Browse entries in the PDBbind-CN Database
HEADER 3LK0_COMPLEX COMPND 3LK0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 89 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 A 89 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 A 89 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 A 89 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 A 89 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 A 89 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 A 89 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE SEQRES 1 B 89 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 B 89 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 B 89 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 B 89 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 B 89 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 B 89 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 B 89 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET Z A 80 40 ATOM 1 N MET A 0 18.272 9.059 56.662 1.00 71.10 N ATOM 2 CA MET A 0 16.875 8.510 56.669 1.00 60.54 C ATOM 3 C MET A 0 16.849 7.095 57.214 1.00 53.32 C ATOM 4 O MET A 0 17.770 6.321 56.972 1.00 56.44 O ATOM 5 CB MET A 0 16.272 8.477 55.264 1.00 57.80 C ATOM 6 CG MET A 0 16.232 9.797 54.530 1.00 67.14 C ATOM 7 SD MET A 0 14.576 9.994 53.850 1.00 63.41 S ATOM 8 CE MET A 0 13.945 11.123 55.083 1.00 64.46 C ATOM 9 HA MET A 0 16.290 9.174 57.305 1.00 0.00 H ATOM 10 HB2 MET A 0 16.858 7.780 54.665 1.00 0.00 H ATOM 11 HB3 MET A 0 15.249 8.111 55.348 1.00 0.00 H ATOM 12 HG2 MET A 0 16.967 9.797 53.725 1.00 0.00 H ATOM 13 HG3 MET A 0 16.450 10.613 55.220 1.00 0.00 H ATOM 14 HE1 MET A 0 13.988 10.649 56.064 1.00 0.00 H ATOM 15 HE2 MET A 0 14.552 12.028 55.089 1.00 0.00 H ATOM 16 HE3 MET A 0 12.912 11.378 54.846 1.00 0.00 H ATOM 17 HN3 MET A 0 18.876 8.460 56.064 1.00 0.00 H ATOM 18 HN2 MET A 0 18.644 9.068 57.633 1.00 0.00 H ATOM 19 HN1 MET A 0 18.260 10.028 56.284 1.00 0.00 H ATOM 20 N SER A 1 15.754 6.738 57.880 1.00 46.44 N ATOM 21 CA SER A 1 15.630 5.431 58.521 1.00 42.13 C ATOM 22 C SER A 1 15.217 4.354 57.517 1.00 40.20 C ATOM 23 O SER A 1 14.783 4.673 56.409 1.00 37.62 O ATOM 24 CB SER A 1 14.591 5.499 59.626 1.00 38.75 C ATOM 25 OG SER A 1 13.277 5.539 59.094 1.00 30.60 O ATOM 26 HA SER A 1 16.604 5.168 58.933 1.00 0.00 H ATOM 27 HB2 SER A 1 14.762 6.397 60.220 1.00 0.00 H ATOM 28 HB3 SER A 1 14.690 4.620 60.262 1.00 0.00 H ATOM 29 HG SER A 1 12.623 5.583 59.836 1.00 0.00 H ATOM 30 H SER A 1 14.963 7.409 57.946 1.00 0.00 H ATOM 31 N GLU A 2 15.334 3.084 57.943 1.00 40.41 N ATOM 32 CA GLU A 2 14.864 1.932 57.166 1.00 39.31 C ATOM 33 C GLU A 2 13.459 2.250 56.637 1.00 35.03 C ATOM 34 O GLU A 2 13.223 2.149 55.457 1.00 34.49 O ATOM 35 CB GLU A 2 14.845 0.671 58.070 1.00 40.85 C ATOM 36 CG GLU A 2 14.554 -0.635 57.318 1.00 43.94 C ATOM 37 CD GLU A 2 14.679 -1.895 58.179 1.00 48.27 C ATOM 38 OE1 GLU A 2 14.909 -1.830 59.406 1.00 47.83 O ATOM 39 OE2 GLU A 2 14.514 -2.977 57.614 1.00 55.29 O ATOM 40 HA GLU A 2 15.529 1.735 56.325 1.00 0.00 H ATOM 41 HB2 GLU A 2 15.819 0.580 58.551 1.00 0.00 H ATOM 42 HB3 GLU A 2 14.077 0.807 58.831 1.00 0.00 H ATOM 43 HG2 GLU A 2 13.537 -0.586 56.928 1.00 0.00 H ATOM 44 HG3 GLU A 2 15.256 -0.716 56.488 1.00 0.00 H ATOM 45 H GLU A 2 15.779 2.910 58.867 1.00 0.00 H ATOM 46 N LEU A 3 12.546 2.647 57.534 1.00 32.36 N ATOM 47 CA LEU A 3 11.170 2.955 57.156 1.00 32.00 C ATOM 48 C LEU A 3 11.026 4.117 56.144 1.00 31.33 C ATOM 49 O LEU A 3 10.335 3.969 55.101 1.00 33.58 O ATOM 50 CB LEU A 3 10.294 3.187 58.407 1.00 32.39 C ATOM 51 CG LEU A 3 8.874 2.598 58.486 1.00 37.16 C ATOM 52 CD1 LEU A 3 7.942 3.367 59.422 1.00 36.61 C ATOM 53 CD2 LEU A 3 8.187 2.421 57.144 1.00 37.46 C ATOM 54 HA LEU A 3 10.809 2.074 56.626 1.00 0.00 H ATOM 55 HB2 LEU A 3 10.847 2.784 59.255 1.00 0.00 H ATOM 56 HB3 LEU A 3 10.192 4.266 58.521 1.00 0.00 H ATOM 57 HG LEU A 3 9.054 1.607 58.902 1.00 0.00 H ATOM 58 HD21 LEU A 3 8.101 3.389 56.651 1.00 0.00 H ATOM 59 HD22 LEU A 3 8.775 1.746 56.522 1.00 0.00 H ATOM 60 HD23 LEU A 3 7.193 2.001 57.299 1.00 0.00 H ATOM 61 HD11 LEU A 3 8.354 3.359 60.431 1.00 0.00 H ATOM 62 HD12 LEU A 3 7.849 4.396 59.075 1.00 0.00 H ATOM 63 HD13 LEU A 3 6.960 2.893 59.425 1.00 0.00 H ATOM 64 H LEU A 3 12.827 2.739 58.531 1.00 0.00 H ATOM 65 N GLU A 4 11.714 5.227 56.405 1.00 31.81 N ATOM 66 CA GLU A 4 11.715 6.384 55.474 1.00 33.12 C ATOM 67 C GLU A 4 12.262 6.073 54.110 1.00 34.37 C ATOM 68 O GLU A 4 11.657 6.454 53.100 1.00 35.62 O ATOM 69 CB GLU A 4 12.418 7.602 56.133 1.00 36.14 C ATOM 70 CG GLU A 4 11.678 8.064 57.393 1.00 34.86 C ATOM 71 CD GLU A 4 12.484 8.955 58.320 1.00 40.64 C ATOM 72 OE1 GLU A 4 13.738 8.967 58.213 1.00 43.84 O ATOM 73 OE2 GLU A 4 11.854 9.657 59.174 1.00 41.71 O ATOM 74 HA GLU A 4 10.672 6.642 55.291 1.00 0.00 H ATOM 75 HB2 GLU A 4 13.436 7.320 56.403 1.00 0.00 H ATOM 76 HB3 GLU A 4 12.447 8.424 55.418 1.00 0.00 H ATOM 77 HG2 GLU A 4 10.790 8.615 57.081 1.00 0.00 H ATOM 78 HG3 GLU A 4 11.377 7.178 57.952 1.00 0.00 H ATOM 79 H GLU A 4 12.266 5.285 57.285 1.00 0.00 H ATOM 80 N LYS A 5 13.386 5.354 54.058 1.00 35.72 N ATOM 81 CA LYS A 5 13.930 4.872 52.790 1.00 38.72 C ATOM 82 C LYS A 5 12.904 4.047 52.028 1.00 36.71 C ATOM 83 O LYS A 5 12.812 4.150 50.824 1.00 39.15 O ATOM 84 CB LYS A 5 15.185 4.020 53.021 1.00 42.38 C ATOM 85 CG LYS A 5 16.401 4.801 53.494 1.00 49.79 C ATOM 86 CD LYS A 5 17.694 4.072 53.134 1.00 58.95 C ATOM 87 CE LYS A 5 18.747 4.364 54.187 1.00 66.16 C ATOM 88 NZ LYS A 5 20.045 4.620 53.530 1.00 76.42 N ATOM 89 HA LYS A 5 14.191 5.750 52.199 1.00 0.00 H ATOM 90 HB2 LYS A 5 14.951 3.266 53.773 1.00 0.00 H ATOM 91 HB3 LYS A 5 15.440 3.528 52.082 1.00 0.00 H ATOM 92 HG2 LYS A 5 16.401 5.783 53.020 1.00 0.00 H ATOM 93 HG3 LYS A 5 16.349 4.921 54.576 1.00 0.00 H ATOM 94 HD2 LYS A 5 17.508 2.999 53.093 1.00 0.00 H ATOM 95 HD3 LYS A 5 18.047 4.415 52.161 1.00 0.00 H ATOM 96 HE2 LYS A 5 18.840 3.508 54.855 1.00 0.00 H ATOM 97 HE3 LYS A 5 18.452 5.241 54.763 1.00 0.00 H ATOM 98 HZ1 LYS A 5 20.326 3.782 52.982 1.00 0.00 H ATOM 99 HZ2 LYS A 5 19.955 5.438 52.894 1.00 0.00 H ATOM 100 HZ3 LYS A 5 20.765 4.820 54.253 1.00 0.00 H ATOM 101 H LYS A 5 13.887 5.131 54.942 1.00 0.00 H ATOM 102 N ALA A 6 12.148 3.220 52.744 1.00 36.13 N ATOM 103 CA ALA A 6 11.159 2.371 52.107 1.00 35.79 C ATOM 104 C ALA A 6 10.003 3.167 51.540 1.00 31.95 C ATOM 105 O ALA A 6 9.564 2.855 50.453 1.00 33.48 O ATOM 106 CB ALA A 6 10.642 1.251 53.060 1.00 