1.00 0.00 H ATOM 1135 H ASN A 70 23.478 24.510 10.993 1.00 0.00 H ATOM 1136 N CYS A 71 25.155 22.032 10.268 1.00 8.60 N ATOM 1137 CA CYS A 71 25.314 20.770 9.531 1.00 9.84 C ATOM 1138 C CYS A 71 26.771 20.309 9.392 1.00 7.68 C ATOM 1139 O CYS A 71 27.715 21.089 9.540 1.00 5.19 O ATOM 1140 CB CYS A 71 24.676 20.869 8.151 1.00 8.01 C ATOM 1141 SG CYS A 71 22.888 20.611 8.222 1.00 11.02 S ATOM 1142 HA CYS A 71 24.803 20.016 10.130 1.00 0.00 H ATOM 1143 HB2 CYS A 71 25.117 20.112 7.502 1.00 0.00 H ATOM 1144 HB3 CYS A 71 24.875 21.859 7.740 1.00 0.00 H ATOM 1145 H CYS A 71 25.231 22.940 9.767 1.00 0.00 H ATOM 1146 N HIS A 72 26.943 19.023 9.114 1.00 8.95 N ATOM 1147 CA HIS A 72 28.271 18.438 8.979 1.00 8.16 C ATOM 1148 C HIS A 72 28.260 17.373 7.894 1.00 8.27 C ATOM 1149 O HIS A 72 27.325 16.589 7.787 1.00 10.50 O ATOM 1150 CB HIS A 72 28.706 17.836 10.314 1.00 7.69 C ATOM 1151 CG HIS A 72 28.555 18.779 11.463 1.00 7.45 C ATOM 1152 ND1 HIS A 72 29.575 19.606 11.877 1.00 7.32 N ATOM 1153 CD2 HIS A 72 27.484 19.090 12.228 1.00 8.28 C ATOM 1154 CE1 HIS A 72 29.138 20.389 12.846 1.00 8.50 C ATOM 1155 NE2 HIS A 72 27.872 20.097 13.078 1.00 9.55 N ATOM 1156 HA HIS A 72 28.981 19.215 8.696 1.00 0.00 H ATOM 1157 HB2 HIS A 72 28.099 16.952 10.509 1.00 0.00 H ATOM 1158 HB3 HIS A 72 29.754 17.547 10.239 1.00 0.00 H ATOM 1159 HD2 HIS A 72 26.498 18.628 12.179 1.00 0.00 H ATOM 1160 HE1 HIS A 72 29.723 21.148 13.366 1.00 0.00 H ATOM 1161 H HIS A 72 26.108 18.416 8.989 1.00 0.00 H ATOM 1162 N HIS A 73 29.319 17.358 7.097 1.00 7.59 N ATOM 1163 CA HIS A 73 29.455 16.442 5.981 1.00 9.87 C ATOM 1164 C HIS A 73 30.256 15.225 6.413 1.00 9.02 C ATOM 1165 O HIS A 73 31.291 15.364 7.075 1.00 10.52 O ATOM 1166 CB HIS A 73 30.164 17.174 4.834 1.00 9.73 C ATOM 1167 CG HIS A 73 29.847 16.638 3.477 1.00 13.64 C ATOM 1168 ND1 HIS A 73 30.426 15.492 2.977 1.00 16.28 N ATOM 1169 CD2 HIS A 73 29.056 17.120 2.491 1.00 14.41 C ATOM 1170 CE1 HIS A 73 30.006 15.293 1.741 1.00 16.01 C ATOM 1171 NE2 HIS A 73 29.174 16.267 1.423 1.00 14.91 N ATOM 1172 HA HIS A 73 28.474 16.105 5.646 1.00 0.00 H ATOM 1173 HB2 HIS A 73 29.870 18.223 4.865 1.00 0.00 H ATOM 1174 HB3 HIS A 73 31.240 17.094 4.991 1.00 0.00 H ATOM 1175 HD2 HIS A 73 28.440 18.018 2.537 1.00 0.00 H ATOM 1176 HE1 HIS A 73 30.297 14.466 1.094 1.00 0.00 H ATOM 1177 H HIS A 73 30.088 18.034 7.280 1.00 0.00 H ATOM 1178 N SER A 74 29.799 14.036 6.029 1.00 10.57 N ATOM 1179 CA SER A 74 30.489 12.805 6.413 1.00 12.81 C ATOM 1180 C SER A 74 31.936 12.624 5.920 1.00 15.65 C ATOM 1181 O SER A 74 32.719 11.910 6.538 1.00 19.97 O ATOM 1182 CB SER A 74 29.664 11.579 6.006 1.00 10.51 C ATOM 1183 OG SER A 74 29.505 11.489 4.605 1.00 9.49 O ATOM 1184 HA SER A 74 30.578 12.902 7.495 1.00 0.00 H ATOM 1185 HB2 SER A 74 28.679 11.648 6.468 1.00 0.00 H ATOM 1186 HB3 SER A 74 30.169 10.681 6.362 1.00 0.00 H ATOM 1187 HG SER A 74 30.395 11.419 4.177 1.00 0.00 H ATOM 1188 H SER A 74 28.939 13.981 5.447 1.00 0.00 H ATOM 1189 N GLY A 75 32.334 13.246 4.826 1.00 15.84 N ATOM 1190 CA GLY A 75 33.717 13.001 4.429 1.00 20.06 C ATOM 1191 C GLY A 75 34.012 11.563 3.975 1.00 18.44 C ATOM 1192 O GLY A 75 35.129 11.249 3.594 1.00 17.37 O ATOM 1193 HA3 GLY A 75 34.359 13.227 5.280 1.00 0.00 H ATOM 1194 HA2 GLY A 75 33.958 13.673 3.605 1.00 0.00 H ATOM 1195 H GLY A 75 31.704 13.870 4.283 1.00 0.00 H ATOM 1196 N SER A 76 33.018 10.680 4.032 1.00 18.54 N ATOM 1197 CA SER A 76 33.176 9.302 3.560 1.00 19.21 C ATOM 1198 C SER A 76 31.801 8.817 3.151 1.00 17.48 C ATOM 1199 O SER A 76 30.830 9.106 3.834 1.00 18.18 O ATOM 1200 CB SER A 76 33.723 8.393 4.663 1.00 21.24 C ATOM 1201 OG SER A 76 34.884 7.712 4.232 1.00 16.55 O ATOM 1202 HA SER A 76 33.883 9.274 2.731 1.00 0.00 H ATOM 1203 HB2 SER A 76 32.961 7.662 4.933 1.00 0.00 H ATOM 1204 HB3 SER A 76 33.969 8.999 5.535 1.00 0.00 H ATOM 1205 HG SER A 76 34.665 7.156 3.442 1.00 0.00 H ATOM 1206 H SER A 76 32.101 10.977 4.423 1.00 0.00 H ATOM 1207 N GLN A 77 31.701 8.109 2.030 1.00 17.99 N ATOM 1208 CA GLN A 77 30.398 7.598 1.597 1.00 17.27 C ATOM 1209 C GLN A 77 30.064 6.380 2.452 1.00 15.50 C ATOM 1210 O GLN A 77 30.959 5.694 2.940 1.00 15.51 O ATOM 1211 CB GLN A 77 30.429 7.182 0.130 1.00 17.65 C ATOM 1212 CG GLN A 77 30.225 8.307 -0.855 1.00 22.70 C ATOM 1213 CD GLN A 77 30.319 7.813 -2.282 1.00 23.87 C ATOM 1214 OE1 GLN A 77 30.872 6.745 -2.538 1.00 24.75 O ATOM 1215 NE2 GLN A 77 29.774 8.579 -3.218 1.00 25.98 N ATOM 1216 HA GLN A 77 29.649 8.382 1.712 1.00 0.00 H ATOM 1217 HB2 GLN A 77 31.398 6.726 -0.072 1.00 0.00 H ATOM 1218 HB3 GLN A 77 29.642 6.445 -0.030 1.00 0.00 H ATOM 1219 HG2 GLN A 77 29.240 8.745 -0.695 1.00 0.00 H ATOM 1220 HG3 GLN A 77 30.990 9.066 -0.691 1.00 0.00 H ATOM 1221 HE22 GLN A 77 29.316 9.475 -2.955 1.00 0.00 H ATOM 1222 HE21 GLN A 77 29.804 8.283 -4.215 1.00 0.00 H ATOM 1223 H GLN A 77 32.549 7.918 1.460 1.00 0.00 H ATOM 1224 N VAL A 78 28.781 6.112 2.644 1.00 15.20 N ATOM 1225 CA VAL A 78 28.394 4.956 3.437 1.00 13.33 C ATOM 1226 C VAL A 78 27.252 4.231 2.755 1.00 11.97 C ATOM 1227 O VAL A 78 26.532 4.820 1.939 1.00 12.17 O ATOM 1228 CB VAL A 78 27.922 5.381 4.842 1.00 12.15 C ATOM 1229 CG1 VAL A 78 29.002 6.180 5.530 1.00 14.49 C ATOM 1230 CG2 VAL A 78 26.649 6.204 4.737 1.00 12.06 C ATOM 1231 HA VAL A 78 29.265 4.307 3.529 1.00 0.00 H ATOM 1232 HB VAL A 78 27.715 4.488 5.431 1.00 0.00 H ATOM 1233 HG11 VAL A 78 29.901 5.570 5.622 1.00 0.00 H ATOM 1234 HG12 VAL A 78 29.224 7.070 4.941 1.00 0.00 H ATOM 1235 HG13 VAL A 78 28.658 6.475 6.521 1.00 0.00 H ATOM 1236 HG21 VAL A 78 26.842 7.094 4.139 1.00 0.00 H ATOM 1237 HG22 VAL A 78 25.870 5.607 4.262 1.00 0.00 H ATOM 1238 HG23 VAL A 78 26.325 6.499 5.735 1.00 0.00 H ATOM 1239 H VAL A 78 28.052 6.727 2.229 1.00 0.00 H ATOM 1240 N PRO A 79 27.100 2.924 3.038 1.00 13.49 N ATOM 1241 CA PRO A 79 25.998 2.171 2.428 1.00 12.03 C ATOM 1242 C PRO A 79 24.707 2.680 3.072 1.00 12.67 C ATOM 1243 O PRO A 79 24.676 2.955 4.276 1.00 12.25 O ATOM 1244 CB PRO A 79 26.272 0.720 2.827 1.00 12.64 C ATOM 1245 CG PRO A 79 27.662 0.705 3.361 1.00 13.78 C ATOM 1246 CD PRO A 79 27.940 2.071 3.891 1.00 10.23 C ATOM 1247 HA PRO A 79 25.913 2.272 1.346 1.00 0.00 H ATOM 1248 HD3 PRO A 79 27.649 2.154 4.938 1.00 0.00 H ATOM 1249 HD2 PRO A 79 28.994 2.327 3.787 1.00 0.00 H ATOM 1250 HG3 PRO A 79 28.366 0.461 2.566 1.00 0.00 H ATOM 1251 HG2 PRO A 79 27.749 -0.032 4.160 1.00 0.00 H ATOM 1252 HB2 PRO A 79 25.567 0.396 3.593 1.00 0.00 H ATOM 1253 HB3 PRO A 79 26.191 0.065 1.960 1.00 0.00 H ATOM 1254 N LEU A 80 23.651 2.823 2.279 1.00 11.37 N ATOM 1255 CA LEU A 80 22.379 3.282 2.821 1.00 11.74 C ATOM 1256 C LEU A 80 21.186 2.647 2.111 1.00 10.21 C ATOM 1257 O LEU A 80 21.288 2.183 0.975 1.00 9.61 O ATOM 1258 CB LEU A 80 22.286 4.819 2.740 1.00 8.19 C ATOM 1259 CG LEU A 80 22.234 5.485 1.364 1.00 8.92 C ATOM 1260 CD1 LEU A 80 20.816 5.471 0.846 1.00 7.72 C ATOM 1261 CD2 LEU A 80 22.754 6.917 1.479 1.00 9.88 C ATOM 1262 HA LEU A 80 22.342 2.970 3.865 1.00 0.00 H ATOM 1263 HB2 LEU A 80 21.382 5.114 3.273 1.00 0.00 H ATOM 1264 HB3 LEU A 80 23.158 5.220 3.257 1.00 0.00 H ATOM 1265 HG LEU A 80 22.862 4.937 0.662 1.00 0.00 H ATOM 1266 HD21 LEU A 80 22.131 7.473 2.179 1.00 0.00 H ATOM 1267 HD22 LEU A 80 23.782 6.901 1.840 1.00 0.00 H ATOM 1268 HD23 LEU A 80 22.718 7.395 0.500 1.00 0.00 H ATOM 1269 HD11 LEU A 80 20.471 4.440 0.763 1.00 0.00 H ATOM 1270 HD12 LEU A 80 20.173 6.016 1.537 1.00 0.00 H ATOM 1271 HD13 LEU A 80 20.784 5.946 -0.134 1.00 0.00 H ATOM 1272 H LEU A 80 23.733 2.606 1.265 1.00 0.00 H ATOM 1273 N ILE A 81 20.059 2.601 2.800 1.00 9.53 N ATOM 1274 CA ILE A 81 18.854 2.071 2.204 1.00 10.29 C ATOM 1275 C ILE A 81 17.836 3.205 2.249 1.00 10.73 C ATOM 1276 O ILE A 81 17.559 3.761 3.318 1.00 10.88 O ATOM 1277 CB ILE A 81 18.326 0.828 2.979 1.00 9.62 C ATOM 1278 CG1 ILE A 81 19.300 -0.347 2.796 1.00 13.40 C ATOM 1279 CG2 ILE A 81 16.959 0.420 2.437 1.00 7.09 C ATOM 1280 CD1 ILE A 81 19.517 -1.199 4.042 1.00 16.74 C ATOM 1281 HA ILE A 81 19.042 1.732 1.185 1.00 0.00 H ATOM 1282 HB ILE A 81 18.242 1.082 4.036 1.00 0.00 H ATOM 1283 HG12 ILE A 81 18.910 -0.991 2.008 1.00 0.00 H ATOM 1284 HG13 ILE A 81 20.265 0.057 2.489 1.00 0.00 H ATOM 1285 HD11 ILE A 81 19.921 -0.577 4.840 1.00 0.00 H ATOM 1286 HD12 ILE A 81 18.565 -1.626 4.359 1.00 0.00 H ATOM 1287 HD13 ILE A 81 20.219 -2.001 3.814 1.00 0.00 H ATOM 1288 HG21 ILE A 81 16.259 1.246 2.561 1.00 0.00 H ATOM 1289 HG22 ILE A 81 17.048 0.174 1.379 1.00 