37.33 C ATOM 107 HA ALA A 6 11.669 1.887 51.274 1.00 0.00 H ATOM 108 HB1 ALA A 6 11.478 0.624 53.369 1.00 0.00 H ATOM 109 HB2 ALA A 6 10.183 1.706 53.938 1.00 0.00 H ATOM 110 HB3 ALA A 6 9.904 0.643 52.537 1.00 0.00 H ATOM 111 H ALA A 6 12.268 3.181 53.776 1.00 0.00 H ATOM 112 N VAL A 7 9.494 4.164 52.272 1.00 32.36 N ATOM 113 CA VAL A 7 8.471 5.090 51.742 1.00 32.00 C ATOM 114 C VAL A 7 8.952 5.768 50.436 1.00 32.54 C ATOM 115 O VAL A 7 8.290 5.720 49.379 1.00 31.51 O ATOM 116 CB VAL A 7 8.044 6.139 52.816 1.00 34.07 C ATOM 117 CG1 VAL A 7 7.266 7.272 52.192 1.00 36.56 C ATOM 118 CG2 VAL A 7 7.185 5.446 53.900 1.00 34.49 C ATOM 119 HA VAL A 7 7.586 4.503 51.496 1.00 0.00 H ATOM 120 HB VAL A 7 8.944 6.556 53.268 1.00 0.00 H ATOM 121 HG11 VAL A 7 7.886 7.769 51.446 1.00 0.00 H ATOM 122 HG12 VAL A 7 6.369 6.876 51.715 1.00 0.00 H ATOM 123 HG13 VAL A 7 6.983 7.986 52.965 1.00 0.00 H ATOM 124 HG21 VAL A 7 6.297 5.016 53.438 1.00 0.00 H ATOM 125 HG22 VAL A 7 7.768 4.656 54.374 1.00 0.00 H ATOM 126 HG23 VAL A 7 6.887 6.179 54.650 1.00 0.00 H ATOM 127 H VAL A 7 9.830 4.292 53.248 1.00 0.00 H ATOM 128 N VAL A 8 10.125 6.379 50.488 1.00 34.45 N ATOM 129 CA VAL A 8 10.629 7.088 49.298 1.00 37.11 C ATOM 130 C VAL A 8 10.891 6.168 48.091 1.00 36.28 C ATOM 131 O VAL A 8 10.729 6.604 46.944 1.00 37.10 O ATOM 132 CB VAL A 8 11.818 8.008 49.621 1.00 43.11 C ATOM 133 CG1 VAL A 8 11.397 9.102 50.627 1.00 44.65 C ATOM 134 CG2 VAL A 8 12.989 7.208 50.153 1.00 47.93 C ATOM 135 HA VAL A 8 9.814 7.739 48.981 1.00 0.00 H ATOM 136 HB VAL A 8 12.135 8.495 48.699 1.00 0.00 H ATOM 137 HG11 VAL A 8 10.593 9.699 50.197 1.00 0.00 H ATOM 138 HG12 VAL A 8 11.051 8.633 51.548 1.00 0.00 H ATOM 139 HG13 VAL A 8 12.252 9.743 50.843 1.00 0.00 H ATOM 140 HG21 VAL A 8 12.689 6.688 51.063 1.00 0.00 H ATOM 141 HG22 VAL A 8 13.301 6.480 49.404 1.00 0.00 H ATOM 142 HG23 VAL A 8 13.817 7.881 50.374 1.00 0.00 H ATOM 143 H VAL A 8 10.687 6.359 51.363 1.00 0.00 H ATOM 144 N ALA A 9 11.240 4.899 48.365 1.00 36.05 N ATOM 145 CA ALA A 9 11.482 3.891 47.330 1.00 37.88 C ATOM 146 C ALA A 9 10.182 3.559 46.586 1.00 36.07 C ATOM 147 O ALA A 9 10.180 3.487 45.353 1.00 37.82 O ATOM 148 CB ALA A 9 12.171 2.630 47.912 1.00 40.14 C ATOM 149 HA ALA A 9 12.176 4.308 46.601 1.00 0.00 H ATOM 150 HB1 ALA A 9 13.129 2.911 48.351 1.00 0.00 H ATOM 151 HB2 ALA A 9 11.533 2.190 48.679 1.00 0.00 H ATOM 152 HB3 ALA A 9 12.334 1.906 47.114 1.00 0.00 H ATOM 153 H ALA A 9 11.343 4.619 49.361 1.00 0.00 H ATOM 154 N LEU A 10 9.068 3.438 47.319 1.00 34.21 N ATOM 155 CA LEU A 10 7.751 3.204 46.703 1.00 33.65 C ATOM 156 C LEU A 10 7.451 4.300 45.670 1.00 33.43 C ATOM 157 O LEU A 10 7.062 4.001 44.528 1.00 34.31 O ATOM 158 CB LEU A 10 6.627 3.100 47.770 1.00 34.22 C ATOM 159 CG LEU A 10 6.776 1.996 48.853 1.00 33.80 C ATOM 160 CD1 LEU A 10 5.648 2.004 49.878 1.00 36.60 C ATOM 161 CD2 LEU A 10 6.936 0.556 48.267 1.00 38.68 C ATOM 162 HA LEU A 10 7.780 2.244 46.188 1.00 0.00 H ATOM 163 HB2 LEU A 10 6.573 4.059 48.285 1.00 0.00 H ATOM 164 HB3 LEU A 10 5.690 2.919 47.243 1.00 0.00 H ATOM 165 HG LEU A 10 7.706 2.256 49.359 1.00 0.00 H ATOM 166 HD21 LEU A 10 6.058 0.308 47.670 1.00 0.00 H ATOM 167 HD22 LEU A 10 7.826 0.517 47.640 1.00 0.00 H ATOM 168 HD23 LEU A 10 7.034 -0.159 49.084 1.00 0.00 H ATOM 169 HD11 LEU A 10 5.630 2.967 50.389 1.00 0.00 H ATOM 170 HD12 LEU A 10 4.697 1.842 49.371 1.00 0.00 H ATOM 171 HD13 LEU A 10 5.814 1.209 50.605 1.00 0.00 H ATOM 172 H LEU A 10 9.135 3.511 48.354 1.00 0.00 H ATOM 173 N ILE A 11 7.680 5.549 46.078 1.00 33.34 N ATOM 174 CA ILE A 11 7.509 6.726 45.211 1.00 35.92 C ATOM 175 C ILE A 11 8.439 6.747 43.998 1.00 36.90 C ATOM 176 O ILE A 11 7.970 6.996 42.880 1.00 38.03 O ATOM 177 CB ILE A 11 7.596 7.984 46.033 1.00 38.61 C ATOM 178 CG1 ILE A 11 6.486 7.944 47.110 1.00 39.32 C ATOM 179 CG2 ILE A 11 7.403 9.292 45.171 1.00 46.03 C ATOM 180 CD1 ILE A 11 6.656 8.921 48.190 1.00 42.18 C ATOM 181 HA ILE A 11 6.512 6.663 44.776 1.00 0.00 H ATOM 182 HB ILE A 11 8.593 8.020 46.473 1.00 0.00 H ATOM 183 HG12 ILE A 11 5.530 8.137 46.623 1.00 0.00 H ATOM 184 HG13 ILE A 11 6.473 6.947 47.550 1.00 0.00 H ATOM 185 HD11 ILE A 11 7.602 8.737 48.700 1.00 0.00 H ATOM 186 HD12 ILE A 11 6.658 9.927 47.771 1.00 0.00 H ATOM 187 HD13 ILE A 11 5.834 8.823 48.900 1.00 0.00 H ATOM 188 HG21 ILE A 11 8.178 9.339 44.406 1.00 0.00 H ATOM 189 HG22 ILE A 11 6.422 9.271 44.696 1.00 0.00 H ATOM 190 HG23 ILE A 11 7.476 10.166 45.818 1.00 0.00 H ATOM 191 H ILE A 11 7.995 5.699 47.058 1.00 0.00 H ATOM 192 N ASP A 12 9.742 6.534 44.243 1.00 35.98 N ATOM 193 CA ASP A 12 10.811 6.578 43.268 1.00 39.31 C ATOM 194 C ASP A 12 10.579 5.498 42.172 1.00 37.70 C ATOM 195 O ASP A 12 10.676 5.789 40.959 1.00 37.77 O ATOM 196 CB ASP A 12 12.106 6.315 44.060 1.00 43.18 C ATOM 197 CG ASP A 12 13.330 6.301 43.221 1.00 49.82 C ATOM 198 OD1 ASP A 12 13.313 6.906 42.145 1.00 54.40 O ATOM 199 OD2 ASP A 12 14.333 5.699 43.670 1.00 55.54 O ATOM 200 HA ASP A 12 10.861 7.536 42.751 1.00 0.00 H ATOM 201 HB2 ASP A 12 12.214 7.097 44.812 1.00 0.00 H ATOM 202 HB3 ASP A 12 12.017 5.347 44.554 1.00 0.00 H ATOM 203 H ASP A 12 10.008 6.317 45.225 1.00 0.00 H ATOM 204 N VAL A 13 10.258 4.279 42.608 1.00 35.03 N ATOM 205 CA VAL A 13 9.928 3.177 41.688 1.00 36.21 C ATOM 206 C VAL A 13 8.672 3.488 40.852 1.00 35.19 C ATOM 207 O VAL A 13 8.715 3.389 39.617 1.00 35.21 O ATOM 208 CB VAL A 13 9.889 1.800 42.397 1.00 37.75 C ATOM 209 CG1 VAL A 13 9.567 0.644 41.390 1.00 41.72 C ATOM 210 CG2 VAL A 13 11.241 1.509 43.023 1.00 42.58 C ATOM 211 HA VAL A 13 10.746 3.096 40.972 1.00 0.00 H ATOM 212 HB VAL A 13 9.107 1.845 43.155 1.00 0.00 H ATOM 213 HG11 VAL A 13 8.595 0.824 40.931 1.00 0.00 H ATOM 214 HG12 VAL A 13 10.335 0.613 40.617 1.00 0.00 H ATOM 215 HG13 VAL A 13 9.548 -0.306 41.924 1.00 0.00 H ATOM 216 HG21 VAL A 13 12.005 1.494 42.245 1.00 0.00 H ATOM 217 HG22 VAL A 13 11.477 2.285 43.751 1.00 0.00 H ATOM 218 HG23 VAL A 13 11.209 0.540 43.520 1.00 0.00 H ATOM 219 H VAL A 13 10.240 4.101 43.632 1.00 0.00 H ATOM 220 N PHE A 14 7.583 3.937 41.496 1.00 35.09 N ATOM 221 CA PHE A 14 6.360 4.242 40.752 1.00 36.15 C ATOM 222 C PHE A 14 6.667 5.289 39.672 1.00 37.93 C ATOM 223 O PHE A 14 6.357 5.121 38.476 1.00 38.23 O ATOM 224 CB PHE A 14 5.267 4.730 41.734 1.00 37.96 C ATOM 225 CG PHE A 14 3.970 5.173 41.069 1.00 44.75 C ATOM 226 CD1 PHE A 14 2.911 4.253 40.805 1.00 50.40 C ATOM 227 CD2 PHE A 14 3.755 6.516 40.735 1.00 49.37 C ATOM 228 CE1 PHE A 14 1.697 