0.00 H ATOM 1290 HG23 ILE A 81 16.597 -0.450 2.985 1.00 0.00 H ATOM 1291 H ILE A 81 20.039 2.949 3.780 1.00 0.00 H ATOM 1292 N HIS A 82 17.316 3.584 1.085 1.00 9.46 N ATOM 1293 CA HIS A 82 16.313 4.636 1.026 1.00 10.17 C ATOM 1294 C HIS A 82 14.907 4.057 0.788 1.00 8.80 C ATOM 1295 O HIS A 82 14.659 3.360 -0.191 1.00 9.21 O ATOM 1296 CB HIS A 82 16.646 5.641 -0.061 1.00 11.45 C ATOM 1297 CG HIS A 82 15.791 6.860 0.000 1.00 14.28 C ATOM 1298 ND1 HIS A 82 15.896 7.786 1.012 1.00 17.74 N ATOM 1299 CD2 HIS A 82 14.768 7.274 -0.783 1.00 18.34 C ATOM 1300 CE1 HIS A 82 14.975 8.719 0.851 1.00 17.12 C ATOM 1301 NE2 HIS A 82 14.277 8.431 -0.231 1.00 17.51 N ATOM 1302 HA HIS A 82 16.318 5.144 1.991 1.00 0.00 H ATOM 1303 HB2 HIS A 82 17.688 5.940 0.048 1.00 0.00 H ATOM 1304 HB3 HIS A 82 16.506 5.165 -1.031 1.00 0.00 H ATOM 1305 HD2 HIS A 82 14.402 6.781 -1.684 1.00 0.00 H ATOM 1306 HE1 HIS A 82 14.818 9.580 1.501 1.00 0.00 H ATOM 1307 H HIS A 82 17.630 3.123 0.207 1.00 0.00 H ATOM 1308 N CYS A 83 14.001 4.345 1.711 1.00 9.82 N ATOM 1309 CA CYS A 83 12.632 3.849 1.640 1.00 10.53 C ATOM 1310 C CYS A 83 11.680 4.855 0.996 1.00 12.68 C ATOM 1311 O CYS A 83 11.675 6.032 1.346 1.00 11.41 O ATOM 1312 CB CYS A 83 12.132 3.495 3.045 1.00 9.48 C ATOM 1313 SG CYS A 83 13.188 2.320 3.961 1.00 9.22 S ATOM 1314 HA CYS A 83 12.644 2.959 1.010 1.00 0.00 H ATOM 1315 HB2 CYS A 83 11.139 3.056 2.951 1.00 0.00 H ATOM 1316 HB3 CYS A 83 12.068 4.416 3.624 1.00 0.00 H ATOM 1317 H CYS A 83 14.276 4.946 2.514 1.00 0.00 H ATOM 1318 N ASN A 84 10.870 4.369 0.061 1.00 13.72 N ATOM 1319 CA ASN A 84 9.903 5.199 -0.654 1.00 14.66 C ATOM 1320 C ASN A 84 8.516 4.615 -0.508 1.00 15.35 C ATOM 1321 O ASN A 84 8.291 3.435 -0.814 1.00 17.25 O ATOM 1322 CB ASN A 84 10.249 5.257 -2.143 1.00 15.74 C ATOM 1323 CG ASN A 84 11.306 6.290 -2.452 1.00 20.85 C ATOM 1324 OD1 ASN A 84 11.007 7.483 -2.563 1.00 24.94 O ATOM 1325 ND2 ASN A 84 12.552 5.842 -2.601 1.00 20.75 N ATOM 1326 HA ASN A 84 9.935 6.202 -0.230 1.00 0.00 H ATOM 1327 HB2 ASN A 84 10.614 4.279 -2.456 1.00 0.00 H ATOM 1328 HB3 ASN A 84 9.346 5.502 -2.703 1.00 0.00 H ATOM 1329 HD22 ASN A 84 12.756 4.827 -2.498 1.00 0.00 H ATOM 1330 HD21 ASN A 84 13.321 6.507 -2.820 1.00 0.00 H ATOM 1331 H ASN A 84 10.927 3.357 -0.171 1.00 0.00 H ATOM 1332 N LEU A 85 7.577 5.428 -0.046 1.00 13.81 N ATOM 1333 CA LEU A 85 6.206 4.960 0.105 1.00 15.66 C ATOM 1334 C LEU A 85 5.669 4.598 -1.289 1.00 17.49 C ATOM 1335 O LEU A 85 5.718 5.414 -2.213 1.00 19.67 O ATOM 1336 CB LEU A 85 5.339 6.060 0.733 1.00 14.67 C ATOM 1337 CG LEU A 85 3.878 5.695 0.939 1.00 14.85 C ATOM 1338 CD1 LEU A 85 3.731 4.643 2.038 1.00 10.23 C ATOM 1339 CD2 LEU A 85 3.119 6.971 1.288 1.00 18.10 C ATOM 1340 HA LEU A 85 6.177 4.088 0.758 1.00 0.00 H ATOM 1341 HB2 LEU A 85 5.764 6.311 1.705 1.00 0.00 H ATOM 1342 HB3 LEU A 85 5.380 6.934 0.083 1.00 0.00 H ATOM 1343 HG LEU A 85 3.466 5.260 0.029 1.00 0.00 H ATOM 1344 HD21 LEU A 85 3.533 7.400 2.200 1.00 0.00 H ATOM 1345 HD22 LEU A 85 3.218 7.686 0.471 1.00 0.00 H ATOM 1346 HD23 LEU A 85 2.066 6.735 1.441 1.00 0.00 H ATOM 1347 HD11 LEU A 85 4.282 3.746 1.756 1.00 0.00 H ATOM 1348 HD12 LEU A 85 4.130 5.037 2.972 1.00 0.00 H ATOM 1349 HD13 LEU A 85 2.677 4.399 2.167 1.00 0.00 H ATOM 1350 H LEU A 85 7.820 6.406 0.210 1.00 0.00 H ATOM 1351 N THR A 86 5.185 3.373 -1.448 1.00 17.02 N ATOM 1352 CA THR A 86 4.638 2.948 -2.733 1.00 19.45 C ATOM 1353 C THR A 86 3.123 2.838 -2.609 1.00 19.33 C ATOM 1354 O THR A 86 2.390 3.027 -3.581 1.00 18.62 O ATOM 1355 CB THR A 86 5.196 1.554 -3.192 1.00 17.06 C ATOM 1356 OG1 THR A 86 4.745 0.528 -2.294 1.00 16.19 O ATOM 1357 CG2 THR A 86 6.699 1.563 -3.226 1.00 15.10 C ATOM 1358 HA THR A 86 4.931 3.690 -3.476 1.00 0.00 H ATOM 1359 HB THR A 86 4.825 1.353 -4.197 1.00 0.00 H ATOM 1360 HG1 THR A 86 5.069 0.725 -1.380 1.00 0.00 H ATOM 1361 HG23 THR A 86 7.041 2.342 -3.908 1.00 0.00 H ATOM 1362 HG21 THR A 86 7.083 1.760 -2.225 1.00 0.00 H ATOM 1363 HG22 THR A 86 7.059 0.593 -3.570 1.00 0.00 H ATOM 1364 H THR A 86 5.195 2.708 -0.648 1.00 0.00 H ATOM 1365 N THR A 87 2.665 2.564 -1.393 1.00 21.10 N ATOM 1366 CA THR A 87 1.245 2.377 -1.120 1.00 22.64 C ATOM 1367 C THR A 87 0.766 3.225 0.057 1.00 23.99 C ATOM 1368 O THR A 87 0.725 2.739 1.185 1.00 23.14 O ATOM 1369 CB THR A 87 0.990 0.885 -0.822 1.00 21.97 C ATOM 1370 OG1 THR A 87 1.469 0.108 -1.929 1.00 23.99 O ATOM 1371 CG2 THR A 87 -0.490 0.601 -0.608 1.00 19.19 C ATOM 1372 HA THR A 87 0.685 2.698 -1.998 1.00 0.00 H ATOM 1373 HB THR A 87 1.516 0.619 0.095 1.00 0.00 H ATOM 1374 HG1 THR A 87 2.439 0.267 -2.047 1.00 0.00 H ATOM 1375 HG23 THR A 87 -0.854 1.191 0.233 1.00 0.00 H ATOM 1376 HG21 THR A 87 -1.044 0.868 -1.508 1.00 0.00 H ATOM 1377 HG22 THR A 87 -0.628 -0.459 -0.396 1.00 0.00 H ATOM 1378 H THR A 87 3.342 2.480 -0.608 1.00 0.00 H ATOM 1379 N PRO A 88 0.388 4.499 -0.199 1.00 26.33 N ATOM 1380 CA PRO A 88 -0.091 5.422 0.839 1.00 26.91 C ATOM 1381 C PRO A 88 -1.398 4.920 1.383 1.00 26.91 C ATOM 1382 O PRO A 88 -2.269 4.520 0.621 1.00 29.28 O ATOM 1383 CB PRO A 88 -0.258 6.760 0.113 1.00 27.54 C ATOM 1384 CG PRO A 88 0.442 6.602 -1.186 1.00 29.46 C ATOM 1385 CD PRO A 88 0.367 5.137 -1.525 1.00 28.44 C ATOM 1386 HA PRO A 88 0.587 5.514 1.688 1.00 0.00 H ATOM 1387 HD3 PRO A 88 -0.553 4.903 -2.060 1.00 0.00 H ATOM 1388 HD2 PRO A 88 1.223 4.827 -2.125 1.00 0.00 H ATOM 1389 HG3 PRO A 88 1.482 6.917 -1.097 1.00 0.00 H ATOM 1390 HG2 PRO A 88 -0.051 7.195 -1.956 1.00 0.00 H ATOM 1391 HB2 PRO A 88 -1.314 6.976 -0.048 1.00 0.00 H ATOM 1392 HB3 PRO A 88 0.192 7.566 0.692 1.00 0.00 H ATOM 1393 N SER A 89 -1.536 4.940 2.701 1.00 28.20 N ATOM 1394 CA SER A 89 -2.748 4.449 3.340 1.00 29.36 C ATOM 1395 C SER A 89 -3.117 5.276 4.580 1.00 30.10 C ATOM 1396 O SER A 89 -3.015 4.797 5.709 1.00 26.62 O ATOM 1397 CB SER A 89 -2.558 2.972 3.715 1.00 28.24 C ATOM 1398 OG SER A 89 -3.686 2.457 4.391 1.00 27.85 O ATOM 1399 HA SER A 89 -3.573 4.548 2.634 1.00 0.00 H ATOM 1400 HB2 SER A 89 -1.686 2.881 4.362 1.00 0.00 H ATOM 1401 HB3 SER A 89 -2.396 2.394 2.805 1.00 0.00 H ATOM 1402 HG SER A 89 -3.836 2.974 5.222 1.00 0.00 H ATOM 1403 H SER A 89 -0.764 5.313 3.289 1.00 0.00 H ATOM 1404 N PRO A 90 -3.572 6.527 4.370 1.00 32.37 N ATOM 1405 CA PRO A 90 -3.965 7.448 5.447 1.00 35.12 C ATOM 1406 C PRO A 90 -5.037 6.901 6.400 1.00 36.66 C ATOM 1407 O PRO A 90 -5.057 7.230 7.591 1.00 36.65 O ATOM 1408 CB PRO A 90 -4.459 8.694 4.703 1.00 34.87 C ATOM 1409 CG PRO A 90 -3.895 8.591 3.337 1.00 33.64 C ATOM 1410 CD PRO A 90 -3.760 7.134 3.040 1.00 33.29 C ATOM 1411 HA PRO A 90 -3.124 7.638 6.114 1.00 0.00 H ATOM 1412 HD3 PRO A 90 -4.659 6.749 2.559 1.00 0.00 H ATOM 1413 HD2 PRO A 90 -2.898 6.945 2.400 1.00 0.00 H ATOM 1414 HG3 PRO A 90 -2.920 9.076 3.295 1.00 0.00 H ATOM 1415 HG2 PRO A 90 -4.564 9.062 2.617 1.00 0.00 H ATOM 1416 HB2 PRO A 90 -5.548 8.708 4.665 1.00 0.00 H ATOM 1417 HB3 PRO A 90 -4.102 9.598 5.195 1.00 0.00 H ATOM 1418 N GLN A 91 -5.928 6.071 5.873 1.00 37.64 N ATOM 1419 CA GLN A 91 -6.999 5.503 6.681 1.00 39.50 C ATOM 1420 C GLN A 91 -6.504 4.317 7.504 1.00 39.17 C ATOM 1421 O GLN A 91 -7.258 3.732 8.292 1.00 40.49 O ATOM 1422 CB GLN A 91 -8.162 5.067 5.778 1.00 42.33 C ATOM 1423 CG GLN A 91 -7.756 4.220 4.566 1.00 44.23 C ATOM 1424 CD GLN A 91 -7.130 5.045 3.444 1.00 45.78 C ATOM 1425 OE1 GLN A 91 -7.820 5.769 2.718 1.00 46.31 O ATOM 1426 NE2 GLN A 91 -5.816 4.933 3.298 1.00 46.15 N ATOM 1427 HA GLN A 91 -7.345 6.272 7.372 1.00 0.00 H ATOM 1428 HB2 GLN A 91 -8.859 4.484 6.381 1.00 0.00 H ATOM 1429 HB3 GLN A 91 -8.662 5.964 5.412 1.00 0.00 H ATOM 1430 HG2 GLN A 91 -7.034 3.471 4.891 1.00 0.00 H ATOM 1431 HG3 GLN A 91 -8.644 3.722 4.177 1.00 0.00 H ATOM 1432 HE22 GLN A 91 -5.273 4.312 3.932 1.00 0.00 H ATOM 1433 HE21 GLN A 91 -5.329 5.466 2.550 1.00 0.00 H ATOM 1434 H GLN A 91 -5.861 5.822 4.866 1.00 0.00 H ATOM 1435 N ASN A 92 -5.234 3.968 7.325 1.00 37.34 N ATOM 1436 CA ASN A 92 -4.638 2.844 8.041 1.00 35.69 C ATOM 1437 C ASN A 92 -3.168 2.731 7.647 1.00 35.08 C ATOM 1438 O ASN A 92 -2.838 2.235 6.570 1.00 34.00 O ATOM 1439 CB ASN A 92 -5.376 1.549 7.697 1.00 34.54 C ATOM 1440 CG ASN A 92 -4.862 0.366 8.482 1.00 35.33 C ATOM 1441 OD1 ASN A 92 -5.434 -0.728 8.430 1.00 35.69 O ATOM 1442 ND2 ASN A 92 -3.770 0.572 9.213 1.00 35.11 N ATOM 1443 HA ASN A 92 -4.718 3.010 9.115 1.00 0.00 H ATOM 1444 HB2 ASN A 92 -6.436 1.681 7.916 1.00 0.00 H ATOM 1445 HB3 ASN A 92 -5.249 1.345 6.634 1.00 0.00 H ATOM 1446 HD22 ASN A 92 -3.322 1.511 9.226 1.00 0.00 H ATOM 1447 HD21 ASN A 92 -3.364 -0.206 9.772 1.00 0.00 H ATOM 1448 H ASN A 92 -4.649 4.510 6.657 1.00 0.00 H ATOM 1449 N ILE A 93 -2.299 3.176 8.549 1.00 33.51 N ATOM 1450 CA ILE A 93 -0.856 3.201 8.327 1.00 32.21 C ATOM 1451 C ILE A 93 -0.064 1.885 8.344 1.00 30.52 C ATOM 1452 O ILE A 93 1.036 1.824 7.801 1.00 30.11 O ATOM 1453 CB ILE A 93 -0.206 4.198 9.316 1.00 32.38 C ATOM 1454 CG1 ILE A 93 -0.101 3.570 10.710 1.00 32.01 C ATOM 1455 CG2 ILE A 93 -1.036 5.492 9.356 1.00 30.63 C ATOM 1456 CD1 ILE A 93 0.135 4.574 11.823 1.00 32.92 C ATOM 1457 HA ILE A 93 -0.787 3.500 7.281 1.00 0.00 H ATOM 1458 HB ILE A 93 0.803 4.439 8.980 1.00 0.00 H ATOM 1459 HG12 ILE A 93 -1.030 3.039 10.918 1.00 0.00 H ATOM 1460 HG13 ILE A 93 0.727 2.862 10.706 1.00 0.00 H ATOM 1461 HD11 ILE A 93 1.068 5.107 11.638 1.00 0.00 H ATOM 1462 HD12 ILE A 93 -0.691 5.284 11.851 1.00 0.00 H ATOM 1463 HD13 ILE A 93 0.197 4.050 12.777 1.00 0.00 H ATOM 1464 HG21 ILE A 93 -1.066 5.934 8.360 1.00 0.00 H ATOM 1465 HG22 ILE A 93 -2.050 5.262 9.684 1.00 0.00 H ATOM 1466 HG23 ILE A 93 -0.578 6.194 10.053 1.00 0.00 H ATOM 1467 H ILE A 93 -2.665 3.524 9.458 1.00 0.00 H ATOM 1468 N SER A 94 -0.599 0.832 8.946 1.00 29.72 N ATOM 1469 CA SER A 94 0.133 -0.432 8.970 1.00 28.70 C ATOM 1470 C SER A 94 0.034 -1.116 7.609 1.00 28.01 C ATOM 1471 O SER A 94 0.639 -2.163 7.377 1.00 27.03 O ATOM 1472 CB SER A 94 -0.423 -1.353 10.056 1.00 30.59 C ATOM 1473 OG SER A 94 -1.838 -1.409 9.994 1.00 35.28 O ATOM 1474 HA SER A 94 1.179 -0.223 9.192 1.00 0.00 H ATOM 1475 HB2 SER A 94 -0.123 -0.975 11.033 1.00 0.00 H ATOM 1476 HB3 SER A 94 -0.019 -2.356 9.916 1.00 0.00 H ATOM 1477 HG SER A 94 -2.175 -2.010 10.705 1.00 0.00 H ATOM 1478 H SER A 94 -1.533 0.905 9.398 1.00 0.00 H ATOM 1479 N ASN A 95 -0.737 -0.512 6.713 1.00 26.61 N ATOM 1480 CA ASN A 95 -0.924 -1.051 5.371 1.00 26.19 C ATOM 1481 C ASN A 95 -0.106 -0.291 4.342 1.00 23.81 C ATOM 1482 O ASN A 95 -0.304 -0.436 3.131 1.00 23.02 O ATOM 1483 CB ASN A 95 -2.403 -1.010 4.985 1.00 26.78 C ATOM 1484 CG ASN A 95 -3.100 -2.320 5.259 1.00 28.91 C ATOM 1485 OD1 ASN A 95 -2.474 -3.278 5.721 1.00 29.14 O ATOM 1486 ND2 ASN A 95 -4.401 -2.376 4.976 1.00 29.82 N ATOM 1487 HA ASN A 95 -0.578 -2.085 5.382 1.00 0.00 H ATOM 1488 HB2 ASN A 95 -2.894 -0.224 5.559 1.00 0.00 H ATOM 1489 HB3 ASN A 95 -2.482 -0.785 3.921 1.00 0.00 H ATOM 1490 HD22 ASN A 95 -4.885 -1.541 4.588 1.00 0.00 H ATOM 1491 HD21 ASN A 95 -4.932 -3.254 5.143 1.00 0.00 H ATOM 1492 H ASN A 95 -1.221 0.370 6.975 1.00 0.00 H ATOM 1493 N CYS A 96 0.807 0.535 4.825 1.00 20.66 N ATOM 1494 CA CYS A 96 1.655 1.283 3.927 1.00 18.95 C ATOM 1495 C CYS A 96 2.800 0.373 3.492 1.00 18.06 C ATOM 1496 O CYS A 96 3.431 -0.288 4.318 1.00 17.81 O ATOM 1497 CB CYS A 96 2.191 2.517 4.634 1.00 20.88 C ATOM 1498 SG CYS A 96 0.894 3.743 4.985 1.00 20.37 S ATOM 1499 HA CYS A 96 1.093 1.613 3.053 1.00 0.00 H ATOM 1500 HB2 CYS A 96 2.948 2.981 4.001 1.00 0.00 H ATOM 1501 HB3 CYS A 96 2.645 2.210 5.576 1.00 0.00 H ATOM 1502 H CYS A 96 0.914 0.646 5.853 1.00 0.00 H ATOM 1503 N ARG A 97 3.049 0.322 2.189 1.00 16.16 N ATOM 1504 CA ARG A 97 4.121 -0.503 1.657 1.00 14.60 C ATOM 1505 C ARG A 97 5.191 0.419 1.105 1.00 14.00 C ATOM 1506 O ARG A 97 4.899 1.536 0.689 1.00 13.37 O ATOM 1507 CB ARG A 97 3.583 -1.418 0.562 1.00 14.89 C ATOM 1508 CG ARG A 97 2.357 -2.210 0.986 1.00 14.14 C ATOM 1509 CD ARG A 97 1.929 -3.137 -0.120 1.00 12.37 C ATOM 1510 NE ARG A 97 2.902 -4.208 -0.281 1.00 14.23 N ATOM 1511 CZ ARG A 97 3.014 -5.233 0.550 1.00 12.65 C ATOM 1512 NH1 ARG A 97 2.207 -5.313 1.596 1.00 16.40 N ATOM 1513 NH2 ARG A 97 3.925 -6.167 0.343 1.00 12.15 N ATOM 1514 HA ARG A 97 4.542 -1.133 2.441 1.00 0.00 H ATOM 1515 HB2 ARG A 97 3.318 -0.807 -0.301 1.00 0.00 H ATOM 1516 HB3 ARG A 97 4.368 -2.120 0.281 1.00 0.00 H ATOM 1517 HG2 ARG A 97 2.595 -2.795 1.874 1.00 0.00 H ATOM 1518 HG3 ARG A 97 1.544 -1.521 1.214 1.00 0.00 H ATOM 1519 HD2 ARG A 97 1.853 -2.576 -1.051 1.00 0.00 H ATOM 1520 HD3 ARG A 97 0.957 -3.566 0.125 1.00 0.00 H ATOM 1521 HE ARG A 97 3.547 -4.166 -1.096 1.00 0.00 H ATOM 1522 HH12 ARG A 97 2.287 -6.114 2.254 1.00 0.00 H ATOM 1523 HH11 ARG A 97 1.493 -4.575 1.759 1.00 0.00 H ATOM 1524 HH22 ARG A 97 4.006 -6.969 1.000 1.00 0.00 H ATOM 1525 HH21 ARG A 97 4.561 -6.101 -0.477 1.00 0.00 H ATOM 1526 H ARG A 97 2.466 0.883 1.536 1.00 0.00 H ATOM 1527 N TYR A 98 6.434 -0.048 1.103 1.00 13.86 N ATOM 1528 CA TYR A 98 7.550 0.762 0.629 1.00 12.70 C ATOM 1529 C TYR A 98 8.471 0.017 -0.326 1.00 12.35 C ATOM 1530 O TYR A 98 8.503 -1.208 -0.357 1.00 12.07 O ATOM 1531 CB TYR A 98 8.405 1.221 1.814 1.00 11.03 C ATOM 1532 CG TYR A 98 7.769 2.266 2.697 1.00 10.11 C ATOM 1533 CD1 TYR A 98 6.777 1.920 3.624 1.00 11.13 C ATOM 1534 CD2 TYR A 98 8.158 3.604 2.605 1.00 12.16 C ATOM 1535 CE1 TYR A 98 6.191 2.885 4.432 1.00 11.66 C ATOM 1536 CE2 TYR A 98 7.584 4.573 3.404 1.00 10.14 C ATOM 1537 CZ TYR A 98 6.604 4.213 4.314 1.00 11.83 C ATOM 1538 OH TYR A 98 6.048 5.189 5.106 1.00 12.56 O ATOM 1539 HA TYR A 98 7.101 1.602 0.098 1.00 0.00 H ATOM 1540 HB3 TYR A 98 9.335 1.632 1.421 1.00 0.00 H ATOM 1541 HB2 TYR A 98 8.626 0.349 2.429 1.00 0.00 H ATOM 1542 HD2 TYR A 98 8.929 3.889 1.889 1.00 0.00 H ATOM 1543 HE2 TYR A 98 7.900 5.613 3.319 1.00 0.00 H ATOM 1544 HE1 TYR A 98 5.418 2.609 5.149 1.00 0.00 H ATOM 1545 HD1 TYR A 98 6.461 0.880 3.712 1.00 0.00 H ATOM 1546 HH TYR A 98 5.620 5.873 4.533 1.00 0.00 H ATOM 1547 H TYR A 98 6.616 -1.013 1.447 1.00 0.00 H ATOM 1548 N ALA A 99 9.231 0.785 -1.093 1.00 13.15 N ATOM 1549 CA ALA A 99 10.227 0.237 -1.996 1.00 13.31 C ATOM 1550 C ALA A 99 11.534 0.535 -1.253 1.00 14.79 C ATOM 1551 O ALA A 99 11.563 1.408 -0.377 1.00 14.87 O ATOM 1552 CB ALA A 99 10.195 0.970 -3.329 1.00 11.05 C ATOM 1553 HA ALA A 99 10.081 -0.818 -2.227 1.00 0.00 H ATOM 1554 HB1 ALA A 99 9.208 0.860 -3.779 1.00 0.00 H ATOM 1555 HB2 ALA A 99 10.406 2.027 -3.166 1.00 0.00 H ATOM 1556 HB3 ALA A 99 10.948 0.546 -3.993 1.00 0.00 H ATOM 1557 H ALA A 99 9.110 1.817 -1.046 1.00 0.00 H ATOM 1558 N GLN A 100 12.598 -0.195 -1.571 1.00 13.43 N ATOM 1559 CA GLN A 100 13.882 0.029 -0.938 1.00 12.94 C ATOM 1560 C GLN A 100 14.919 0.220 -2.032 1.00 13.28 C ATOM 1561 O GLN A 100 14.959 -0.534 -3.006 1.00 11.97 O ATOM 1562 CB GLN A 100 14.275 -1.161 -0.063 1.00 14.79 C ATOM 1563 CG GLN A 100 14.098 -2.508 -0.737 1.00 15.92 C ATOM 1564 CD GLN A 100 13.062 -3.360 -0.043 1.00 18.15 C ATOM 1565 OE1 GLN A 100 12.656 -3.068 1.079 1.00 17.48 O ATOM 1566 NE2 GLN A 100 12.626 -4.420 -0.710 1.00 16.17 N ATOM 1567 HA GLN A 100 13.824 0.911 -0.300 1.00 0.00 H ATOM 1568 HB2 GLN A 100 15.323 -1.051 0.214 1.00 0.00 H ATOM 1569 HB3 GLN A 100 13.659 -1.144 0.836 1.00 0.00 H ATOM 1570 HG2 GLN A 100 13.786 -2.347 -1.769 1.00 0.00 H ATOM 1571 HG3 GLN A 100 15.052 -3.035 -0.725 1.00 0.00 H ATOM 1572 HE22 GLN A 100 12.999 -4.627 -1.658 1.00 0.00 H ATOM 1573 HE21 GLN A 100 11.911 -5.044 -0.285 1.00 0.00 H ATOM 1574 H GLN A 100 12.507 -0.942 -2.289 1.00 0.00 H ATOM 1575 N THR A 101 15.765 1.228 -1.866 1.00 12.18 N ATOM 1576 CA THR A 101 16.796 1.518 -2.850 1.00 13.18 C ATOM 1577 C THR A 101 18.157 1.593 -2.202 1.00 14.02 C ATOM 1578 O THR A 101 18.432 2.514 -1.424 1.00 12.79 O ATOM 1579 CB THR A 101 16.554 2.857 -3.545 1.00 13.06 C ATOM 1580 OG1 THR A 101 15.276 2.840 -4.187 1.00 12.18 O ATOM 1581 CG2 THR A 101 17.653 3.125 -4.553 1.00 13.18 C ATOM 1582 HA THR A 101 16.757 0.707 -3.577 1.00 0.00 H ATOM 1583 HB THR A 101 16.565 3.656 -2.804 1.00 0.00 H ATOM 1584 HG1 THR A 101 14.570 2.688 -3.510 1.00 0.00 H ATOM 1585 HG23 THR A 101 18.617 3.134 -4.044 1.00 0.00 H ATOM 1586 HG21 THR A 101 17.648 2.342 -5.311 1.00 0.00 H ATOM 1587 HG22 THR A 101 17.482 4.092 -5.027 1.00 0.00 H ATOM 1588 H THR A 101 15.690 1.822 -1.016 1.00 0.00 H ATOM 1589 N PRO A 102 19.026 0.614 -2.501 1.00 13.47 N ATOM 1590 CA PRO A 102 20.366 0.626 -1.914 1.00 12.23 C ATOM 1591 C PRO A 102 21.260 1.617 -2.657 1.00 12.61 C ATOM 1592 O PRO A 102 21.076 1.848 -3.851 1.00 11.87 O ATOM 1593 CB PRO A 102 20.841 -0.824 -2.055 1.00 11.62 C ATOM 1594 CG PRO A 102 20.071 -1.377 -3.206 1.00 10.81 C ATOM 1595 CD PRO A 102 18.793 -0.569 -3.354 1.00 12.30 C ATOM 1596 HA PRO A 102 20.388 0.951 -0.874 1.00 0.00 H ATOM 1597 HD3 PRO A 102 18.636 -0.275 -4.392 1.00 0.00 H ATOM 1598 HD2 PRO A 102 17.931 -1.137 -3.004 1.00 0.00 H ATOM 1599 HG3 PRO A 102 19.827 -2.423 -3.019 1.00 0.00 H ATOM 1600 HG2 PRO A 102 20.664 -1.301 -4.118 1.00 0.00 H ATOM 1601 HB2 PRO A 102 21.911 -0.858 -2.259 1.00 0.00 H ATOM 1602 HB3 PRO A 102 20.628 -1.387 -1.146 1.00 0.00 H ATOM 1603 N ALA A 103 22.214 2.202 -1.933 1.00 10.63 N ATOM 1604 CA ALA A 103 23.156 3.171 -2.486 1.00 11.10 C ATOM 1605 C ALA A 103 24.311 3.417 -1.514 1.00 11.31 C ATOM 1606 O ALA A 103 24.257 3.006 -0.363 1.00 11.03 O ATOM 1607 CB ALA A 103 22.429 4.496 -2.779 1.00 10.83 C ATOM 1608 HA ALA A 103 23.564 2.768 -3.413 1.00 0.00 H ATOM 1609 HB1 ALA A 103 21.629 4.319 -3.498 1.00 0.00 H ATOM 1610 HB2 ALA A 103 22.007 4.890 -1.854 1.00 0.00 H ATOM 1611 HB3 ALA A 103 23.138 5.214 -3.191 1.00 0.00 H ATOM 1612 H ALA A 103 22.291 1.956 -0.925 1.00 0.00 H ATOM 1613 N ASN A 104 25.356 4.080 -1.997 1.00 11.88 N ATOM 1614 CA ASN A 104 26.514 4.429 -1.183 1.00 14.45 C ATOM 1615 C ASN A 104 26.714 5.905 -1.441 1.00 14.30 C ATOM 1616 O ASN A 104 27.112 6.302 -2.537 1.00 15.18 O ATOM 1617 CB ASN A 104 27.768 3.680 -1.627 1.00 18.51 C ATOM 1618 CG ASN A 104 27.579 2.194 -1.614 1.00 23.38 C ATOM 1619 OD1 ASN A 104 27.143 1.609 -2.606 1.00 28.87 O ATOM 1620 ND2 ASN A 104 27.892 1.566 -0.488 1.00 23.13 N ATOM 1621 HA ASN A 104 26.350 4.176 -0.136 1.00 0.00 H ATOM 1622 HB2 ASN A 104 28.023 3.992 -2.640 1.00 0.00 H ATOM 1623 HB3 ASN A 104 28.586 3.935 -0.953 1.00 0.00 H ATOM 1624 HD22 ASN A 104 28.257 2.104 0.323 1.00 0.00 H ATOM 1625 HD21 ASN A 104 27.772 0.535 -0.417 1.00 0.00 H ATOM 1626 H ASN A 104 25.348 4.362 -2.998 1.00 0.00 H ATOM 1627 N MET A 105 26.411 6.721 -0.447 1.00 12.82 N ATOM 1628 CA MET A 105 26.550 8.151 -0.618 1.00 13.76 C ATOM 1629 C MET A 105 27.028 8.780 0.653 1.00 12.98 C ATOM 1630 O MET A 105 27.140 8.125 1.690 1.00 11.12 O ATOM 1631 CB MET A 105 25.209 8.782 -0.999 1.00 14.34 C ATOM 1632 CG MET A 105 24.531 8.133 -2.182 1.00 21.42 C ATOM 1633 SD MET A 105 22.899 8.806 -2.496 1.00 28.60 S ATOM 1634 CE MET A 105 21.886 7.613 -1.677 1.00 29.39 C ATOM 1635 HA MET A 105 27.274 8.324 -1.414 1.00 0.00 H ATOM 1636 HB2 MET A 105 24.541 8.710 -0.141 1.00 0.00 H ATOM 1637 HB3 MET A 105 25.381 9.832 -1.237 1.00 0.00 H ATOM 1638 HG2 MET A 105 24.437 7.065 -1.988 1.00 0.00 H ATOM 1639 HG3 MET A 105 25.149 8.287 -3.067 1.00 0.00 H ATOM 1640 HE1 MET A 105 22.048 6.632 -2.124 1.00 0.00 H ATOM 1641 HE2 MET A 105 22.149 7.579 -0.620 1.00 0.00 H ATOM 1642 HE3 MET A 105 20.838 7.894 -1.783 1.00 0.00 H ATOM 1643 H MET A 105 26.073 6.336 0.458 1.00 0.00 H ATOM 1644 N PHE A 106 27.314 10.067 0.541 1.00 13.11 N ATOM 1645 CA PHE A 106 27.751 10.874 1.659 1.00 13.03 C ATOM 1646 C PHE A 106 26.484 11.308 2.346 1.00 12.90 C ATOM 1647 O PHE A 106 25.407 11.284 1.751 1.00 12.54 O ATOM 1648 CB PHE A 106 28.451 12.134 1.162 1.00 12.55 C ATOM 1649 CG PHE A 106 29.782 11.887 0.573 1.00 10.97 C ATOM 1650 CD1 PHE A 106 30.879 11.662 1.390 1.00 10.57 C ATOM 1651 CD2 PHE A 106 29.954 11.904 -0.800 1.00 13.99 C ATOM 1652 CE1 PHE A 106 32.130 11.464 0.851 1.00 12.17 C ATOM 1653 CE2 PHE A 106 31.210 11.703 -1.350 1.00 14.20 C ATOM 1654 CZ PHE A 106 32.297 11.485 -0.518 1.00 13.42 C ATOM 1655 HA PHE A 106 28.435 10.318 2.301 1.00 0.00 H ATOM 1656 HB2 PHE A 106 27.821 12.600 0.404 1.00 0.00 H ATOM 1657 HB3 PHE A 106 28.569 12.816 2.004 1.00 0.00 H ATOM 1658 HD2 PHE A 106 29.098 12.076 -1.452 1.00 0.00 H ATOM 1659 HE2 PHE A 106 31.343 11.716 -2.432 1.00 0.00 H ATOM 1660 HZ PHE A 106 33.287 11.330 -0.947 1.00 0.00 H ATOM 1661 HE1 PHE A 106 32.986 11.291 1.504 1.00 0.00 H ATOM 1662 HD1 PHE A 106 30.749 11.642 2.472 1.00 0.00 H ATOM 1663 H PHE A 106 27.221 10.518 -0.391 1.00 0.00 H ATOM 1664 N TYR A 107 26.606 11.698 3.605 1.00 12.27 N ATOM 1665 CA TYR A 107 25.451 12.202 4.316 1.00 12.23 C ATOM 1666 C TYR A 107 25.865 13.479 5.021 1.00 10.83 C ATOM 1667 O TYR A 107 27.037 13.675 5.364 1.00 10.60 O ATOM 1668 CB TYR A 107 24.890 11.179 5.306 1.00 9.84 C ATOM 1669 CG TYR A 107 25.849 10.679 6.357 1.00 11.34 C ATOM 1670 CD1 TYR A 107 26.546 9.477 6.177 1.00 11.33 C ATOM 1671 CD2 TYR A 107 26.002 11.357 7.577 1.00 10.34 C ATOM 1672 CE1 TYR A 107 27.371 8.959 7.194 1.00 11.92 C ATOM 1673 CE2 TYR A 107 26.823 10.851 8.600 1.00 10.23 C ATOM 1674 CZ TYR A 107 27.503 9.649 8.401 1.00 11.05 C ATOM 1675 OH TYR A 107 28.304 9.123 9.397 1.00 12.65 O ATOM 1676 HA TYR A 107 24.647 12.401 3.608 1.00 0.00 H ATOM 1677 HB3 TYR A 107 24.543 10.318 4.735 1.00 0.00 H ATOM 1678 HB2 TYR A 107 24.045 11.639 5.818 1.00 0.00 H ATOM 1679 HD2 TYR A 107 25.472 12.297 7.734 1.00 0.00 H ATOM 1680 HE2 TYR A 107 26.927 11.393 9.540 1.00 0.00 H ATOM 1681 HE1 TYR A 107 27.905 8.022 7.039 1.00 0.00 H ATOM 1682 HD1 TYR A 107 26.448 8.935 5.236 1.00 0.00 H ATOM 1683 HH TYR A 107 28.704 8.274 9.083 1.00 0.00 H ATOM 1684 H TYR A 107 27.529 11.642 4.081 1.00 0.00 H ATOM 1685 N ILE A 108 24.896 14.370 5.164 1.00 11.56 N ATOM 1686 CA ILE A 108 25.091 15.633 5.839 1.00 12.40 C ATOM 1687 C ILE A 108 24.108 15.612 7.003 1.00 10.66 C ATOM 1688 O ILE A 108 22.918 15.441 6.799 1.00 11.82 O ATOM 1689 CB ILE A 108 24.765 16.811 4.903 1.00 12.31 C ATOM 1690 CG1 ILE A 108 25.791 16.851 3.762 1.00 9.62 C ATOM 1691 CG2 ILE A 108 24.743 18.126 5.709 1.00 13.42 C ATOM 1692 CD1 ILE A 108 25.445 17.818 2.648 1.00 10.86 C ATOM 1693 HA ILE A 108 26.124 15.761 6.163 1.00 0.00 H ATOM 1694 HB ILE A 108 23.777 16.682 4.461 1.00 0.00 H ATOM 1695 HG12 ILE A 108 26.755 17.141 4.179 1.00 0.00 H ATOM 1696 HG13 ILE A 108 25.867 15.851 3.335 1.00 0.00 H ATOM 1697 HD11 ILE A 108 24.488 17.536 2.208 1.00 0.00 H ATOM 1698 HD12 ILE A 108 25.377 18.828 3.053 1.00 0.00 H ATOM 1699 HD13 ILE A 108 26.222 17.783 1.884 1.00 0.00 H ATOM 1700 HG21 ILE A 108 23.982 18.061 6.487 1.00 0.00 H ATOM 1701 HG22 ILE A 108 25.719 18.287 6.166 1.00 0.00 H ATOM 1702 HG23 ILE A 108 24.512 18.956 5.041 1.00 0.00 H ATOM 1703 H ILE A 108 23.956 14.152 4.775 1.00 0.00 H ATOM 1704 N VAL A 109 24.607 15.757 8.222 1.00 11.21 N ATOM 1705 CA VAL A 109 23.730 15.744 9.385 1.00 10.60 C ATOM 1706 C VAL A 109 23.801 17.042 10.169 1.00 10.54 C ATOM 1707 O VAL A 109 24.857 17.684 10.245 1.00 9.72 O ATOM 1708 CB VAL A 109 24.083 14.603 10.367 1.00 9.78 C ATOM 1709 CG1 VAL A 109 23.447 13.304 9.901 1.00 12.15 C ATOM 1710 CG2 VAL A 109 25.618 14.464 10.493 1.00 10.50 C ATOM 1711 HA VAL A 109 22.728 15.600 8.981 1.00 0.00 H ATOM 1712 HB VAL A 109 23.686 14.840 11.354 1.00 0.00 H ATOM 1713 HG11 VAL A 109 22.364 13.424 9.863 1.00 0.00 H ATOM 1714 HG12 VAL A 109 23.821 13.053 8.908 1.00 0.00 H ATOM 1715 HG13 VAL A 109 23.701 12.506 10.599 1.00 0.00 H ATOM 1716 HG21 VAL A 109 26.043 14.238 9.515 1.00 0.00 H ATOM 1717 HG22 VAL A 109 26.037 15.399 10.865 1.00 0.00 H ATOM 1718 HG23 VAL A 109 25.853 13.657 11.187 1.00 0.00 H ATOM 1719 H VAL A 109 25.632 15.881 8.349 1.00 0.00 H ATOM 1720 N ALA A 110 22.660 17.433 10.725 1.00 9.90 N ATOM 1721 CA ALA A 110 22.577 18.613 11.571 1.00 7.93 C ATOM 1722 C ALA A 110 22.808 18.048 12.976 1.00 8.86 C ATOM 1723 O ALA A 110 22.261 16.994 13.334 1.00 7.98 O ATOM 1724 CB ALA A 110 21.186 19.236 11.476 1.00 10.09 C ATOM 1725 HA ALA A 110 23.287 19.393 11.295 1.00 0.00 H ATOM 1726 HB1 ALA A 110 20.988 19.523 10.443 1.00 0.00 H ATOM 1727 HB2 ALA A 110 20.441 18.510 11.802 1.00 0.00 H ATOM 1728 HB3 ALA A 110 21.140 20.118 12.115 1.00 0.00 H ATOM 1729 H ALA A 110 21.798 16.878 10.550 1.00 0.00 H ATOM 1730 N CYS A 111 23.635 18.722 13.763 1.00 8.61 N ATOM 1731 CA CYS A 111 23.927 18.274 15.114 1.00 9.05 C ATOM 1732 C CYS A 111 23.748 19.424 16.081 1.00 11.71 C ATOM 1733 O CYS A 111 23.895 20.598 15.720 1.00 9.08 O ATOM 1734 CB CYS A 111 25.358 17.758 15.231 1.00 9.49 C ATOM 1735 SG CYS A 111 25.799 16.495 14.002 1.00 9.70 S ATOM 1736 HA CYS A 111 23.239 17.462 15.352 1.00 0.00 H ATOM 1737 HB2 CYS A 111 25.486 17.328 16.224 1.00 0.00 H ATOM 1738 HB3 CYS A 111 26.037 18.603 15.112 1.00 0.00 H ATOM 1739 H CYS A 111 24.084 19.589 13.406 1.00 0.00 H ATOM 1740 N ASP A 112 23.437 19.064 17.315 1.00 11.89 N ATOM 1741 CA ASP A 112 23.239 20.033 18.374 1.00 15.06 C ATOM 1742 C ASP A 112 23.747 19.475 19.694 1.00 14.09 C ATOM 1743 O ASP A 112 24.175 18.324 19.784 1.00 13.26 O ATOM 1744 CB ASP A 112 21.752 20.363 18.518 1.00 18.02 C ATOM 1745 CG ASP A 112 21.511 21.670 19.271 1.00 24.15 C ATOM 1746 OD1 ASP A 112 22.486 22.368 19.649 1.00 27.25 O ATOM 1747 OD2 ASP A 112 20.330 22.005 19.483 1.00 29.12 O ATOM 1748 HA ASP A 112 23.792 20.937 18.119 1.00 0.00 H ATOM 1749 HB2 ASP A 112 21.315 20.447 17.523 1.00 0.00 H ATOM 1750 HB3 ASP A 112 21.265 19.552 19.060 1.00 0.00 H