4.664 40.027 1.00 59.39 C ATOM 229 CE2 PHE A 14 2.547 6.935 40.021 1.00 58.49 C ATOM 230 CZ PHE A 14 1.519 6.013 39.624 1.00 61.03 C ATOM 231 HA PHE A 14 5.986 3.347 40.254 1.00 0.00 H ATOM 232 HB2 PHE A 14 5.037 3.915 42.420 1.00 0.00 H ATOM 233 HB3 PHE A 14 5.667 5.574 42.296 1.00 0.00 H ATOM 234 HD2 PHE A 14 4.500 7.262 41.011 1.00 0.00 H ATOM 235 HE2 PHE A 14 2.422 7.991 39.781 1.00 0.00 H ATOM 236 HZ PHE A 14 0.652 6.332 39.046 1.00 0.00 H ATOM 237 HE1 PHE A 14 0.944 3.920 39.768 1.00 0.00 H ATOM 238 HD1 PHE A 14 2.986 3.231 41.177 1.00 0.00 H ATOM 239 H PHE A 14 7.608 4.069 42.527 1.00 0.00 H ATOM 240 N HIS A 15 7.276 6.387 40.091 1.00 38.72 N ATOM 241 CA HIS A 15 7.594 7.431 39.147 1.00 42.37 C ATOM 242 C HIS A 15 8.649 7.128 38.057 1.00 41.69 C ATOM 243 O HIS A 15 8.558 7.675 36.933 1.00 42.72 O ATOM 244 CB HIS A 15 7.774 8.748 39.872 1.00 47.71 C ATOM 245 CG HIS A 15 6.469 9.472 40.039 1.00 56.20 C ATOM 246 ND1 HIS A 15 5.761 9.959 38.962 1.00 63.48 N ATOM 247 CD2 HIS A 15 5.700 9.709 41.128 1.00 58.43 C ATOM 248 CE1 HIS A 15 4.636 10.504 39.387 1.00 68.00 C ATOM 249 NE2 HIS A 15 4.568 10.351 40.692 1.00 63.70 N ATOM 250 HA HIS A 15 6.719 7.506 38.501 1.00 0.00 H ATOM 251 HB2 HIS A 15 8.200 8.554 40.857 1.00 0.00 H ATOM 252 HB3 HIS A 15 8.456 9.376 39.300 1.00 0.00 H ATOM 253 HD2 HIS A 15 5.936 9.440 42.158 1.00 0.00 H ATOM 254 HE1 HIS A 15 3.890 10.997 38.763 1.00 0.00 H ATOM 255 H HIS A 15 7.524 6.497 41.095 1.00 0.00 H ATOM 256 N GLN A 16 9.603 6.236 38.321 1.00 39.05 N ATOM 257 CA GLN A 16 10.465 5.852 37.203 1.00 42.24 C ATOM 258 C GLN A 16 9.704 5.131 36.080 1.00 39.87 C ATOM 259 O GLN A 16 10.008 5.347 34.887 1.00 41.45 O ATOM 260 CB GLN A 16 11.776 5.165 37.598 1.00 44.96 C ATOM 261 CG GLN A 16 11.686 3.974 38.495 1.00 44.42 C ATOM 262 CD GLN A 16 13.083 3.428 38.844 1.00 49.60 C ATOM 263 OE1 GLN A 16 13.757 2.866 38.000 1.00 55.74 O ATOM 264 NE2 GLN A 16 13.512 3.625 40.094 1.00 53.19 N ATOM 265 HA GLN A 16 10.796 6.801 36.782 1.00 0.00 H ATOM 266 HB2 GLN A 16 12.268 4.846 36.679 1.00 0.00 H ATOM 267 HB3 GLN A 16 12.396 5.907 38.101 1.00 0.00 H ATOM 268 HG2 GLN A 16 11.176 4.260 39.415 1.00 0.00 H ATOM 269 HG3 GLN A 16 11.115 3.193 37.993 1.00 0.00 H ATOM 270 HE22 GLN A 16 12.902 4.110 40.783 1.00 0.00 H ATOM 271 HE21 GLN A 16 14.456 3.293 40.378 1.00 0.00 H ATOM 272 H GLN A 16 9.728 5.834 39.272 1.00 0.00 H ATOM 273 N TYR A 17 8.696 4.338 36.451 1.00 36.74 N ATOM 274 CA TYR A 17 7.882 3.584 35.471 1.00 36.25 C ATOM 275 C TYR A 17 6.705 4.371 34.893 1.00 35.85 C ATOM 276 O TYR A 17 6.395 4.255 33.697 1.00 37.50 O ATOM 277 CB TYR A 17 7.449 2.191 36.026 1.00 34.30 C ATOM 278 CG TYR A 17 8.635 1.250 36.086 1.00 35.25 C ATOM 279 CD1 TYR A 17 9.475 1.231 37.197 1.00 37.22 C ATOM 280 CD2 TYR A 17 8.945 0.424 35.012 1.00 35.49 C ATOM 281 CE1 TYR A 17 10.570 0.394 37.252 1.00 38.67 C ATOM 282 CE2 TYR A 17 10.059 -0.420 35.061 1.00 38.33 C ATOM 283 CZ TYR A 17 10.862 -0.412 36.199 1.00 38.14 C ATOM 284 OH TYR A 17 11.982 -1.200 36.282 1.00 43.72 O ATOM 285 HA TYR A 17 8.542 3.409 34.622 1.00 0.00 H ATOM 286 HB3 TYR A 17 6.687 1.766 35.373 1.00 0.00 H ATOM 287 HB2 TYR A 17 7.039 2.316 37.028 1.00 0.00 H ATOM 288 HD2 TYR A 17 8.314 0.434 34.123 1.00 0.00 H ATOM 289 HE2 TYR A 17 10.295 -1.074 34.222 1.00 0.00 H ATOM 290 HE1 TYR A 17 11.201 0.380 38.141 1.00 0.00 H ATOM 291 HD1 TYR A 17 9.263 1.890 38.039 1.00 0.00 H ATOM 292 HH TYR A 17 12.419 -1.059 37.159 1.00 0.00 H ATOM 293 H TYR A 17 8.475 4.247 37.463 1.00 0.00 H ATOM 294 N SER A 18 6.086 5.204 35.722 1.00 35.70 N ATOM 295 CA SER A 18 4.951 6.023 35.296 1.00 35.43 C ATOM 296 C SER A 18 5.343 7.132 34.319 1.00 36.41 C ATOM 297 O SER A 18 4.565 7.468 33.433 1.00 37.38 O ATOM 298 CB SER A 18 4.214 6.608 36.500 1.00 35.23 C ATOM 299 OG SER A 18 5.007 7.626 37.090 1.00 36.05 O ATOM 300 HA SER A 18 4.280 5.353 34.759 1.00 0.00 H ATOM 301 HB2 SER A 18 4.029 5.821 37.231 1.00 0.00 H ATOM 302 HB3 SER A 18 3.263 7.030 36.175 1.00 0.00 H ATOM 303 HG SER A 18 5.173 8.340 36.425 1.00 0.00 H ATOM 304 H SER A 18 6.419 5.276 36.705 1.00 0.00 H ATOM 305 N GLY A 19 6.566 7.630 34.416 1.00 38.55 N ATOM 306 CA GLY A 19 7.006 8.738 33.550 1.00 42.54 C ATOM 307 C GLY A 19 7.601 8.371 32.202 1.00 44.33 C ATOM 308 O GLY A 19 8.148 9.222 31.528 1.00 48.49 O ATOM 309 HA3 GLY A 19 7.759 9.304 34.098 1.00 0.00 H ATOM 310 HA2 GLY A 19 6.140 9.373 33.364 1.00 0.00 H ATOM 311 H GLY A 19 7.226 7.233 35.114 1.00 0.00 H ATOM 312 N ARG A 20 7.519 7.103 31.817 1.00 43.68 N ATOM 313 CA ARG A 20 8.100 6.640 30.558 1.00 45.71 C ATOM 314 C ARG A 20 7.242 6.967 29.341 1.00 46.56 C ATOM 315 O ARG A 20 7.780 7.246 28.280 1.00 49.30 O ATOM 316 CB ARG A 20 8.392 5.133 30.620 1.00 45.22 C ATOM 317 CG ARG A 20 9.529 4.773 31.580 1.00 45.82 C ATOM 318 CD ARG A 20 9.580 3.285 31.897 1.00 46.71 C ATOM 319 NE ARG A 20 10.775 2.956 32.681 1.00 51.05 N ATOM 320 CZ ARG A 20 11.454 1.809 32.622 1.00 54.60 C ATOM 321 NH1 ARG A 20 11.093 0.834 31.787 1.00 55.31 N ATOM 322 NH2 ARG A 20 12.522 1.643 33.399 1.00 56.06 N ATOM 323 HA ARG A 20 9.035 7.186 30.433 1.00 0.00 H ATOM 324 HB2 ARG A 20 7.488 4.619 30.946 1.00 0.00 H ATOM 325 HB3 ARG A 20 8.662 4.792 29.621 1.00 0.00 H ATOM 326 HG2 ARG A 20 10.476 5.066 31.126 1.00 0.00 H ATOM 327 HG3 ARG A 20 9.388 5.324 32.510 1.00 0.00 H ATOM 328 HD2 ARG A 20 9.599 2.722 30.964 1.00 0.00 H ATOM 329 HD3 ARG A 20 8.692 3.011 32.467 1.00 0.00 H ATOM 330 HE ARG A 20 11.124 3.680 33.341 1.00 0.00 H ATOM 331 HH12 ARG A 20 11.636 -0.052 31.757 1.00 0.00 H ATOM 332 HH11 ARG A 20 10.268 0.960 31.166 1.00 0.00 H ATOM 333 HH22 ARG A 20 13.059 0.753 33.362 1.00 0.00 H ATOM 334 HH21 ARG A 20 12.819 2.403 34.043 1.00 0.00 H ATOM 335 H ARG A 20 7.028 6.420 32.428 1.00 0.00 H ATOM 336 N GLU A 21 5.916 6.907 29.480 1.00 43.99 N ATOM 337 CA GLU A 21 5.024 7.137 28.333 1.00 46.76 C ATOM 338 C GLU A 21 3.714 7.799 28.740 1.00 45.78 C ATOM 339 O GLU A 21 3.168 7.495 29.777 1.00 42.92 O ATOM 340 CB GLU A 21 4.726 5.824 27.611 1.00 46.76 C ATOM 341 CG GLU A 21 5.263 5.772 26.189 1.00 55.38 C ATOM 342 CD GLU A 21 6.112 4.575 25.988 1.00 56.74 C ATOM 343 OE1 GLU A 21 5.529 3.463 25.896 1.00 58.70 O ATOM 344 OE2 GLU A 21 7.371 4.745 25.969 1.00 59.36 O ATOM 345 HA GLU A 21 5.549 7.817 27.661 1.00 0.00 H ATOM 346 HB2 GLU A 21 5.175 5.009 28.179 1.00 0.00 H ATOM 347 HB3 GLU A 21 3.645 5.688 27.576 1.00 0.00 H ATOM 348 HG2 GLU A 21 4.426 5.737 25.492 1.00 0.00 H ATOM 349 HG3 GLU A 21 5.856 6.667 25.998 1.00 0.00 