ATOM 1751 H ASP A 112 23.331 18.053 17.532 1.00 0.00 H ATOM 1752 N ASN A 113 23.716 20.322 20.712 1.00 11.95 N ATOM 1753 CA ASN A 113 24.100 19.914 22.029 1.00 9.87 C ATOM 1754 C ASN A 113 22.973 18.990 22.453 1.00 8.48 C ATOM 1755 O ASN A 113 21.814 19.192 22.063 1.00 9.82 O ATOM 1756 CB ASN A 113 24.171 21.129 22.935 1.00 9.98 C ATOM 1757 CG ASN A 113 25.351 21.982 22.618 1.00 10.50 C ATOM 1758 OD1 ASN A 113 26.414 21.465 22.287 1.00 14.70 O ATOM 1759 ND2 ASN A 113 25.185 23.288 22.707 1.00 14.20 N ATOM 1760 HA ASN A 113 25.076 19.431 22.073 1.00 0.00 H ATOM 1761 HB2 ASN A 113 23.263 21.719 22.808 1.00 0.00 H ATOM 1762 HB3 ASN A 113 24.244 20.795 23.970 1.00 0.00 H ATOM 1763 HD22 ASN A 113 24.264 23.677 22.992 1.00 0.00 H ATOM 1764 HD21 ASN A 113 25.976 23.929 22.492 1.00 0.00 H ATOM 1765 H ASN A 113 23.407 21.302 20.551 1.00 0.00 H ATOM 1766 N ARG A 114 23.316 17.984 23.240 1.00 8.94 N ATOM 1767 CA ARG A 114 22.349 17.008 23.718 1.00 11.07 C ATOM 1768 C ARG A 114 21.245 17.609 24.599 1.00 12.22 C ATOM 1769 O ARG A 114 21.399 18.697 25.156 1.00 11.32 O ATOM 1770 CB ARG A 114 23.079 15.920 24.508 1.00 10.98 C ATOM 1771 CG ARG A 114 23.536 16.365 25.897 1.00 11.25 C ATOM 1772 CD ARG A 114 24.112 15.209 26.705 1.00 13.88 C ATOM 1773 NE ARG A 114 24.667 15.684 27.968 1.00 14.40 N ATOM 1774 CZ ARG A 114 23.973 15.777 29.101 1.00 15.97 C ATOM 1775 NH1 ARG A 114 22.695 15.423 29.131 1.00 13.89 N ATOM 1776 NH2 ARG A 114 24.552 16.248 30.200 1.00 14.22 N ATOM 1777 HA ARG A 114 21.859 16.600 22.834 1.00 0.00 H ATOM 1778 HB2 ARG A 114 22.407 15.070 24.623 1.00 0.00 H ATOM 1779 HB3 ARG A 114 23.957 15.613 23.939 1.00 0.00 H ATOM 1780 HG2 ARG A 114 24.301 17.134 25.787 1.00 0.00 H ATOM 1781 HG3 ARG A 114 22.682 16.779 26.433 1.00 0.00 H ATOM 1782 HD2 ARG A 114 24.900 14.727 26.127 1.00 0.00 H ATOM 1783 HD3 ARG A 114 23.321 14.488 26.911 1.00 0.00 H ATOM 1784 HE ARG A 114 25.667 15.968 27.985 1.00 0.00 H ATOM 1785 HH12 ARG A 114 22.156 15.497 30.017 1.00 0.00 H ATOM 1786 HH11 ARG A 114 22.232 15.072 28.268 1.00 0.00 H ATOM 1787 HH22 ARG A 114 24.009 16.320 31.084 1.00 0.00 H ATOM 1788 HH21 ARG A 114 25.548 16.545 30.176 1.00 0.00 H ATOM 1789 H ARG A 114 24.311 17.887 23.527 1.00 0.00 H ATOM 1790 N ASP A 115 20.130 16.890 24.693 1.00 13.85 N ATOM 1791 CA ASP A 115 18.996 17.267 25.542 1.00 16.04 C ATOM 1792 C ASP A 115 19.564 17.024 26.936 1.00 15.78 C ATOM 1793 O ASP A 115 19.776 15.881 27.331 1.00 15.22 O ATOM 1794 CB ASP A 115 17.811 16.322 25.267 1.00 17.27 C ATOM 1795 CG ASP A 115 16.632 16.535 26.219 1.00 19.17 C ATOM 1796 OD1 ASP A 115 16.827 16.506 27.448 1.00 20.19 O ATOM 1797 OD2 ASP A 115 15.499 16.711 25.730 1.00 20.19 O ATOM 1798 HA ASP A 115 18.625 18.280 25.388 1.00 0.00 H ATOM 1799 HB2 ASP A 115 17.466 16.488 24.246 1.00 0.00 H ATOM 1800 HB3 ASP A 115 18.157 15.294 25.370 1.00 0.00 H ATOM 1801 H ASP A 115 20.059 16.015 24.135 1.00 0.00 H ATOM 1802 N GLN A 116 19.834 18.103 27.662 1.00 18.92 N ATOM 1803 CA GLN A 116 20.425 18.023 28.997 1.00 19.49 C ATOM 1804 C GLN A 116 19.790 17.018 29.941 1.00 19.33 C ATOM 1805 O GLN A 116 20.486 16.254 30.605 1.00 17.24 O ATOM 1806 CB GLN A 116 20.403 19.400 29.660 1.00 23.32 C ATOM 1807 CG GLN A 116 21.519 20.316 29.198 1.00 29.24 C ATOM 1808 CD GLN A 116 22.864 19.889 29.737 1.00 30.50 C ATOM 1809 OE1 GLN A 116 22.956 19.325 30.832 1.00 33.05 O ATOM 1810 NE2 GLN A 116 23.919 20.155 28.975 1.00 34.80 N ATOM 1811 HA GLN A 116 21.441 17.667 28.824 1.00 0.00 H ATOM 1812 HB2 GLN A 116 19.450 19.877 29.433 1.00 0.00 H ATOM 1813 HB3 GLN A 116 20.492 19.265 30.738 1.00 0.00 H ATOM 1814 HG2 GLN A 116 21.556 20.303 28.109 1.00 0.00 H ATOM 1815 HG3 GLN A 116 21.308 21.329 29.541 1.00 0.00 H ATOM 1816 HE22 GLN A 116 23.792 20.632 28.060 1.00 0.00 H ATOM 1817 HE21 GLN A 116 24.872 19.886 29.294 1.00 0.00 H ATOM 1818 H GLN A 116 19.617 19.040 27.266 1.00 0.00 H ATOM 1819 N ARG A 117 18.464 17.019 29.984 1.00 19.42 N ATOM 1820 CA ARG A 117 17.712 16.148 30.876 1.00 20.51 C ATOM 1821 C ARG A 117 17.531 14.714 30.441 1.00 18.04 C ATOM 1822 O ARG A 117 17.541 13.823 31.275 1.00 17.65 O ATOM 1823 CB ARG A 117 16.320 16.738 31.122 1.00 23.44 C ATOM 1824 CG ARG A 117 16.119 17.321 32.506 1.00 29.24 C ATOM 1825 CD ARG A 117 14.819 18.101 32.582 1.00 35.66 C ATOM 1826 NE ARG A 117 15.030 19.449 33.096 1.00 39.90 N ATOM 1827 CZ ARG A 117 14.820 19.801 34.360 1.00 43.85 C ATOM 1828 NH1 ARG A 117 14.392 18.901 35.241 1.00 47.21 N ATOM 1829 NH2 ARG A 117 15.045 21.052 34.747 1.00 45.68 N ATOM 1830 HA ARG A 117 18.332 16.108 31.772 1.00 0.00 H ATOM 1831 HB2 ARG A 117 16.152 17.529 30.391 1.00 0.00 H ATOM 1832 HB3 ARG A 117 15.584 15.947 30.975 1.00 0.00 H ATOM 1833 HG2 ARG A 117 16.092 16.511 33.234 1.00 0.00 H ATOM 1834 HG3 ARG A 117 16.950 17.988 32.737 1.00 0.00 H ATOM 1835 HD2 ARG A 117 14.129 17.575 33.241 1.00 0.00 H ATOM 1836 HD3 ARG A 117 14.387 18.167 31.583 1.00 0.00 H ATOM 1837 HE ARG A 117 15.365 20.178 32.434 1.00 0.00 H ATOM 1838 HH12 ARG A 117 14.228 19.178 36.230 1.00 0.00 H ATOM 1839 HH11 ARG A 117 14.221 17.920 34.941 1.00 0.00 H ATOM 1840 HH22 ARG A 117 14.881 21.328 35.736 1.00 0.00 H ATOM 1841 HH21 ARG A 117 15.385 21.755 34.061 1.00 0.00 H ATOM 1842 H ARG A 117 17.943 17.665 29.358 1.00 0.00 H ATOM 1843 N ARG A 118 17.374 14.491 29.140 1.00 17.39 N ATOM 1844 CA ARG A 118 17.099 13.151 28.634 1.00 17.31 C ATOM 1845 C ARG A 118 18.171 12.412 27.841 1.00 17.49 C ATOM 1846 O ARG A 118 18.143 11.181 27.757 1.00 15.75 O ATOM 1847 CB ARG A 118 15.801 13.194 27.825 1.00 15.84 C ATOM 1848 CG ARG A 118 14.588 13.454 28.705 1.00 17.49 C ATOM 1849 CD ARG A 118 13.303 13.594 27.916 1.00 16.64 C ATOM 1850 NE ARG A 118 13.386 14.634 26.900 1.00 15.22 N ATOM 1851 CZ ARG A 118 12.570 14.703 25.854 1.00 18.10 C ATOM 1852 NH1 ARG A 118 11.619 13.790 25.702 1.00 16.31 N ATOM 1853 NH2 ARG A 118 12.698 15.685 24.971 1.00 16.58 N ATOM 1854 HA ARG A 118 17.043 12.552 29.543 1.00 0.00 H ATOM 1855 HB2 ARG A 118 15.875 13.989 27.083 1.00 0.00 H ATOM 1856 HB3 ARG A 118 15.670 12.238 27.319 1.00 0.00 H ATOM 1857 HG2 ARG A 118 14.479 12.623 29.402 1.00 0.00 H ATOM 1858 HG3 ARG A 118 14.755 14.375 29.264 1.00 0.00 H ATOM 1859 HD2 ARG A 118 12.494 13.840 28.604 1.00 0.00 H ATOM 1860 HD3 ARG A 118 13.086 12.644 27.428 1.00 0.00 H ATOM 1861 HE ARG A 118 14.123 15.361 26.999 1.00 0.00 H ATOM 1862 HH12 ARG A 118 10.977 13.839 24.885 1.00 0.00 H ATOM 1863 HH11 ARG A 118 11.516 13.026 26.400 1.00 0.00 H ATOM 1864 HH22 ARG A 118 12.057 15.736 24.153 1.00 0.00 H ATOM 1865 HH21 ARG A 118 13.439 16.404 25.097 1.00 0.00 H ATOM 1866 H ARG A 118 17.448 15.285 28.472 1.00 0.00 H ATOM 1867 N ASP A 119 19.105 13.153 27.253 1.00 17.28 N ATOM 1868 CA ASP A 119 20.174 12.528 26.488 1.00 15.98 C ATOM 1869 C ASP A 119 21.314 12.094 27.399 1.00 16.52 C ATOM 1870 O ASP A 119 21.701 12.808 28.325 1.00 18.79 O ATOM 1871 CB ASP A 119 20.697 13.490 25.431 1.00 12.33 C ATOM 1872 CG ASP A 119 19.882 13.438 24.158 1.00 17.21 C ATOM 1873 OD1 ASP A 119 19.311 12.356 23.859 1.00 15.80 O ATOM 1874 OD2 ASP A 119 19.810 14.471 23.456 1.00 15.14 O ATOM 1875 HA ASP A 119 19.766 11.643 25.999 1.00 0.00 H ATOM 1876 HB2 ASP A 119 20.661 14.504 25.830 1.00 0.00 H ATOM 1877 HB3 ASP A 119 21.729 13.229 25.198 1.00 0.00 H ATOM 1878 H ASP A 119 19.072 14.189 27.340 1.00 0.00 H ATOM 1879 N PRO A 120 21.862 10.904 27.155 1.00 17.20 N ATOM 1880 CA PRO A 120 22.964 10.449 28.000 1.00 17.10 C ATOM 1881 C PRO A 120 24.174 11.388 27.873 1.00 15.72 C ATOM 1882 O PRO A 120 24.512 11.854 26.780 1.00 13.27 O ATOM 1883 CB PRO A 120 23.244 9.037 27.497 1.00 17.88 C ATOM 1884 CG PRO A 120 22.711 9.016 26.103 1.00 20.22 C ATOM 1885 CD PRO A 120 21.514 9.923 26.116 1.00 18.99 C ATOM 1886 HA PRO A 120 22.731 10.453 29.065 1.00 0.00 H ATOM 1887 HD3 PRO A 120 21.376 10.407 25.149 1.00 0.00 H ATOM 1888 HD2 PRO A 120 20.609 9.376 26.379 1.00 0.00 H ATOM 1889 HG3 PRO A 120 22.419 8.004 25.822 1.00 0.00 H ATOM 1890 HG2 PRO A 120 23.461 9.384 25.403 1.00 0.00 H ATOM 1891 HB2 PRO A 120 24.315 8.832 27.502 1.00 0.00 H ATOM 1892 HB3 PRO A 120 22.732 8.300 28.115 1.00 0.00 H ATOM 1893 N PRO A 121 24.822 11.690 29.004 1.00 14.85 N ATOM 1894 CA PRO A 121 25.992 12.573 29.054 1.00 13.88 C ATOM 1895 C PRO A 121 27.194 12.089 28.248 1.00 13.22 C ATOM 1896 O PRO A 121 28.103 12.862 27.954 1.00 12.28 O ATOM 1897 CB PRO A 121 26.311 12.670 30.543 1.00 15.99 C ATOM 1898 CG PRO A 121 25.642 11.480 31.167 1.00 19.17 C ATOM 1899 CD