H ATOM 350 H GLU A 21 5.507 6.695 30.413 1.00 0.00 H ATOM 351 N GLY A 22 3.219 8.700 27.901 1.00 48.36 N ATOM 352 CA GLY A 22 1.882 9.236 28.098 1.00 49.12 C ATOM 353 C GLY A 22 1.780 9.955 29.424 1.00 47.16 C ATOM 354 O GLY A 22 2.671 10.734 29.768 1.00 47.10 O ATOM 355 HA3 GLY A 22 1.162 8.417 28.079 1.00 0.00 H ATOM 356 HA2 GLY A 22 1.655 9.936 27.294 1.00 0.00 H ATOM 357 H GLY A 22 3.792 9.025 27.096 1.00 0.00 H ATOM 358 N ASP A 23 0.698 9.692 30.163 1.00 46.23 N ATOM 359 CA ASP A 23 0.524 10.286 31.487 1.00 45.10 C ATOM 360 C ASP A 23 1.740 9.997 32.368 1.00 43.20 C ATOM 361 O ASP A 23 2.077 8.823 32.607 1.00 40.19 O ATOM 362 CB ASP A 23 -0.761 9.798 32.163 1.00 45.39 C ATOM 363 CG ASP A 23 -1.162 10.681 33.360 1.00 48.34 C ATOM 364 OD1 ASP A 23 -0.304 11.033 34.194 1.00 47.82 O ATOM 365 OD2 ASP A 23 -2.344 11.031 33.470 1.00 53.25 O ATOM 366 HA ASP A 23 0.435 11.364 31.355 1.00 0.00 H ATOM 367 HB2 ASP A 23 -1.569 9.810 31.431 1.00 0.00 H ATOM 368 HB3 ASP A 23 -0.607 8.778 32.515 1.00 0.00 H ATOM 369 H ASP A 23 -0.033 9.053 29.789 1.00 0.00 H ATOM 370 N LYS A 24 2.408 11.058 32.821 1.00 43.40 N ATOM 371 CA LYS A 24 3.595 10.901 33.657 1.00 44.22 C ATOM 372 C LYS A 24 3.314 10.481 35.110 1.00 42.79 C ATOM 373 O LYS A 24 4.232 10.067 35.813 1.00 43.17 O ATOM 374 CB LYS A 24 4.501 12.129 33.628 1.00 46.40 C ATOM 375 CG LYS A 24 4.821 12.699 32.243 1.00 51.53 C ATOM 376 CD LYS A 24 5.489 11.691 31.322 1.00 51.76 C ATOM 377 CE LYS A 24 5.730 12.320 29.943 1.00 56.03 C ATOM 378 NZ LYS A 24 5.353 11.355 28.874 1.00 54.47 N ATOM 379 HA LYS A 24 4.121 10.065 33.195 1.00 0.00 H ATOM 380 HB2 LYS A 24 4.016 12.915 34.208 1.00 0.00 H ATOM 381 HB3 LYS A 24 5.444 11.858 34.103 1.00 0.00 H ATOM 382 HG2 LYS A 24 3.891 13.029 31.780 1.00 0.00 H ATOM 383 HG3 LYS A 24 5.488 13.553 32.365 1.00 0.00 H ATOM 384 HD2 LYS A 24 6.443 11.386 31.752 1.00 0.00 H ATOM 385 HD3 LYS A 24 4.845 10.818 31.214 1.00 0.00 H ATOM 386 HE2 LYS A 24 6.784 12.578 29.842 1.00 0.00 H ATOM 387 HE3 LYS A 24 5.126 13.222 29.846 1.00 0.00 H ATOM 388 HZ1 LYS A 24 5.931 10.495 28.965 1.00 0.00 H ATOM 389 HZ2 LYS A 24 4.347 11.110 28.969 1.00 0.00 H ATOM 390 HZ3 LYS A 24 5.519 11.788 27.943 1.00 0.00 H ATOM 391 H LYS A 24 2.078 12.013 32.575 1.00 0.00 H ATOM 392 N HIS A 25 2.061 10.552 35.548 1.00 43.36 N ATOM 393 CA HIS A 25 1.711 10.108 36.902 1.00 43.69 C ATOM 394 C HIS A 25 0.835 8.848 36.976 1.00 41.81 C ATOM 395 O HIS A 25 0.234 8.556 38.034 1.00 42.70 O ATOM 396 CB HIS A 25 1.046 11.264 37.653 1.00 48.30 C ATOM 397 CG HIS A 25 1.832 12.540 37.608 1.00 52.10 C ATOM 398 ND1 HIS A 25 2.881 12.798 38.464 1.00 55.74 N ATOM 399 CD2 HIS A 25 1.725 13.626 36.805 1.00 56.22 C ATOM 400 CE1 HIS A 25 3.367 14.003 38.216 1.00 61.19 C ATOM 401 NE2 HIS A 25 2.685 14.527 37.210 1.00 61.81 N ATOM 402 HA HIS A 25 2.650 9.817 37.373 1.00 0.00 H ATOM 403 HB2 HIS A 25 0.067 11.446 37.209 1.00 0.00 H ATOM 404 HB3 HIS A 25 0.922 10.972 38.696 1.00 0.00 H ATOM 405 HD2 HIS A 25 1.013 13.761 35.991 1.00 0.00 H ATOM 406 HE1 HIS A 25 4.188 14.482 38.749 1.00 0.00 H ATOM 407 H HIS A 25 1.319 10.927 34.923 1.00 0.00 H ATOM 408 N LYS A 26 0.751 8.107 35.866 1.00 38.75 N ATOM 409 CA LYS A 26 -0.033 6.851 35.806 1.00 37.55 C ATOM 410 C LYS A 26 0.757 5.772 35.084 1.00 34.40 C ATOM 411 O LYS A 26 1.559 6.090 34.225 1.00 34.95 O ATOM 412 CB LYS A 26 -1.353 7.047 35.035 1.00 38.81 C ATOM 413 CG LYS A 26 -2.419 7.899 35.737 1.00 43.37 C ATOM 414 CD LYS A 26 -3.706 7.957 34.880 1.00 46.00 C ATOM 415 CE LYS A 26 -4.671 9.064 35.321 1.00 49.64 C ATOM 416 NZ LYS A 26 -5.791 9.284 34.284 1.00 54.68 N ATOM 417 HA LYS A 26 -0.245 6.560 36.835 1.00 0.00 H ATOM 418 HB2 LYS A 26 -1.117 7.524 34.084 1.00 0.00 H ATOM 419 HB3 LYS A 26 -1.781 6.062 34.850 1.00 0.00 H ATOM 420 HG2 LYS A 26 -2.651 7.459 36.707 1.00 0.00 H ATOM 421 HG3 LYS A 26 -2.036 8.909 35.881 1.00 0.00 H ATOM 422 HD2 LYS A 26 -3.425 8.134 33.842 1.00 0.00 H ATOM 423 HD3 LYS A 26 -4.218 6.998 34.957 1.00 0.00 H ATOM 424 HE2 LYS A 26 -4.113 9.993 35.443 1.00 0.00 H ATOM 425 HE3 LYS A 26 -5.120 8.784 36.274 1.00 0.00 H ATOM 426 HZ1 LYS A 26 -5.370 9.557 33.373 1.00 0.00 H ATOM 427 HZ2 LYS A 26 -6.331 8.403 34.167 1.00 0.00 H ATOM 428 HZ3 LYS A 26 -6.425 10.039 34.615 1.00 0.00 H ATOM 429 H LYS A 26 1.255 8.424 35.013 1.00 0.00 H ATOM 430 N LEU A 27 0.506 4.504 35.404 1.00 33.76 N ATOM 431 CA LEU A 27 1.064 3.365 34.640 1.00 33.21 C ATOM 432 C LEU A 27 0.054 2.847 33.610 1.00 34.90 C ATOM 433 O LEU A 27 -0.970 2.262 33.993 1.00 36.01 O ATOM 434 CB LEU A 27 1.436 2.206 35.588 1.00 30.92 C ATOM 435 CG LEU A 27 2.383 2.531 36.750 1.00 31.02 C ATOM 436 CD1 LEU A 27 2.285 1.422 37.768 1.00 31.56 C ATOM 437 CD2 LEU A 27 3.789 2.655 36.228 1.00 26.07 C ATOM 438 HA LEU A 27 1.956 3.724 34.126 1.00 0.00 H ATOM 439 HB2 LEU A 27 0.510 1.821 36.016 1.00 0.00 H ATOM 440 HB3 LEU A 27 1.908 1.428 34.987 1.00 0.00 H ATOM 441 HG LEU A 27 2.108 3.476 37.219 1.00 0.00 H ATOM 442 HD21 LEU A 27 4.088 1.714 35.766 1.00 0.00 H ATOM 443 HD22 LEU A 27 3.831 3.454 35.488 1.00 0.00 H ATOM 444 HD23 LEU A 27 4.463 2.886 37.053 1.00 0.00 H ATOM 445 HD11 LEU A 27 1.259 1.353 38.130 1.00 0.00 H ATOM 446 HD12 LEU A 27 2.573 0.478 37.304 1.00 0.00 H ATOM 447 HD13 LEU A 27 2.953 1.637 38.603 1.00 0.00 H ATOM 448 H LEU A 27 -0.105 4.306 36.222 1.00 0.00 H ATOM 449 N LYS A 28 0.332 3.045 32.322 1.00 37.23 N ATOM 450 CA LYS A 28 -0.381 2.313 31.255 1.00 39.47 C ATOM 451 C LYS A 28 0.090 0.860 31.295 1.00 39.24 C ATOM 452 O LYS A 28 1.002 0.542 32.030 1.00 37.50 O ATOM 453 CB LYS A 28 -0.167 2.923 29.855 1.00 41.42 C ATOM 454 CG LYS A 28 1.307 3.035 29.405 1.00 41.81 C ATOM 455 CD LYS A 28 1.533 3.421 27.964 1.00 46.04 C ATOM 456 CE LYS A 28 0.617 4.508 27.434 1.00 53.26 C ATOM 457 NZ LYS A 28 0.565 5.724 28.320 1.00 51.72 N ATOM 458 HA LYS A 28 -1.453 2.382 31.439 1.00 0.00 H ATOM 459 HB2 LYS A 28 -0.695 2.301 29.132 1.00 0.00 H ATOM 460 HB3 LYS A 28 -0.597 3.924 29.854 1.00 0.00 H ATOM 461 HG2 LYS A 28 1.791 3.785 30.031 1.00 0.00 H ATOM 462 HG3 LYS A 28 1.780 2.067 29.569 1.00 0.00 H ATOM 463 HD2 LYS A 28 2.561 3.769 27.865 1.00 0.00 H ATOM 464 HD3 LYS A 28 1.391 2.531 27.350 1.00 0.00 H ATOM 465 HE2 LYS A 28 -0.390 4.100 27.345 1.00 0.00 H ATOM 466 HE3 LYS A 28 0.973 4.811 26.449 1.00 0.00 H ATOM 467 HZ1 LYS A 28 0.217 5.451 29.261 1.00 0.00 H ATOM 468 HZ2 LYS A 28 1.519 6.130 28.406 1.00 0.00 H ATOM 469 HZ3 LYS A 28 -0.077 6.428 27.903 1.00 0.00 H ATOM 470 H LYS A 28 1.069 3.731 32.062 