PRO A 121 24.436 11.196 30.338 1.00 14.70 C ATOM 1900 HA PRO A 121 25.769 13.534 28.590 1.00 0.00 H ATOM 1901 HD3 PRO A 121 24.221 10.128 30.313 1.00 0.00 H ATOM 1902 HD2 PRO A 121 23.566 11.732 30.717 1.00 0.00 H ATOM 1903 HG3 PRO A 121 25.351 11.705 32.193 1.00 0.00 H ATOM 1904 HG2 PRO A 121 26.315 10.622 31.162 1.00 0.00 H ATOM 1905 HB2 PRO A 121 27.388 12.633 30.707 1.00 0.00 H ATOM 1906 HB3 PRO A 121 25.913 13.595 30.960 1.00 0.00 H ATOM 1907 N GLN A 122 27.201 10.809 27.899 1.00 14.23 N ATOM 1908 CA GLN A 122 28.303 10.238 27.131 1.00 14.95 C ATOM 1909 C GLN A 122 28.576 11.034 25.851 1.00 12.83 C ATOM 1910 O GLN A 122 29.719 11.152 25.437 1.00 11.84 O ATOM 1911 CB GLN A 122 28.002 8.773 26.773 1.00 16.34 C ATOM 1912 CG GLN A 122 28.602 8.316 25.443 1.00 19.28 C ATOM 1913 CD GLN A 122 28.501 6.817 25.215 1.00 21.68 C ATOM 1914 OE1 GLN A 122 27.446 6.210 25.409 1.00 22.31 O ATOM 1915 NE2 GLN A 122 29.607 6.212 24.792 1.00 21.63 N ATOM 1916 HA GLN A 122 29.194 10.286 27.757 1.00 0.00 H ATOM 1917 HB2 GLN A 122 28.401 8.139 27.564 1.00 0.00 H ATOM 1918 HB3 GLN A 122 26.920 8.649 26.721 1.00 0.00 H ATOM 1919 HG2 GLN A 122 28.077 8.824 24.634 1.00 0.00 H ATOM 1920 HG3 GLN A 122 29.655 8.598 25.424 1.00 0.00 H ATOM 1921 HE22 GLN A 122 30.476 6.763 24.641 1.00 0.00 H ATOM 1922 HE21 GLN A 122 29.603 5.188 24.612 1.00 0.00 H ATOM 1923 H GLN A 122 26.405 10.200 28.178 1.00 0.00 H ATOM 1924 N TYR A 123 27.527 11.584 25.241 1.00 12.26 N ATOM 1925 CA TYR A 123 27.670 12.334 23.992 1.00 12.05 C ATOM 1926 C TYR A 123 27.184 13.770 24.123 1.00 11.55 C ATOM 1927 O TYR A 123 25.998 14.034 23.960 1.00 10.39 O ATOM 1928 CB TYR A 123 26.864 11.658 22.865 1.00 11.51 C ATOM 1929 CG TYR A 123 27.371 10.292 22.444 1.00 11.73 C ATOM 1930 CD1 TYR A 123 28.674 10.124 22.009 1.00 11.33 C ATOM 1931 CD2 TYR A 123 26.540 9.171 22.482 1.00 11.95 C ATOM 1932 CE1 TYR A 123 29.149 8.870 21.619 1.00 14.82 C ATOM 1933 CE2 TYR A 123 27.004 7.914 22.094 1.00 10.84 C ATOM 1934 CZ TYR A 123 28.309 7.774 21.666 1.00 13.52 C ATOM 1935 OH TYR A 123 28.795 6.542 21.292 1.00 16.60 O ATOM 1936 HA TYR A 123 28.734 12.342 23.756 1.00 0.00 H ATOM 1937 HB3 TYR A 123 26.888 12.311 21.993 1.00 0.00 H ATOM 1938 HB2 TYR A 123 25.835 11.547 23.205 1.00 0.00 H ATOM 1939 HD2 TYR A 123 25.510 9.280 22.821 1.00 0.00 H ATOM 1940 HE2 TYR A 123 26.341 7.049 22.128 1.00 0.00 H ATOM 1941 HE1 TYR A 123 30.178 8.756 21.279 1.00 0.00 H ATOM 1942 HD1 TYR A 123 29.341 10.985 21.970 1.00 0.00 H ATOM 1943 HH TYR A 123 29.742 6.632 21.016 1.00 0.00 H ATOM 1944 H TYR A 123 26.582 11.478 25.663 1.00 0.00 H ATOM 1945 N PRO A 124 28.091 14.717 24.408 1.00 11.72 N ATOM 1946 CA PRO A 124 27.637 16.108 24.531 1.00 10.96 C ATOM 1947 C PRO A 124 27.009 16.626 23.238 1.00 11.29 C ATOM 1948 O PRO A 124 26.089 17.439 23.274 1.00 11.08 O ATOM 1949 CB PRO A 124 28.910 16.877 24.882 1.00 10.15 C ATOM 1950 CG PRO A 124 30.035 15.992 24.400 1.00 10.58 C ATOM 1951 CD PRO A 124 29.540 14.591 24.641 1.00 9.42 C ATOM 1952 HA PRO A 124 26.854 16.220 25.281 1.00 0.00 H ATOM 1953 HD3 PRO A 124 29.992 13.888 23.941 1.00 0.00 H ATOM 1954 HD2 PRO A 124 29.748 14.270 25.662 1.00 0.00 H ATOM 1955 HG3 PRO A 124 30.946 16.182 24.967 1.00 0.00 H ATOM 1956 HG2 PRO A 124 30.228 16.156 23.340 1.00 0.00 H ATOM 1957 HB2 PRO A 124 28.932 17.840 24.371 1.00 0.00 H ATOM 1958 HB3 PRO A 124 28.979 17.036 25.958 1.00 0.00 H ATOM 1959 N VAL A 125 27.498 16.139 22.100 1.00 10.04 N ATOM 1960 CA VAL A 125 27.001 16.586 20.794 1.00 10.66 C ATOM 1961 C VAL A 125 26.383 15.404 20.038 1.00 8.77 C ATOM 1962 O VAL A 125 26.985 14.334 19.944 1.00 8.56 O ATOM 1963 CB VAL A 125 28.161 17.221 19.966 1.00 9.15 C ATOM 1964 CG1 VAL A 125 27.651 17.658 18.601 1.00 7.82 C ATOM 1965 CG2 VAL A 125 28.755 18.409 20.728 1.00 7.30 C ATOM 1966 HA VAL A 125 26.232 17.343 20.945 1.00 0.00 H ATOM 1967 HB VAL A 125 28.944 16.477 19.817 1.00 0.00 H ATOM 1968 HG11 VAL A 125 27.261 16.792 18.066 1.00 0.00 H ATOM 1969 HG12 VAL A 125 26.858 18.394 18.730 1.00 0.00 H ATOM 1970 HG13 VAL A 125 28.470 18.099 18.033 1.00 0.00 H ATOM 1971 HG21 VAL A 125 27.980 19.157 20.894 1.00 0.00 H ATOM 1972 HG22 VAL A 125 29.143 18.066 21.687 1.00 0.00 H ATOM 1973 HG23 VAL A 125 29.564 18.846 20.143 1.00 0.00 H ATOM 1974 H VAL A 125 28.252 15.423 22.137 1.00 0.00 H ATOM 1975 N VAL A 126 25.188 15.607 19.494 1.00 8.65 N ATOM 1976 CA VAL A 126 24.471 14.530 18.810 1.00 8.63 C ATOM 1977 C VAL A 126 23.765 14.930 17.504 1.00 7.91 C ATOM 1978 O VAL A 126 23.451 16.104 17.278 1.00 9.89 O ATOM 1979 CB VAL A 126 23.388 13.922 19.764 1.00 7.61 C ATOM 1980 CG1 VAL A 126 24.049 13.104 20.897 1.00 9.56 C ATOM 1981 CG2 VAL A 126 22.557 15.042 20.377 1.00 9.52 C ATOM 1982 HA VAL A 126 25.249 13.815 18.543 1.00 0.00 H ATOM 1983 HB VAL A 126 22.750 13.261 19.178 1.00 0.00 H ATOM 1984 HG11 VAL A 126 24.632 12.291 20.464 1.00 0.00 H ATOM 1985 HG12 VAL A 126 24.704 13.753 21.478 1.00 0.00 H ATOM 1986 HG13 VAL A 126 23.275 12.693 21.545 1.00 0.00 H ATOM 1987 HG21 VAL A 126 23.208 15.706 20.945 1.00 0.00 H ATOM 1988 HG22 VAL A 126 22.065 15.604 19.583 1.00 0.00 H ATOM 1989 HG23 VAL A 126 21.805 14.614 21.040 1.00 0.00 H ATOM 1990 H VAL A 126 24.753 16.550 19.555 1.00 0.00 H ATOM 1991 N PRO A 127 23.543 13.959 16.605 1.00 8.05 N ATOM 1992 CA PRO A 127 22.854 14.273 15.355 1.00 5.83 C ATOM 1993 C PRO A 127 21.380 14.445 15.712 1.00 5.69 C ATOM 1994 O PRO A 127 20.872 13.730 16.567 1.00 7.13 O ATOM 1995 CB PRO A 127 23.091 13.036 14.494 1.00 7.69 C ATOM 1996 CG PRO A 127 23.267 11.926 15.478 1.00 6.46 C ATOM 1997 CD PRO A 127 23.953 12.538 16.671 1.00 7.88 C ATOM 1998 HA PRO A 127 23.188 15.173 14.838 1.00 0.00 H ATOM 1999 HD3 PRO A 127 23.613 12.075 17.598 1.00 0.00 H ATOM 2000 HD2 PRO A 127 25.036 12.439 16.593 1.00 0.00 H ATOM 2001 HG3 PRO A 127 23.882 11.134 15.051 1.00 0.00 H ATOM 2002 HG2 PRO A 127 22.299 11.517 15.766 1.00 0.00 H ATOM 2003 HB2 PRO A 127 22.235 12.846 13.847 1.00 0.00 H ATOM 2004 HB3 PRO A 127 23.986 13.156 13.884 1.00 0.00 H ATOM 2005 N VAL A 128 20.701 15.408 15.096 1.00 6.73 N ATOM 2006 CA VAL A 128 19.277 15.635 15.372 1.00 8.10 C ATOM 2007 C VAL A 128 18.414 15.679 14.117 1.00 8.50 C ATOM 2008 O VAL A 128 17.191 15.718 14.215 1.00 10.32 O ATOM 2009 CB VAL A 128 19.040 16.954 16.155 1.00 7.55 C ATOM 2010 CG1 VAL A 128 19.776 16.906 17.505 1.00 6.87 C ATOM 2011 CG2 VAL A 128 19.493 18.148 15.325 1.00 5.34 C ATOM 2012 HA VAL A 128 18.979 14.776 15.974 1.00 0.00 H ATOM 2013 HB VAL A 128 17.974 17.065 16.352 1.00 0.00 H ATOM 2014 HG11 VAL A 128 19.401 16.068 18.092 1.00 0.00 H ATOM 2015 HG12 VAL A 128 20.844 16.780 17.331 1.00 0.00 H ATOM 2016 HG13 VAL A 128 19.602 17.837 18.045 1.00 0.00 H ATOM 2017 HG21 VAL A 128 20.555 18.051 15.101 1.00 0.00 H ATOM 2018 HG22 VAL A 128 18.926 18.178 14.395 1.00 0.00 H ATOM 2019 HG23 VAL A 128 19.321 19.066 15.887 1.00 0.00 H ATOM 2020 H VAL A 128 21.189 16.013 14.405 1.00 0.00 H ATOM 2021 N HIS A 129 19.049 15.665 12.943 1.00 10.38 N ATOM 2022 CA HIS A 129 18.333 15.713 11.672 1.00 10.79 C ATOM 2023 C HIS A 129 19.229 15.202 10.549 1.00 11.66 C ATOM 2024 O HIS A 129 20.431 15.488 10.526 1.00 10.76 O ATOM 2025 CB HIS A 129 17.937 17.167 11.319 1.00 15.85 C ATOM 2026 CG HIS A 129 16.789 17.713 12.119 1.00 19.90 C ATOM 2027 ND1 HIS A 129 15.534 17.142 12.115 1.00 22.40 N ATOM 2028 CD2 HIS A 129 16.709 18.783 12.949 1.00 20.75 C ATOM 2029 CE1 HIS A 129 14.731 17.835 12.905 1.00 21.93 C ATOM 2030 NE2 HIS A 129 15.420 18.836 13.424 1.00 21.08 N ATOM 2031 HA HIS A 129 17.442 15.094 11.774 1.00 0.00 H ATOM 2032 HB2 HIS A 129 18.804 17.806 11.487 1.00 0.00 H ATOM 2033 HB3 HIS A 129 17.663 17.199 10.265 1.00 0.00 H ATOM 2034 HD2 HIS A 129 17.517 19.473 13.194 1.00 0.00 H ATOM 2035 HE1 HIS A 129 13.680 17.618 13.095 1.00 0.00 H ATOM 2036 H HIS A 129 20.088 15.618 12.934 1.00 0.00 H ATOM 2037 N LEU A 130 18.647 14.452 9.616 1.00 10.10 N ATOM 2038 CA LEU A 130 19.402 13.986 8.466 1.00 11.08 C ATOM 2039 C LEU A 130 19.073 15.057 7.458 1.00 11.37 C ATOM 2040 O LEU A 130 17.973 15.080 6.909 1.00 12.33 O ATOM 2041 CB LEU A 130 18.889 12.639 7.960 1.00 10.73 C ATOM 2042 CG LEU A 130 19.574 12.180 6.659 1.00 13.36 C ATOM 2043 CD1 LEU A 130 21.107 12.216 6.859 1.00 10.39 C ATOM 2044 CD2 LEU A 130 19.091 10.762 6.254 1.00 12.64 C ATOM 2045 HA LEU A 130 20.462 13.838 8.672 1.00 0.00 H ATOM 2046 HB2 LEU A 130 19.068 11.888 8.730 1.00 0.00 H ATOM 2047 HB3 LEU A 130 17.818 12.722 7.777 1.00 0.00 H ATOM 2048 HG LEU A 130 19.306 12.855 5.846 1.00 0.00 H ATOM 2049 HD21 LEU A 130 19.334 10.056 7.048 1.00 0.00 H ATOM 2050 HD22 LEU A 130 18.012 10.778 6.098 1.00 0.00 H ATOM 2051 HD23 LEU A 130 19.589 10.460 5.333 1.00 0.00 H ATOM 2052 HD11 LEU A 130 21.417 13.233 7.100 1.00 0.00 H ATOM 2053 HD12 LEU A 130 21.381 11.548 7.676 1.00 0.00 H ATOM 2054 HD13 LEU A 130 21.599 11.892 5.942 1.00 0.00 H ATOM 2055 H LEU A 130 17.643 14.197 9.711 1.00 0.00 H ATOM 2056 N ASP A 131 20.004 15.965 7.216 1.00 11.69 N ATOM 2057 CA ASP A 131 19.707 17.038 6.283 1.00 14.33 C ATOM 2058 C ASP A 131 19.745 16.645 4.810 1.00 14.97 C ATOM 2059 O ASP A 131 18.922 17.124 4.005 1.00 16.49 O ATOM 2060 CB ASP A 131 20.648 18.227 6.510 1.00 14.83 C ATOM 2061 CG ASP A 131 20.133 19.493 5.856 1.00 17.16 C ATOM 2062 OD1 ASP A 131 20.627 19.855 4.765 1.00 16.21 O ATOM 2063 OD2 ASP A 131 19.220 20.122 6.431 1.00 18.00 O ATOM 2064 HA ASP A 131 18.673 17.309 6.498 1.00 0.00 H ATOM 2065 HB2 ASP A 131 20.745 18.399 7.582 1.00 0.00 H ATOM 2066 HB3 ASP A 131 21.625 17.987 6.091 1.00 0.00 H ATOM 2067 H ASP A 131 20.931 15.912 7.685 1.00 0.00 H ATOM 2068 N ARG A 132 20.670 15.764 4.451 1.00 13.58 N ATOM 2069 CA ARG A 132 20.800 15.403 3.055 1.00 16.64 C ATOM 2070 C ARG A 132 21.760 14.250 2.765 1.00 16.74 C ATOM 2071 O ARG A 132 22.696 13.998 3.521 1.00 16.44 O ATOM 2072 CB ARG A 132 21.283 16.642 2.295 1.00 17.46 C ATOM 2073 CG ARG A 132 20.924 16.677 0.835 1.00 21.45 C ATOM 2074 CD ARG A 132 19.973 17.826 0.563 1.00 20.55 C ATOM 2075 NE ARG A 132 19.660 17.920 -0.856 1.00 23.35 N ATOM 2076 CZ ARG A 132 18.646 18.615 -1.350 1.00 25.64 C ATOM 2077 NH1 ARG A 132 17.833 19.288 -0.539 1.00 26.24 N ATOM 2078 NH2 ARG A 132 18.443 18.630 -2.659 1.00 28.19 N ATOM 2079 HA ARG A 132 19.818 15.054 2.735 1.00 0.00 H ATOM 2080 HB2 ARG A 132 20.848 17.521 2.771 1.00 0.00 H ATOM 2081 HB3 ARG A 132 22.369 16.686 2.377 1.00 0.00 H ATOM 2082 HG2 ARG A 132 21.830 16.810 0.243 1.00 0.00 H ATOM 2083 HG3 ARG A 132 20.445 15.738 0.558 1.00 0.00 H ATOM 2084 HD2 ARG A 132 20.436 18.757 0.888 1.00 0.00 H ATOM 2085 HD3 ARG A 132 19.051 17.666 1.122 1.00 0.00 H ATOM 2086 HE ARG A 132 20.271 17.409 -1.524 1.00 0.00 H ATOM 2087 HH12 ARG A 132 17.039 19.832 -0.933 1.00 0.00 H ATOM 2088 HH11 ARG A 132 17.992 19.270 0.489 1.00 0.00 H ATOM 2089 HH22 ARG A 132 17.650 19.173 -3.056 1.00 0.00 H ATOM 2090 HH21 ARG A 132 19.077 18.099 -3.290 1.00 0.00 H ATOM 2091 H ARG A 132 21.295 15.337 5.165 1.00 0.00 H ATOM 2092 N ILE A 133 21.502 13.541 1.671 1.00 16.70 N ATOM 2093 CA ILE A 133 22.397 12.482 1.237 1.00 19.48 C ATOM 2094 C ILE A 133 22.875 12.985 -0.118 1.00 21.48 C ATOM 2095 O ILE A 133 22.079 13.434 -0.948 1.00 21.56 O ATOM 2096 CB ILE A 133 21.711 11.072 1.113 1.00 20.47 C ATOM 2097 CG1 ILE A 133 20.323 11.166 0.484 1.00 21.72 C ATOM 2098 CG2 ILE A 133 21.589 10.439 2.503 1.00 22.55 C ATOM 2099 CD1 ILE A 133 19.572 9.835 0.470 1.00 19.78 C ATOM 2100 HA ILE A 133 23.193 12.306 1.960 1.00 0.00 H ATOM 2101 HB ILE A 133 22.335 10.457 0.465 1.00 0.00 H ATOM 2102 HG12 ILE A 133 19.735 11.889 1.050 1.00 0.00 H ATOM 2103 HG13 ILE A 133 20.432 11.513 -0.544 1.00 0.00 H ATOM 2104 HD11 ILE A 133 20.143 9.103 -0.102 1.00 0.00 H ATOM 2105 HD12 ILE A 133 19.445 9.480 1.493 1.00 0.00 H ATOM 2106 HD13 ILE A 133 18.594 9.976 0.009 1.00 0.00 H ATOM 2107 HG21 ILE A 133 22.582 10.323 2.937 1.00 0.00 H ATOM 2108 HG22 ILE A 133 20.985 11.083 3.142 1.00 0.00 H ATOM 2109 HG23 ILE A 133 21.114 9.462 2.415 1.00 0.00 H ATOM 2110 H ILE A 133 20.646 13.747 1.117 1.00 0.00 H ATOM 2111 N ILE A 134 24.185 12.955 -0.315 1.00 24.55 N ATOM 2112 CA ILE A 134 24.802 13.434 -1.548 1.00 26.25 C ATOM 2113 C ILE A 134 25.887 12.466 -1.942 1.00 27.13 C ATOM 2114 O ILE A 134 26.498 12.702 -3.002 1.00 31.49 O ATOM 2115 CB ILE A 134 25.485 14.805 -1.365 1.00 26.39 C ATOM 2116 CG1 ILE A 134 25.365 15.265 0.087 1.00 27.61 C ATOM 2117 CG2 ILE A 134 24.889 15.820 -2.320 1.00 28.11 C ATOM 2118 CD1 ILE A 134 24.032 15.905 0.414 1.00 29.92 C ATOM 2119 HA ILE A 134 24.014 13.521 -2.296 1.00 0.00 H ATOM 2120 OXT ILE A 134 26.120 11.507 -1.180 1.00 27.92 O ATOM 2121 HB ILE A 134 26.545 14.710 -1.599 1.00 0.00 H ATOM 2122 HG12 ILE A 134 25.500 14.399 0.735 1.00 0.00 H ATOM 2123 HG13 ILE A 134 26.154 15.991 0.285 1.00 0.00 H ATOM 2124 HD11 ILE A 134 23.886 16.781 -0.218 1.00 0.00 H ATOM 2125 HD12 ILE A 134 23.232 15.187 0.233 1.00 0.00 H ATOM 2126 HD13 ILE A 134 24.022 16.205 1.462 1.00 0.00 H ATOM 2127 HG21 ILE A 134 25.036 15.482 -3.346 1.00 0.00 H ATOM 2128 HG22 ILE A 134 23.823 15.923 -2.120 1.00 0.00 H ATOM 2129 HG23 ILE A 134 25.381 16.782 -2.179 1.00 0.00 H ATOM 2130 H ILE A 134 24.796 12.576 0.437 1.00 0.00 H TER 2131 ILE A 134 HETATM 2132 O HOH 1 10.270 13.987 12.533 1.00 22.75 O HETATM 2133 O HOH 2 5.321 15.388 20.506 1.00 13.85 O HETATM 2134 O HOH 3 12.437 17.442 22.328 1.00 17.74 O HETATM 2135 O HOH 4 8.756 16.773 20.166 1.00 19.19 O HETATM 2136 O HOH 5 8.067 17.054 17.465 1.00 26.99 O HETATM 2137 O HOH 6 17.300 18.752 22.582 1.00 27.67 O HETATM 2138 O HOH 7 9.933 15.712 23.776 1.00 10.93 O HETATM 2139 O HOH 8 4.328 6.628 21.128 1.00 22.02 O HETATM 2140 O HOH 9 34.643 6.107 8.542 1.00 24.48 O HETATM 2141 O HOH 10 20.627 -1.002 9.600 1.00 15.82 O HETATM 2142 O HOH 11 15.304 16.576 22.624 1.00 16.28 O HETATM 2143 O HOH 12 16.475 5.832 20.129 1.00 17.82 O HETATM 2144 O HOH 13 19.479 7.303 24.537 1.00 35.03 O HETATM 2145 O HOH 14 11.220 13.638 -4.186 1.00 31.14 O HETATM 2146 O HOH 15 6.466 7.875 -5.089 1.00 33.82 O HETATM 2147 O HOH 16 15.943 12.434 12.689 1.00 16.10 O HETATM 2148 O HOH 17 30.881 2.550 5.599 1.00 19.32 O HETATM 2149 O HOH 18 32.162 6.590 7.372 1.00 20.76 O HETATM 2150 O HOH 19 32.510 7.819 9.562 1.00 15.73 O HETATM 2151 O HOH 20 21.859 1.997 17.446 1.00 17.65 O HETATM 2152 O HOH 21 15.420 3.143 17.822 1.00 12.13 O HETATM 2153 O HOH 22 21.249 -0.323 14.653 1.00 10.91 O HETATM 2154 O HOH 23 13.834 2.169 14.034 1.00 9.53 O HETATM 2155 O HOH 24 36.667 11.689 13.492 1.00 32.74 O HETATM 2156 O HOH 25 18.703 -3.861 9.092 1.00 13.37 O HETATM 2157 O HOH 26 17.721 -1.593 14.305 1.00 12.73 O HETATM 2158 O HOH 27 13.669 -7.797 11.792 1.00 28.53 O HETATM 2159 O HOH 28 10.174 -3.848 12.865 1.00 38.02 O HETATM 2160 O HOH 29 15.133 -5.758 14.643 1.00 15.94 O HETATM 2161 O HOH 30 12.503 -8.965 7.866 1.00 34.07 O HETATM 2162 O HOH 31 19.939 -4.070 3.160 1.00 24.35 O HETATM 2163 O HOH 32 22.211 -7.941 3.151 1.00 21.93 O HETATM 2164 O HOH 33 17.796 -4.018 2.205 1.00 23.53 O HETATM 2165 O HOH 34 16.521 -7.909 8.217 1.00 11.84 O HETATM 2166 O HOH 35 20.428 25.973 13.796 1.00 22.21 O HETATM 2167 O HOH 36 21.934 25.131 16.208 1.00 30.39 O HETATM 2168 O HOH 37 5.286 0.094 6.510 1.00 15.43 O HETATM 2169 O HOH 38 6.186 -4.648 1.290 1.00 20.03 O HETATM 2170 O HOH 39 28.439 21.190 17.776 1.00 28.13 O HETATM 2171 O HOH 40 12.838 0.403 11.801 1.00 7.20 O HETATM 2172 O HOH 41 7.325 -3.033 13.157 1.00 29.99 O HETATM 2173 O HOH 42 9.261 3.998 -5.197 1.00 25.37 O HETATM 2174 O HOH 43 2.485 3.662 19.122 1.00 26.58 O HETATM 2175 O HOH 44 -3.043 7.642 15.511 1.00 13.56 O HETATM 2176 O HOH 45 6.291 12.439 4.858 1.00 16.96 O HETATM 2177 O HOH 46 12.653 16.209 30.412 1.00 31.64 O HETATM 2178 O HOH 47 -0.391 8.412 6.519 1.00 27.26 O HETATM 2179 O HOH 48 1.606 9.213 3.416 1.00 23.13 O HETATM 2180 O HOH 49 22.998 10.380 22.708 1.00 23.03 O HETATM 2181 O HOH 50 8.174 12.603 -2.885 1.00 36.51 O HETATM 2182 O HOH 51 7.880 8.531 -2.475 1.00 26.31 O HETATM 2183 O HOH 52 17.242 11.375 2.799 1.00 18.95 O HETATM 2184 O HOH 53 29.295 2.591 7.754 1.00 17.78 O HETATM 2185 O HOH 54 27.885 -0.835 6.568 1.00 20.07 O HETATM 2186 O HOH 55 30.570 5.249 8.352 1.00 12.81 O HETATM 2187 O HOH 56 24.516 2.721 16.538 1.00 15.40 O HETATM 2188 O HOH 57 27.109 3.450 17.983 1.00 16.53 O HETATM 2189 O HOH 58 31.223 8.809 18.884 1.00 31.61 O HETATM 2190 O HOH 59 32.480 9.035 11.917 1.00 19.21 O HETATM 2191 O HOH 60 33.180 6.192 15.335 1.00 19.86 O HETATM 2192 O HOH 61 36.500 9.185 17.615 1.00 30.18 O HETATM 2193 O HOH 62 33.013 11.252 19.726 1.00 14.82 O HETATM 2194 O HOH 63 34.319 11.594 11.539 1.00 16.49 O HETATM 2195 O HOH 64 34.215 7.432 19.226 1.00 33.44 O HETATM 2196 O HOH 65 35.346 14.510 13.595 1.00 20.98 O HETATM 2197 O HOH 66 34.515 12.021 8.930 1.00 11.41 O HETATM 2198 O HOH 67 37.403 16.293 10.651 1.00 34.42 O HETATM 2199 O HOH 68 31.584 18.933 7.300 1.00 13.88 O HETATM 2200 O HOH 69 32.560 26.464 8.920 1.00 16.53 O HETATM 