1.00 0.00 H ATOM 471 N LYS A 29 -0.527 -0.028 30.514 1.00 41.52 N ATOM 472 CA LYS A 29 -0.224 -1.456 30.591 1.00 41.97 C ATOM 473 C LYS A 29 1.265 -1.813 30.401 1.00 41.48 C ATOM 474 O LYS A 29 1.797 -2.613 31.153 1.00 40.15 O ATOM 475 CB LYS A 29 -1.052 -2.191 29.563 1.00 47.15 C ATOM 476 CG LYS A 29 -2.527 -2.244 29.917 1.00 49.55 C ATOM 477 CD LYS A 29 -3.292 -2.884 28.797 1.00 53.54 C ATOM 478 CE LYS A 29 -4.768 -2.953 29.136 1.00 58.28 C ATOM 479 NZ LYS A 29 -5.602 -3.111 27.908 1.00 61.29 N ATOM 480 HA LYS A 29 -0.473 -1.763 31.607 1.00 0.00 H ATOM 481 HB2 LYS A 29 -0.943 -1.686 28.603 1.00 0.00 H ATOM 482 HB3 LYS A 29 -0.678 -3.211 29.480 1.00 0.00 H ATOM 483 HG2 LYS A 29 -2.661 -2.828 30.828 1.00 0.00 H ATOM 484 HG3 LYS A 29 -2.898 -1.232 30.078 1.00 0.00 H ATOM 485 HD2 LYS A 29 -3.159 -2.296 27.889 1.00 0.00 H ATOM 486 HD3 LYS A 29 -2.913 -3.893 28.634 1.00 0.00 H ATOM 487 HE2 LYS A 29 -5.058 -2.035 29.646 1.00 0.00 H ATOM 488 HE3 LYS A 29 -4.941 -3.804 29.795 1.00 0.00 H ATOM 489 HZ1 LYS A 29 -5.445 -2.299 27.277 1.00 0.00 H ATOM 490 HZ2 LYS A 29 -5.334 -3.989 27.419 1.00 0.00 H ATOM 491 HZ3 LYS A 29 -6.606 -3.155 28.176 1.00 0.00 H ATOM 492 H LYS A 29 -1.241 0.303 29.834 1.00 0.00 H ATOM 493 N SER A 30 1.920 -1.207 29.410 1.00 42.40 N ATOM 494 CA SER A 30 3.332 -1.479 29.105 1.00 43.28 C ATOM 495 C SER A 30 4.257 -1.126 30.277 1.00 40.44 C ATOM 496 O SER A 30 5.163 -1.889 30.601 1.00 40.55 O ATOM 497 CB SER A 30 3.761 -0.751 27.823 1.00 45.86 C ATOM 498 OG SER A 30 3.702 0.667 27.951 1.00 44.87 O ATOM 499 HA SER A 30 3.426 -2.552 28.940 1.00 0.00 H ATOM 500 HB2 SER A 30 3.101 -1.056 27.011 1.00 0.00 H ATOM 501 HB3 SER A 30 4.785 -1.038 27.585 1.00 0.00 H ATOM 502 HG SER A 30 3.987 1.086 27.101 1.00 0.00 H ATOM 503 H SER A 30 1.410 -0.512 28.828 1.00 0.00 H ATOM 504 N GLU A 31 3.991 0.009 30.928 1.00 38.85 N ATOM 505 CA GLU A 31 4.744 0.460 32.114 1.00 36.88 C ATOM 506 C GLU A 31 4.565 -0.422 33.322 1.00 34.54 C ATOM 507 O GLU A 31 5.513 -0.658 34.031 1.00 33.26 O ATOM 508 CB GLU A 31 4.384 1.901 32.491 1.00 36.33 C ATOM 509 CG GLU A 31 4.654 2.921 31.340 1.00 39.53 C ATOM 510 CD GLU A 31 4.109 4.289 31.701 1.00 38.64 C ATOM 511 OE1 GLU A 31 2.966 4.351 32.168 1.00 35.26 O ATOM 512 OE2 GLU A 31 4.793 5.319 31.514 1.00 43.80 O ATOM 513 HA GLU A 31 5.791 0.400 31.818 1.00 0.00 H ATOM 514 HB2 GLU A 31 3.325 1.939 32.747 1.00 0.00 H ATOM 515 HB3 GLU A 31 4.977 2.191 33.358 1.00 0.00 H ATOM 516 HG2 GLU A 31 5.728 2.996 31.172 1.00 0.00 H ATOM 517 HG3 GLU A 31 4.169 2.571 30.429 1.00 0.00 H ATOM 518 H GLU A 31 3.213 0.606 30.581 1.00 0.00 H ATOM 519 N LEU A 32 3.338 -0.881 33.563 1.00 34.11 N ATOM 520 CA LEU A 32 3.035 -1.814 34.668 1.00 32.60 C ATOM 521 C LEU A 32 3.707 -3.175 34.472 1.00 32.79 C ATOM 522 O LEU A 32 4.216 -3.776 35.430 1.00 31.39 O ATOM 523 CB LEU A 32 1.533 -2.071 34.717 1.00 32.93 C ATOM 524 CG LEU A 32 0.770 -2.452 35.983 1.00 37.33 C ATOM 525 CD1 LEU A 32 -0.246 -3.503 35.673 1.00 34.06 C ATOM 526 CD2 LEU A 32 1.589 -2.752 37.284 1.00 28.81 C ATOM 527 HA LEU A 32 3.405 -1.352 35.583 1.00 0.00 H ATOM 528 HB2 LEU A 32 1.065 -1.156 34.355 1.00 0.00 H ATOM 529 HB3 LEU A 32 1.348 -2.877 34.007 1.00 0.00 H ATOM 530 HG LEU A 32 0.278 -1.526 36.279 1.00 0.00 H ATOM 531 HD21 LEU A 32 2.265 -3.588 37.102 1.00 0.00 H ATOM 532 HD22 LEU A 32 2.167 -1.870 37.560 1.00 0.00 H ATOM 533 HD23 LEU A 32 0.904 -3.007 38.093 1.00 0.00 H ATOM 534 HD11 LEU A 32 -0.948 -3.120 34.933 1.00 0.00 H ATOM 535 HD12 LEU A 32 0.256 -4.386 35.277 1.00 0.00 H ATOM 536 HD13 LEU A 32 -0.784 -3.767 36.584 1.00 0.00 H ATOM 537 H LEU A 32 2.560 -0.569 32.947 1.00 0.00 H ATOM 538 N LYS A 33 3.628 -3.662 33.237 1.00 34.27 N ATOM 539 CA LYS A 33 4.320 -4.848 32.767 1.00 36.28 C ATOM 540 C LYS A 33 5.794 -4.774 33.158 1.00 35.52 C ATOM 541 O LYS A 33 6.284 -5.652 33.856 1.00 33.91 O ATOM 542 CB LYS A 33 4.171 -5.013 31.232 1.00 38.79 C ATOM 543 CG LYS A 33 4.793 -6.317 30.617 1.00 43.29 C ATOM 544 CD LYS A 33 4.674 -6.397 29.045 1.00 53.44 C ATOM 545 CE LYS A 33 5.636 -7.487 28.491 1.00 59.29 C ATOM 546 NZ LYS A 33 5.623 -7.711 26.948 1.00 70.74 N ATOM 547 HA LYS A 33 3.869 -5.721 33.238 1.00 0.00 H ATOM 548 HB2 LYS A 33 3.107 -5.008 30.997 1.00 0.00 H ATOM 549 HB3 LYS A 33 4.651 -4.158 30.756 1.00 0.00 H ATOM 550 HG2 LYS A 33 5.849 -6.354 30.885 1.00 0.00 H ATOM 551 HG3 LYS A 33 4.280 -7.178 31.045 1.00 0.00 H ATOM 552 HD2 LYS A 33 3.649 -6.648 28.773 1.00 0.00 H ATOM 553 HD3 LYS A 33 4.936 -5.431 28.614 1.00 0.00 H ATOM 554 HE2 LYS A 33 5.373 -8.433 28.965 1.00 0.00 H ATOM 555 HE3 LYS A 33 6.651 -7.209 28.777 1.00 0.00 H ATOM 556 HZ1 LYS A 33 4.669 -7.996 26.648 1.00 0.00 H ATOM 557 HZ2 LYS A 33 5.889 -6.827 26.468 1.00 0.00 H ATOM 558 HZ3 LYS A 33 6.303 -8.459 26.702 1.00 0.00 H ATOM 559 H LYS A 33 3.026 -3.155 32.557 1.00 0.00 H ATOM 560 N GLU A 34 6.503 -3.739 32.704 1.00 36.96 N ATOM 561 CA GLU A 34 7.930 -3.673 33.007 1.00 39.14 C ATOM 562 C GLU A 34 8.246 -3.473 34.483 1.00 35.95 C ATOM 563 O GLU A 34 9.245 -3.994 34.941 1.00 37.15 O ATOM 564 CB GLU A 34 8.680 -2.662 32.153 1.00 42.42 C ATOM 565 CG GLU A 34 7.907 -1.439 31.821 1.00 46.86 C ATOM 566 CD GLU A 34 8.149 -1.046 30.385 1.00 52.76 C ATOM 567 OE1 GLU A 34 8.155 0.165 30.082 1.00 54.62 O ATOM 568 OE2 GLU A 34 8.342 -1.969 29.560 1.00 59.98 O ATOM 569 HA GLU A 34 8.296 -4.665 32.742 1.00 0.00 H ATOM 570 HB2 GLU A 34 9.578 -2.361 32.692 1.00 0.00 H ATOM 571 HB3 GLU A 34 8.964 -3.149 31.220 1.00 0.00 H ATOM 572 HG2 GLU A 34 6.844 -1.633 31.968 1.00 0.00 H ATOM 573 HG3 GLU A 34 8.220 -0.626 32.475 1.00 0.00 H ATOM 574 H GLU A 34 6.047 -2.991 32.143 1.00 0.00 H ATOM 575 N LEU A 35 7.395 -2.766 35.214 1.00 35.28 N ATOM 576 CA LEU A 35 7.596 -2.548 36.654 1.00 34.23 C ATOM 577 C LEU A 35 7.539 -3.927 37.317 1.00 34.68 C ATOM 578 O LEU A 35 8.433 -4.279 38.072 1.00 35.35 O ATOM 579 CB LEU A 35 6.523 -1.600 37.251 1.00 33.75 C ATOM 580 CG LEU A 35 6.719 -1.143 38.731 1.00 34.65 C ATOM 581 CD1 LEU A 35 5.962 0.148 39.122 1.00 34.22 C ATOM 582 CD2 LEU A 35 6.307 -2.298 39.709 1.00 35.40 C ATOM 583 HA LEU A 35 8.555 -2.063 36.833 1.00 0.00 H ATOM 584 HB2 LEU A 35 6.496 -0.704 36.632 1.00 0.00 H ATOM 585 HB3 LEU A 35 5.562 -2.112 37.190 1.00 0.00 H ATOM 586 HG LEU A 35 7.780 -0.908 38.818 1.00 0.00 H ATOM 587 HD21 LEU A 35 5.260 -2.553 39.548 1.00 0.00 H ATOM 588 HD22 LEU A 35 6.928 -3.173 39.518 1.00 0.00 H ATOM 589 HD23 LEU A 35 6.448 -1.968 40.738 1.00 0.00 H ATOM 590 HD11 LEU A 35 6.301 0.971 38.493 1.00 0.00 H ATOM 591 HD12 LEU A 35 4.892 -0.003 38.980 1.00 0.00 H ATOM 592 HD13 LEU A 35 6.162 0.382 40.168 1.00 0.00 H ATOM 593 H LEU A 35 6.559 -2.353 34.754 1.00 0.00 H ATOM 594 N ILE A 36 6.497 -4.709 37.002 1.00 33.51 N ATOM 595 CA ILE A 36 6.337 -6.047 37.589 1.00 34.14 C ATOM 596 C ILE A 36 7.503 -6.958 37.173 1.00 35.26 C ATOM 597 O ILE A 36 8.103 -7.633 38.027 1.00 36.07 O ATOM 598 CB ILE A 36 4.975 -6.689 37.236 1.00 34.57 C ATOM 599 CG1 ILE A 36 3.846 -6.046 38.058 1.00 34.62 C ATOM 600 CG2 ILE A 36 4.969 -8.213 37.506 1.00 37.90 C ATOM 601 CD1 ILE A 36 2.475 -6.517 37.593 1.00 34.15 C ATOM 602 HA ILE A 36 6.353 -5.929 38.673 1.00 0.00 H ATOM 603 HB ILE A 36 4.813 -6.517 36.172 1.00 0.00 H ATOM 604 HG12 ILE A 36 3.975 -6.314 39.107 1.00 0.00 H ATOM 605 HG13 ILE A 36 3.903 -4.963 37.951 1.00 0.00 H ATOM 606 HD11 ILE A 36 2.335 -6.247 36.546 1.00 0.00 H ATOM 607 HD12 ILE A 36 2.408 -7.599 37.703 1.00 0.00 H ATOM 608 HD13 ILE A 36 1.704 -6.040 38.198 1.00 0.00 H ATOM 609 HG21 ILE A 36 5.740 -8.691 36.901 1.00 0.00 H ATOM 610 HG22 ILE A 36 5.170 -8.394 38.562 1.00 0.00 H ATOM 611 HG23 ILE A 36 3.994 -8.623 37.244 1.00 0.00 H ATOM 612 H ILE A 36 5.786 -4.361 36.327 1.00 0.00 H ATOM 613 N ASN A 37 7.810 -6.951 35.868 1.00 35.76 N ATOM 614 CA ASN A 37 8.839 -7.815 35.281 1.00 37.59 C ATOM 615 C ASN A 37 10.225 -7.490 35.847 1.00 38.72 C ATOM 616 O ASN A 37 10.997 -8.382 36.137 1.00 39.95 O ATOM 617 CB ASN A 37 8.855 -7.705 33.728 1.00 39.78 C ATOM 618 CG ASN A 37 7.703 -8.478 33.064 1.00 41.33 C ATOM 619 OD1 ASN A 37 7.605 -8.591 31.809 1.00 41.31 O ATOM 620 ND2 ASN A 37 6.849 -9.032 33.889 1.00 37.50 N ATOM 621 HA ASN A 37 8.588 -8.841 35.549 1.00 0.00 H ATOM 622 HB2 ASN A 37 8.774 -6.654 33.452 1.00 0.00 H ATOM 623 HB3 ASN A 37 9.800 -8.104 33.360 1.00 0.00 H ATOM 624 HD22 ASN A 37 6.966 -8.914 34.916 1.00 0.00 H ATOM 625 HD21 ASN A 37 6.054 -9.590 33.517 1.00 0.00 H ATOM 626 H ASN A 37 7.293 -6.301 35.242 1.00 0.00 H ATOM 627 N ASN A 38 10.494 -6.199 36.028 1.00 37.81 N ATOM 628 CA ASN A 38 11.791 -5.696 36.507 1.00 41.10 C ATOM 629 C ASN A 38 11.944 -5.369 38.005 1.00 40.10 C ATOM 630 O ASN A 38 13.070 -5.314 38.512 1.00 41.00 O ATOM 631 CB ASN A 38 12.190 -4.479 35.676 1.00 42.51 C ATOM 632 CG ASN A 38 12.546 -4.871 34.243 1.00 47.50 C ATOM 633 OD1 ASN A 38 13.200 -5.880 34.032 1.00 54.10 O ATOM 634 ND2 ASN A 38 12.094 -4.100 33.271 1.00 49.86 N ATOM 635 HA ASN A 38 12.457 -6.549 36.376 1.00 0.00 H ATOM 636 HB2 ASN A 38 11.357 -3.776 35.655 1.00 0.00 H ATOM 637 HB3 ASN A 38 13.054 -4.002 36.138 1.00 0.00 H ATOM 638 HD22 ASN A 38 11.540 -3.249 33.497 1.00 0.00 H ATOM 639 HD21 ASN A 38 12.292 -4.344 32.279 1.00 0.00 H ATOM 640 H ASN A 38 9.746 -5.507 35.819 1.00 0.00 H ATOM 641 N GLU A 39 10.837 -5.131 38.708 1.00 36.52 N ATOM 642 CA GLU A 39 10.956 -4.758 40.120 1.00 37.71 C ATOM 643 C GLU A 39 10.330 -5.781 41.072 1.00 36.16 C ATOM 644 O GLU A 39 10.585 -5.725 42.261 1.00 37.21 O ATOM 645 CB GLU A 39 10.377 -3.349 40.376 1.00 36.92 C ATOM 646 CG GLU A 39 11.090 -2.212 39.640 1.00 42.79 C ATOM 647 CD GLU A 39 12.190 -1.530 40.460 1.00 51.62 C ATOM 648 OE1 GLU A 39 12.470 -1.910 41.617 1.00 54.06 O ATOM 649 OE2 GLU A 39 12.757 -0.554 39.948 1.00 56.62 O ATOM 650 HA GLU A 39 12.024 -4.745 40.338 1.00 0.00 H ATOM 651 HB2 GLU A 39 9.332 -3.351 40.065 1.00 0.00 H ATOM 652 HB3 GLU A 39 10.436 -3.149 41.446 1.00 0.00 H ATOM 653 HG2 GLU A 39 11.540 -2.619 38.734 1.00 0.00 H ATOM 654 HG3 GLU A 39 10.348 -1.460 39.370 1.00 0.00 H ATOM 655 H GLU A 39 9.901 -5.209 38.260 1.00 0.00 H ATOM 656 N LEU A 40 9.525 -6.711 40.552 1.00 35.09 N ATOM 657 CA LEU A 40 8.858 -7.754 41.404 1.00 34.38 C ATOM 658 C LEU A 40 9.211 -9.202 41.038 1.00 36.47 C ATOM 659 O LEU A 40 8.454 -10.156 41.323 1.00 35.20 O ATOM 660 CB LEU A 40 7.342 -7.558 41.423 1.00 33.02 C ATOM 661 CG LEU A 40 6.940 -6.200 42.016 1.00 31.64 C ATOM 662 CD1 LEU A 40 5.505 -5.818 41.660 1.00 33.10 C ATOM 663 CD2 LEU A 40 7.158 -6.184 43.521 1.00 35.29 C ATOM 664 HA LEU A 40 9.260 -7.601 42.406 1.00 0.00 H ATOM 665 HB2 LEU A 40 6.967 -7.620 40.401 1.00 0.00 H ATOM 666 HB3 LEU A 40 6.893 -8.350 42.022 1.00 0.00 H ATOM 667 HG LEU A 40 7.587 -5.445 41.568 1.00 0.00 H ATOM 668 HD21 LEU A 40 6.552 -6.964 43.983 1.00 0.00 H ATOM 669 HD22 LEU A 40 8.211 -6.365 43.736 1.00 0.00 H ATOM 670 HD23 LEU A 40 6.866 -5.212 43.919 1.00 0.00 H ATOM 671 HD11 LEU A 40 5.404 -5.758 40.576 1.00 0.00 H ATOM 672 HD12 LEU A 40 4.822 -6.574 42.049 1.00 0.00 H ATOM 673 HD13 LEU A 40 5.268 -4.850 42.102 1.00 0.00 H ATOM 674 H LEU A 40 9.354 -6.714 39.526 1.00 0.00 H ATOM 675 N SER A 41 10.398 -9.369 40.459 1.00 42.14 N ATOM 676 CA SER A 41 10.792 -10.640 39.901 1.00 45.79 C ATOM 677 C SER A 41 10.990 -11.758 40.938 1.00 46.62 C ATOM 678 O SER A 41 10.832 -12.907 40.585 1.00 47.08 O ATOM 679 CB SER A 41 11.990 -10.488 38.967 1.00 48.27 C ATOM 680 OG SER A 41 13.141 -10.021 39.656 1.00 53.91 O ATOM 681 HA SER A 41 9.943 -10.976 39.305 1.00 0.00 H ATOM 682 HB2 SER A 41 11.737 -9.777 38.181 1.00 0.00 H ATOM 683 HB3 SER A 41 12.215 -11.457 38.521 1.00 0.00 H ATOM 684 HG SER A 41 13.894 -9.936 39.019 1.00 0.00 H ATOM 685 H SER A 41 11.056 -8.565 40.408 1.00 0.00 H ATOM 686 N HIS A 42 11.281 -11.411 42.198 1.00 44.99 N ATOM 687 CA HIS A 42 11.388 -12.408 43.271 1.00 46.82 C ATOM 688 C HIS A 42 10.036 -12.698 43.902 1.00 46.37 C ATOM 689 O HIS A 42 9.842 -13.740 44.498 1.00 49.73 O ATOM 690 CB HIS A 42 12.387 -11.987 44.360 1.00 46.38 C ATOM 691 CG HIS A 42 13.793 -11.870 43.860 1.00 48.49 C ATOM 692 ND1 HIS A 42 14.347 -10.667 43.478 1.00 47.63 N ATOM 693 CD2 HIS A 42 14.739 -12.812 43.627 1.00 51.33 C ATOM 694 CE1 HIS A 42 15.586 -10.868 43.060 1.00 50.47 C ATOM 695 NE2 HIS A 42 15.848 -12.161 43.140 1.00 51.75 N ATOM 696 HA HIS A 42 11.761 -13.318 42.801 1.00 0.00 H ATOM 697 HB2 HIS A 42 12.079 -11.020 44.757 1.00 0.00 H ATOM 698 HB3 HIS A 42 12.364 -12.730 45.157 1.00 0.00 H ATOM 699 HD2 HIS A 42 14.639 -13.884 43.794 1.00 0.00 H ATOM 700 HE1 HIS A 42 16.274 -10.098 42.709 1.00 0.00 H ATOM 701 H HIS A 42 11.436 -10.407 42.423 1.00 0.00 H ATOM 702 N PHE A 43 9.100 -11.787 43.742 1.00 43.75 N ATOM 703 CA PHE A 43 7.786 -11.944 44.318 1.00 43.46 C ATOM 704 C PHE A 43 6.812 -12.561 43.331 1.00 43.90 C ATOM 705 O PHE A 43 6.091 -13.506 43.682 1.00 44.29 O ATOM 706 CB PHE A 43 7.287 -10.597 44.876 1.00 41.94 C ATOM 707 CG PHE A 43 8.052 -10.111 46.100 1.00 43.01 C ATOM 708 CD1 PHE A 43 8.801 -10.982 46.874 