2201 O HOH 70 33.375 25.590 13.973 1.00 18.69 O HETATM 2202 O HOH 71 27.971 28.904 5.911 1.00 32.68 O HETATM 2203 O HOH 72 14.670 25.514 3.788 1.00 29.23 O HETATM 2204 O HOH 73 16.612 21.934 6.579 1.00 27.52 O HETATM 2205 O HOH 74 30.426 29.356 10.334 1.00 20.03 O HETATM 2206 O HOH 75 22.797 27.719 12.735 1.00 24.06 O HETATM 2207 O HOH 76 19.334 22.204 10.784 1.00 16.73 O HETATM 2208 O HOH 77 21.571 22.171 16.693 1.00 21.60 O HETATM 2209 O HOH 78 18.439 21.701 13.231 1.00 34.49 O HETATM 2210 O HOH 79 26.589 21.404 14.962 1.00 14.42 O HETATM 2211 O HOH 80 33.435 16.877 6.774 1.00 23.51 O HETATM 2212 O HOH 81 32.704 9.473 8.082 1.00 14.32 O HETATM 2213 O HOH 82 36.629 5.860 3.206 1.00 30.27 O HETATM 2214 O HOH 83 34.967 4.515 4.538 1.00 30.60 O HETATM 2215 O HOH 84 35.851 9.238 7.020 1.00 25.90 O HETATM 2216 O HOH 85 34.001 7.589 0.324 1.00 19.40 O HETATM 2217 O HOH 86 30.133 9.990 -5.892 1.00 49.84 O HETATM 2218 O HOH 87 32.335 4.910 5.139 1.00 19.07 O HETATM 2219 O HOH 88 28.061 10.382 -3.219 1.00 26.01 O HETATM 2220 O HOH 89 22.938 0.051 0.793 1.00 18.15 O HETATM 2221 O HOH 90 13.262 3.342 -2.518 1.00 19.95 O HETATM 2222 O HOH 91 8.803 8.525 -5.258 1.00 31.39 O HETATM 2223 O HOH 92 6.827 5.071 -5.016 1.00 25.87 O HETATM 2224 O HOH 93 -0.283 7.244 3.876 1.00 14.93 O HETATM 2225 O HOH 94 -9.932 3.303 1.261 1.00 37.03 O HETATM 2226 O HOH 95 -3.512 2.556 12.109 1.00 27.15 O HETATM 2227 O HOH 96 3.678 1.638 8.208 1.00 15.64 O HETATM 2228 O HOH 97 9.856 -2.554 1.325 1.00 13.37 O HETATM 2229 O HOH 98 12.755 -1.779 -4.085 1.00 14.56 O HETATM 2230 O HOH 99 20.065 0.797 -6.263 1.00 21.22 O HETATM 2231 O HOH 100 25.431 4.474 -4.910 1.00 25.25 O HETATM 2232 O HOH 101 29.082 -1.116 0.131 1.00 30.22 O HETATM 2233 O HOH 102 18.247 19.929 19.324 1.00 19.17 O HETATM 2234 O HOH 103 19.332 17.848 21.137 1.00 15.09 O HETATM 2235 O HOH 104 26.860 21.862 19.517 1.00 28.03 O HETATM 2236 O HOH 105 27.281 15.383 27.957 1.00 17.02 O HETATM 2237 O HOH 106 14.202 17.397 28.357 1.00 29.02 O HETATM 2238 O HOH 107 16.502 19.197 28.857 1.00 22.15 O HETATM 2239 O HOH 108 19.023 20.750 26.839 1.00 27.66 O HETATM 2240 O HOH 109 14.553 20.219 38.810 1.00 32.74 O HETATM 2241 O HOH 110 10.885 11.666 27.554 1.00 16.24 O HETATM 2242 O HOH 111 20.498 10.388 22.741 1.00 29.17 O HETATM 2243 O HOH 112 18.615 15.224 21.346 1.00 9.28 O HETATM 2244 O HOH 113 20.848 12.674 30.693 1.00 27.13 O HETATM 2245 O HOH 114 23.794 12.434 24.482 1.00 10.15 O HETATM 2246 O HOH 115 26.054 8.569 29.521 1.00 17.68 O HETATM 2247 O HOH 116 26.402 4.151 23.994 1.00 22.80 O HETATM 2248 O HOH 117 31.524 11.191 23.584 1.00 23.29 O HETATM 2249 O HOH 118 31.617 6.196 20.987 1.00 23.05 O HETATM 2250 O HOH 119 27.489 4.198 20.908 1.00 21.16 O HETATM 2251 O HOH 120 29.007 13.816 21.501 1.00 9.45 O HETATM 2252 O HOH 121 15.440 13.992 15.030 1.00 13.71 O HETATM 2253 O HOH 122 15.166 20.677 15.831 1.00 33.16 O HETATM 2254 O HOH 123 16.199 16.755 5.447 1.00 27.15 O HETATM 2255 O HOH 124 18.616 19.127 8.846 1.00 18.91 O HETATM 2256 O HOH 125 21.644 16.098 -2.324 1.00 26.07 O HETATM 2257 O HOH 126 18.504 14.288 0.569 1.00 31.04 O HETATM 2258 O HOH 127 20.267 11.457 -3.634 1.00 40.33 O HETATM 2259 O HOH 128 15.385 10.598 5.158 1.00 13.07 O HETATM 2260 O HOH 129 16.717 15.572 0.000 1.00 30.55 O HETATM 2261 O HOH 130 16.135 17.956 8.253 1.00 27.69 O HETATM 2262 O HOH 131 17.094 13.312 4.410 1.00 28.10 O HETATM 2263 O HOH 132 14.462 16.844 0.097 1.00 27.13 O HETATM 2264 PB ADP A 133 14.596 14.374 9.630 1.00 0.21 P HETATM 2265 O1B ADP A 133 14.616 15.712 10.348 1.00 -0.59 O HETATM 2266 O2B ADP A 133 15.918 13.671 9.860 1.00 -0.59 O HETATM 2267 O3B ADP A 133 13.444 13.543 10.163 1.00 -0.59 O HETATM 2268 O3A ADP A 133 14.366 14.604 8.145 1.00 -0.15 O HETATM 2269 PA ADP A 133 14.064 13.720 6.935 1.00 0.33 P HETATM 2270 O1A ADP A 133 14.370 12.249 7.172 1.00 -0.56 O HETATM 2271 O2A ADP A 133 14.724 14.252 5.676 1.00 -0.56 O HETATM 2272 O5 ADP A 133 12.456 13.806 6.675 1.00 -0.24 O HETATM 2273 C5 ADP A 133 11.770 15.078 6.622 1.00 0.11 C HETATM 2274 C4 ADP A 133 10.865 15.142 5.406 1.00 0.12 C HETATM 2275 O4 ADP A 133 11.671 15.011 4.200 1.00 -0.34 O HETATM 2276 C1 ADP A 133 11.222 13.901 3.440 1.00 0.20 C HETATM 2277 C2 ADP A 133 10.410 13.024 4.401 1.00 0.14 C HETATM 2278 C3 ADP A 133 9.783 14.065 5.321 1.00 0.11 C HETATM 2279 O3 ADP A 133 8.577 14.577 4.748 1.00 -0.39 O HETATM 2280 H5 ADP A 133 7.927 13.885 4.710 1.00 0.21 H HETATM 2281 H4 ADP A 133 9.568 13.642 6.314 1.00 0.06 H HETATM 2282 O2 ADP A 133 9.431 12.258 3.722 1.00 -0.38 O HETATM 2283 H7 ADP A 133 8.890 12.834 3.194 1.00 0.21 H HETATM 2284 H6 ADP A 133 11.067 12.345 4.965 1.00 0.07 H HETATM 2285 N9 ADP A 133 12.405 13.235 2.877 1.00 -0.19 N HETATM 2286 C8 ADP A 133 13.257 12.364 3.527 1.00 0.11 C HETATM 2287 N7 ADP A 133 14.239 11.916 2.774 1.00 -0.30 N HETATM 2288 C5 ADP A 133 14.028 12.531 1.549 1.00 0.10 C HETATM 2289 C6 ADP A 133 14.733 12.472 0.319 1.00 0.13 C HETATM 2290 N6 ADP A 133 15.832 11.735 0.137 1.00 -0.32 N HETATM 2291 H10 ADP A 133 16.303 11.730 -0.779 1.00 0.18 H HETATM 2292 H11 ADP A 133 16.208 11.171 0.913 1.00 0.18 H HETATM 2293 N1 ADP A 133 14.258 13.209 -0.725 1.00 -0.27 N HETATM 2294 C2 ADP A 133 13.146 13.957 -0.536 1.00 0.05 C HETATM 2295 N3 ADP A 133 12.397 14.092 0.578 1.00 -0.27 N HETATM 2296 C4 ADP A 133 12.896 13.348 1.593 1.00 0.16 C HETATM 2297 H12 ADP A 133 12.812 14.525 -1.397 1.00 0.10 H HETATM 2298 H9 ADP A 133 13.128 12.074 4.569 1.00 0.13 H HETATM 2299 H8 ADP A 133 10.573 14.234 2.616 1.00 0.10 H HETATM 2300 H3 ADP A 133 10.370 16.124 5.412 1.00 0.07 H HETATM 2301 H1 ADP A 133 12.512 15.888 6.564 1.00 0.06 H HETATM 2302 H2 ADP A 133 11.164 15.201 7.532 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 392 391 1313 CONECT 623 622 1498 CONECT 906 905 1735 CONECT 996 995 1141 CONECT 1141 996 1140 CONECT 1313 392 1312 CONECT 1498 623 1497 CONECT 1735 906 1734 CONECT 2264 2265 2266 2267 2268 CONECT 2265 2264 CONECT 2266 2264 CONECT 2267 2264 CONECT 2268 2264 2269 CONECT 2269 2268 2270 2271 2272 CONECT 2270 2269 CONECT 2271 2269 CONECT 2272 2269 2273 CONECT 2273 2272 2274 2301 2302 CONECT 2274 2273 2275 2278 2300 CONECT 2275 2274 2276 CONECT 2276 2275 2277 2285 2299 CONECT 2277 2276 2278 2282 2284 CONECT 2278 2274 2277 2279 2281 CONECT 2279 2278 2280 CONECT 2280 2279 CONECT 2281 2278 CONECT 2282 2277 2283 CONECT 2283 2282 CONECT 2284 2277 CONECT 2285 2276 2286 2296 CONECT 2286 2285 2287 2298 CONECT 2287 2286 2288 CONECT 2288 2287 2289 2296 CONECT 2289 2288 2290 2293 CONECT 2290 2289 2291 2292 CONECT 2291 2290 CONECT 2292 2290 CONECT 2293 2289 2294 CONECT 2294 2293 2295 2297 CONECT 2295 2294 2296 CONECT 2296 2285 2288 2295 CONECT 2297 2294 CONECT 2298 2286 CONECT 2299 2276 CONECT 2300 2274 CONECT 2301 2273 CONECT 2302 2273 MASTER 0 0 0 0 0 0 0 0 2301 1 51 11 END
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PDBbind
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ADP
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PDBbind
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PDBbind
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PDBbind
ADP
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ADP
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PDBbind
ADP
3a1d
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PDBbind
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ADP
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PDBbind
ADP
3k1j
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3llm
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PDBbind
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3ncr
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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Entry Information
PDB ID
1hi5
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease 2
Ligand Name
ADP
EC.Number
E.C.3.1.27.5
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=92uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v276 pp. 15009-17, 2001
Ligand Properties
Formula
C
1
0
H
1
7
N
5
O
1
0
P
2
Molecular Weight
429.217
Exact Mass
429.045
No. of atoms
44
No. of bonds
46
Polar Surface Area
266.1
LOGP Value
-4.89 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-22,26-27H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10153
Entrez Gene ID
NCBI Entrez Gene ID:
6036
ASD
Information of known allosteric effects of PDB entries
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