1.00 47.59 C ATOM 709 CD2 PHE A 43 7.974 -8.782 46.500 1.00 43.94 C ATOM 710 CE1 PHE A 43 9.482 -10.529 48.010 1.00 48.90 C ATOM 711 CE2 PHE A 43 8.643 -8.328 47.622 1.00 42.11 C ATOM 712 CZ PHE A 43 9.405 -9.189 48.373 1.00 45.63 C ATOM 713 HA PHE A 43 7.853 -12.643 45.152 1.00 0.00 H ATOM 714 HB2 PHE A 43 7.381 -9.845 44.092 1.00 0.00 H ATOM 715 HB3 PHE A 43 6.237 -10.707 45.149 1.00 0.00 H ATOM 716 HD2 PHE A 43 7.373 -8.083 45.917 1.00 0.00 H ATOM 717 HE2 PHE A 43 8.565 -7.280 47.912 1.00 0.00 H ATOM 718 HZ PHE A 43 9.945 -8.825 49.247 1.00 0.00 H ATOM 719 HE1 PHE A 43 10.071 -11.225 48.608 1.00 0.00 H ATOM 720 HD1 PHE A 43 8.861 -12.034 46.595 1.00 0.00 H ATOM 721 H PHE A 43 9.312 -10.933 43.187 1.00 0.00 H ATOM 722 N LEU A 44 6.836 -12.071 42.089 1.00 42.82 N ATOM 723 CA LEU A 44 5.887 -12.477 41.047 1.00 43.86 C ATOM 724 C LEU A 44 6.524 -13.061 39.766 1.00 45.74 C ATOM 725 O LEU A 44 7.651 -12.710 39.408 1.00 44.25 O ATOM 726 CB LEU A 44 4.994 -11.280 40.690 1.00 41.24 C ATOM 727 CG LEU A 44 4.243 -10.684 41.897 1.00 41.42 C ATOM 728 CD1 LEU A 44 3.768 -9.242 41.678 1.00 40.40 C ATOM 729 CD2 LEU A 44 3.089 -11.570 42.273 1.00 45.71 C ATOM 730 HA LEU A 44 5.309 -13.298 41.472 1.00 0.00 H ATOM 731 HB2 LEU A 44 5.620 -10.501 40.255 1.00 0.00 H ATOM 732 HB3 LEU A 44 4.259 -11.606 39.954 1.00 0.00 H ATOM 733 HG LEU A 44 4.960 -10.640 42.717 1.00 0.00 H ATOM 734 HD21 LEU A 44 2.405 -11.651 41.429 1.00 0.00 H ATOM 735 HD22 LEU A 44 3.463 -12.560 42.536 1.00 0.00 H ATOM 736 HD23 LEU A 44 2.565 -11.140 43.127 1.00 0.00 H ATOM 737 HD11 LEU A 44 4.629 -8.603 41.483 1.00 0.00 H ATOM 738 HD12 LEU A 44 3.090 -9.210 40.825 1.00 0.00 H ATOM 739 HD13 LEU A 44 3.249 -8.892 42.570 1.00 0.00 H ATOM 740 H LEU A 44 7.563 -11.367 41.849 1.00 0.00 H ATOM 741 N GLU A 45 5.778 -13.913 39.055 1.00 48.00 N ATOM 742 CA GLU A 45 6.207 -14.395 37.733 1.00 51.08 C ATOM 743 C GLU A 45 6.264 -13.254 36.707 1.00 48.73 C ATOM 744 O GLU A 45 5.532 -12.271 36.816 1.00 45.46 O ATOM 745 CB GLU A 45 5.280 -15.508 37.219 1.00 53.81 C ATOM 746 CG GLU A 45 5.566 -16.916 37.775 1.00 59.03 C ATOM 747 CD GLU A 45 4.737 -18.005 37.084 1.00 63.40 C ATOM 748 OE1 GLU A 45 4.161 -17.739 35.992 1.00 69.29 O ATOM 749 OE2 GLU A 45 4.658 -19.144 37.613 1.00 71.25 O ATOM 750 HA GLU A 45 7.211 -14.801 37.855 1.00 0.00 H ATOM 751 HB2 GLU A 45 4.257 -15.243 37.484 1.00 0.00 H ATOM 752 HB3 GLU A 45 5.373 -15.549 36.134 1.00 0.00 H ATOM 753 HG2 GLU A 45 6.623 -17.139 37.633 1.00 0.00 H ATOM 754 HG3 GLU A 45 5.334 -16.924 38.840 1.00 0.00 H ATOM 755 H GLU A 45 4.873 -14.243 39.446 1.00 0.00 H ATOM 756 N GLU A 46 7.159 -13.365 35.734 1.00 50.49 N ATOM 757 CA GLU A 46 7.187 -12.386 34.655 1.00 50.41 C ATOM 758 C GLU A 46 5.908 -12.487 33.815 1.00 50.31 C ATOM 759 O GLU A 46 5.358 -13.573 33.663 1.00 51.34 O ATOM 760 CB GLU A 46 8.427 -12.549 33.777 1.00 52.65 C ATOM 761 CG GLU A 46 9.522 -11.497 34.014 1.00 53.65 C ATOM 762 CD GLU A 46 10.602 -11.513 32.930 1.00 56.82 C ATOM 763 OE1 GLU A 46 10.469 -12.291 31.954 1.00 61.09 O ATOM 764 OE2 GLU A 46 11.588 -10.743 33.046 1.00 58.96 O ATOM 765 HA GLU A 46 7.236 -11.394 35.104 1.00 0.00 H ATOM 766 HB2 GLU A 46 8.853 -13.533 33.970 1.00 0.00 H ATOM 767 HB3 GLU A 46 8.116 -12.487 32.734 1.00 0.00 H ATOM 768 HG2 GLU A 46 9.060 -10.510 34.031 1.00 0.00 H ATOM 769 HG3 GLU A 46 9.992 -11.694 34.978 1.00 0.00 H ATOM 770 H GLU A 46 7.840 -14.151 35.741 1.00 0.00 H ATOM 771 N ILE A 47 5.449 -11.354 33.281 1.00 48.43 N ATOM 772 CA ILE A 47 4.219 -11.318 32.472 1.00 49.54 C ATOM 773 C ILE A 47 4.535 -10.881 31.049 1.00 50.88 C ATOM 774 O ILE A 47 5.089 -9.794 30.855 1.00 50.77 O ATOM 775 CB ILE A 47 3.150 -10.416 33.109 1.00 47.66 C ATOM 776 CG1 ILE A 47 2.447 -11.187 34.236 1.00 48.65 C ATOM 777 CG2 ILE A 47 2.160 -9.912 32.031 1.00 47.80 C ATOM 778 CD1 ILE A 47 1.816 -10.317 35.300 1.00 51.06 C ATOM 779 HA ILE A 47 3.807 -12.326 32.438 1.00 0.00 H ATOM 780 HB ILE A 47 3.615 -9.532 33.546 1.00 0.00 H ATOM 781 HG12 ILE A 47 1.664 -11.801 33.791 1.00 0.00 H ATOM 782 HG13 ILE A 47 3.183 -11.832 34.717 1.00 0.00 H ATOM 783 HD11 ILE A 47 2.585 -9.704 35.770 1.00 0.00 H ATOM 784 HD12 ILE A 47 1.065 -9.673 34.843 1.00 0.00 H ATOM 785 HD13 ILE A 47 1.344 -10.949 36.052 1.00 0.00 H ATOM 786 HG21 ILE A 47 2.704 -9.342 31.278 1.00 0.00 H ATOM 787 HG22 ILE A 47 1.672 -10.765 31.560 1.00 0.00 H ATOM 788 HG23 ILE A 47 1.409 -9.275 32.498 1.00 0.00 H ATOM 789 H ILE A 47 5.975 -10.471 33.441 1.00 0.00 H ATOM 790 N LYS A 48 4.230 -11.733 30.062 1.00 52.12 N ATOM 791 CA LYS A 48 4.701 -11.495 28.681 1.00 54.26 C ATOM 792 C LYS A 48 3.652 -11.764 27.615 1.00 54.73 C ATOM 793 O LYS A 48 3.972 -11.750 26.418 1.00 56.76 O ATOM 794 CB LYS A 48 5.935 -12.354 28.352 1.00 57.80 C ATOM 795 CG LYS A 48 6.929 -12.583 29.514 1.00 59.10 C ATOM 796 CD LYS A 48 7.739 -11.330 29.864 1.00 60.29 C ATOM 797 CE LYS A 48 8.770 -11.016 28.806 1.00 64.91 C ATOM 798 NZ LYS A 48 9.730 -9.979 29.264 1.00 65.59 N ATOM 799 HA LYS A 48 4.946 -10.433 28.659 1.00 0.00 H ATOM 800 HB2 LYS A 48 5.583 -13.329 28.016 1.00 0.00 H ATOM 801 HB3 LYS A 48 6.476 -11.865 27.541 1.00 0.00 H ATOM 802 HG2 LYS A 48 6.368 -12.892 30.396 1.00 0.00 H ATOM 803 HG3 LYS A 48 7.621 -13.376 29.229 1.00 0.00 H ATOM 804 HD2 LYS A 48 7.058 -10.484 29.956 1.00 0.00 H ATOM 805 HD3 LYS A 48 8.247 -11.492 30.815 1.00 0.00 H ATOM 806 HE2 LYS A 48 8.261 -10.656 27.912 1.00 0.00 H ATOM 807 HE3 LYS A 48 9.320 -11.926 28.567 1.00 0.00 H ATOM 808 HZ1 LYS A 48 9.213 -9.105 29.488 1.00 0.00 H ATOM 809 HZ2 LYS A 48 10.225 -10.318 30.114 1.00 0.00 H ATOM 810 HZ3 LYS A 48 10.421 -9.791 28.510 1.00 0.00 H ATOM 811 H LYS A 48 3.654 -12.574 30.270 1.00 0.00 H ATOM 812 N GLU A 49 2.435 -12.082 28.049 1.00 51.62 N ATOM 813 CA GLU A 49 1.341 -12.300 27.130 1.00 52.38 C ATOM 814 C GLU A 49 0.391 -11.161 27.375 1.00 48.52 C ATOM 815 O GLU A 49 0.091 -10.821 28.507 1.00 44.61 O ATOM 816 CB GLU A 49 0.653 -13.661 27.346 1.00 54.38 C ATOM 817 CG GLU A 49 1.463 -14.892 26.879 1.00 59.79 C ATOM 818 CD GLU A 49 1.971 -14.795 25.437 1.00 64.88 C ATOM 819 OE1 GLU A 49 1.205 -14.362 24.544 1.00 65.31 O ATOM 820 OE2 GLU A 49 3.149 -15.155 25.200 1.00 67.22 O ATOM 821 HA GLU A 49 1.694 -12.327 26.099 1.00 0.00 H ATOM 822 HB2 GLU A 49 0.454 -13.773 28.412 1.00 0.00 H ATOM 823 HB3 GLU A 49 -0.291 -13.652 26.801 1.00 0.00 H ATOM 824 HG2 GLU A 49 2.323 -15.007 27.538 1.00 0.00 H ATOM 825 HG3 GLU A 49 0.825 -15.772 26.959 1.00 0.00 H ATOM 826 H GLU A 49 2.267 -12.176 29.071 1.00 0.00 H ATOM 827 N GLN A 50 -0.079 -10.546 26.312 1.00 49.04 N ATOM 828 CA GLN A 50 -0.840 -9.323 26.525 1.00 47.39 C ATOM 829 C GLN A 50 -2.167 -9.545 27.270 1.00 45.49 C ATOM 830 O GLN A 50 -2.578 -8.693 28.064 1.00 43.92 O ATOM 831 CB GLN A 50 -0.929 -8.481 25.250 1.00 48.73 C ATOM 832 CG GLN A 50 0.478 -7.874 24.789 1.00 52.67 C ATOM 833 CD GLN A 50 1.329 -7.166 25.910 1.00 55.75 C ATOM 834 OE1 GLN A 50 2.550 -7.396 26.026 1.00 56.99 O ATOM 835 NE2 GLN A 50 0.688 -6.296 26.703 1.00 52.73 N ATOM 836 HA GLN A 50 -0.276 -8.708 27.226 1.00 0.00 H ATOM 837 HB2 GLN A 50 -1.314 -9.109 24.447 1.00 0.00 H ATOM 838 HB3 GLN A 50 -1.620 -7.657 25.428 1.00 0.00 H ATOM 839 HG2 GLN A 50 1.076 -8.690 24.382 1.00 0.00 H ATOM 840 HG3 GLN A 50 0.284 -7.142 24.005 1.00 0.00 H ATOM 841 HE22 GLN A 50 -0.331 -6.130 26.576 1.00 0.00 H ATOM 842 HE21 GLN A 50 1.210 -5.787 27.445 1.00 0.00 H ATOM 843 H GLN A 50 0.087 -10.919 25.355 1.00 0.00 H ATOM 844 N GLU A 51 -2.769 -10.720 27.142 1.00 47.18 N ATOM 845 CA GLU A 51 -4.000 -10.998 27.906 1.00 47.06 C ATOM 846 C GLU A 51 -3.777 -11.203 29.429 1.00 46.02 C ATOM 847 O GLU A 51 -4.674 -10.947 30.222 1.00 45.44 O ATOM 848 CB GLU A 51 -4.865 -12.082 27.269 1.00 50.76 C ATOM 849 CG GLU A 51 -4.136 -13.220 26.642 1.00 54.35 C ATOM 850 CD GLU A 51 -3.548 -12.907 25.269 1.00 54.71 C ATOM 851 OE1 GLU A 51 -4.285 -13.055 24.219 1.00 53.65 O ATOM 852 OE2 GLU A 51 -2.328 -12.554 25.279 1.00 50.33 O ATOM 853 HA GLU A 51 -4.579 -10.077 27.842 1.00 0.00 H ATOM 854 HB2 GLU A 51 -5.514 -12.489 28.045 1.00 0.00 H ATOM 855 HB3 GLU A 51 -5.474 -11.611 26.497 1.00 0.00 H ATOM 856 HG2 GLU A 51 -3.321 -13.511 27.305 1.00 0.00 H ATOM 857 HG3 GLU A 51 -4.830 -14.053 26.535 1.00 0.00 H ATOM 858 H GLU A 51 -2.375 -11.442 26.506 1.00 0.00 H ATOM 859 N VAL A 52 -2.567 -11.601 29.820 1.00 45.39 N ATOM 860 CA VAL A 52 -2.149 -11.597 31.222 1.00 44.91 C ATOM 861 C VAL A 52 -1.960 -10.160 31.759 1.00 42.88 C ATOM 862 O VAL A 52 -2.471 -9.842 32.834 1.00 42.01 O ATOM 863 CB VAL A 52 -0.870 -12.447 31.455 1.00 45.43 C ATOM 864 CG1 VAL A 52 -0.406 -12.346 32.903 1.00 43.26 C ATOM 865 CG2 VAL A 52 -1.113 -13.920 31.085 1.00 48.50 C ATOM 866 HA VAL A 52 -2.957 -12.062 31.786 1.00 0.00 H ATOM 867 HB VAL A 52 -0.088 -12.049 30.808 1.00 0.00 H ATOM 868 HG11 VAL A 52 -0.184 -11.306 33.140 1.00 0.00 H ATOM 869 HG12 VAL A 52 -1.194 -12.710 33.562 1.00 0.00 H ATOM 870 HG13 VAL A 52 0.491 -12.950 33.039 1.00 0.00 H ATOM 871 HG21 VAL A 52 -1.917 -14.320 31.702 1.00 0.00 H ATOM 872 HG22 VAL A 52 -1.392 -13.988 30.034 1.00 0.00 H ATOM 873 HG23 VAL A 52 -0.201 -14.492 31.258 1.00 0.00 H ATOM 874 H VAL A 52 -1.892 -11.928 29.099 1.00 0.00 H ATOM 875 N VAL A 53 -1.230 -9.314 31.014 1.00 43.03 N ATOM 876 CA VAL A 53 -1.111 -7.876 31.316 1.00 41.43 C ATOM 877 C VAL A 53 -2.483 -7.256 31.468 1.00 41.10 C ATOM 878 O VAL A 53 -2.721 -6.515 32.414 1.00 40.30 O ATOM 879 CB VAL A 53 -0.398 -7.036 30.215 1.00 41.82 C ATOM 880 CG1 VAL A 53 -0.206 -5.564 30.710 1.00 42.61 C ATOM 881 CG2 VAL A 53 0.944 -7.598 29.832 1.00 42.72 C ATOM 882 HA VAL A 53 -0.515 -7.846 32.228 1.00 0.00 H ATOM 883 HB VAL A 53 -1.037 -7.068 29.333 1.00 0.00 H ATOM 884 HG11 VAL A 53 -1.180 -5.124 30.925 1.00 0.00 H ATOM 885 HG12 VAL A 53 0.402 -5.563 31.615 1.00 0.00 H ATOM 886 HG13 VAL A 53 0.293 -4.983 29.934 1.00 0.00 H ATOM 887 HG21 VAL A 53 1.592 -7.618 30.709 1.00 0.00 H ATOM 888 HG22 VAL A 53 0.817 -8.611 29.449 1.00 0.00 H ATOM 889 HG23 VAL A 53 1.393 -6.971 29.062 1.00 0.00 H ATOM 890 H VAL A 53 -0.726 -9.691 30.186 1.00 0.00 H ATOM 891 N ASP A 54 -3.379 -7.548 30.519 1.00 42.24 N ATOM 892 CA ASP A 54 -4.727 -6.993 30.521 1.00 42.71 C ATOM 893 C ASP A 54 -5.423 -7.349 31.809 1.00 42.87 C ATOM 894 O ASP A 54 -6.015 -6.490 32.453 1.00 43.29 O ATOM 895 CB ASP A 54 -5.548 -7.497 29.320 1.00 44.63 C ATOM 896 CG ASP A 54 -5.128 -6.828 27.995 1.00 46.25 C ATOM 897 OD1 ASP A 54 -4.188 -5.986 27.993 1.00 42.96 O ATOM 898 OD2 ASP A 54 -5.746 -7.149 26.954 1.00 52.56 O ATOM 899 HA ASP A 54 -4.646 -5.909 30.437 1.00 0.00 H ATOM 900 HB2 ASP A 54 -5.408 -8.574 29.228 1.00 0.00 H ATOM 901 HB3 ASP A 54 -6.601 -7.283 29.502 1.00 0.00 H ATOM 902 H ASP A 54 -3.104 -8.194 29.752 1.00 0.00 H ATOM 903 N LYS A 55 -5.338 -8.628 32.175 1.00 43.60 N ATOM 904 CA LYS A 55 -6.018 -9.151 33.335 1.00 44.43 C ATOM 905 C LYS A 55 -5.507 -8.515 34.636 1.00 42.59 C ATOM 906 O LYS A 55 -6.290 -8.257 35.545 1.00 43.43 O ATOM 907 CB LYS A 55 -5.873 -10.674 33.386 1.00 46.21 C ATOM 908 CG LYS A 55 -6.765 -11.336 34.383 1.00 48.56 C ATOM 909 CD LYS A 55 -8.167 -10.772 34.264 1.00 53.19 C ATOM 910 CE LYS A 55 -9.083 -11.346 35.301 1.00 56.59 C ATOM 911 NZ LYS A 55 -10.516 -11.164 34.930 1.00 61.48 N ATOM 912 HA LYS A 55 -7.074 -8.895 33.245 1.00 0.00 H ATOM 913 HB2 LYS A 55 -6.105 -11.074 32.399 1.00 0.00 H ATOM 914 HB3 LYS A 55 -4.840 -10.912 33.639 1.00 0.00 H ATOM 915 HG2 LYS A 55 -6.788 -12.409 34.193 1.00 0.00 H ATOM 916 HG3 LYS A 55 -6.384 -11.154 35.388 1.00 0.00 H ATOM 917 HD2 LYS A 55 -8.125 -9.690 34.389 1.00 0.00 H ATOM 918 HD3 LYS A 55 -8.560 -11.007 33.275 1.00 0.00 H ATOM 919 HE2 LYS A 55 -8.898 -10.847 36.252 1.00 0.00 H ATOM 920 HE3 LYS A 55 -8.877 -12.411 35.405 1.00 0.00 H ATOM 921 HZ1 LYS A 55 -10.722 -10.149 34.835 1.00 0.00 H ATOM 922 HZ2 LYS A 55 -10.702 -11.643 34.026 1.00 0.00 H ATOM 923 HZ3 LYS A 55 -11.119 -11.574 35.671 1.00 0.00 H ATOM 924 H LYS A 55 -4.759 -9.274 31.602 1.00 0.00 H ATOM 925 N VAL A 56 -4.202 -8.301 34.720 1.00 41.12 N ATOM 926 CA VAL A 56 -3.576 -7.682 35.897 1.00 40.51 C ATOM 927 C VAL A 56 -3.982 -6.218 36.016 1.00 40.24 C ATOM 928 O VAL A 56 -4.338 -5.757 37.116 1.00 40.11 O ATOM 929 CB VAL A 56 -2.009 -7.877 35.879 1.00 38.97 C ATOM 930 CG1 VAL A 56 -1.299 -6.969 36.861 1.00 38.73 C ATOM 931 CG2 VAL A 56 -1.666 -9.330 36.175 1.00 40.27 C ATOM 932 HA VAL A 56 -3.941 -8.188 36.791 1.00 0.00 H ATOM 933 HB VAL A 56 -1.661 -7.607 34.882 1.00 0.00 H ATOM 934 HG11 VAL A 56 -1.511 -5.929 36.611 1.00 0.00 H ATOM 935 HG12 VAL A 56 -1.652 -7.181 37.870 1.00 0.00 H ATOM 936 HG13 VAL A 56 -0.225 -7.146 36.806 1.00 0.00 H ATOM 937 HG21 VAL A 56 -2.052 -9.600 37.158 1.00 0.00 H ATOM 938 HG22 VAL A 56 -2.118 -9.970 35.417 1.00 0.00 H ATOM 939 HG23 VAL A 56 -0.583 -9.457 36.161 1.00 0.00 H ATOM 940 H VAL A 56 -3.597 -8.582 33.922 1.00 0.00 H ATOM 941 N MET A 57 -3.937 -5.486 34.897 1.00 40.49 N ATOM 942 CA MET A 57 -4.409 -4.088 34.860 1.00 40.40 C ATOM 943 C MET A 57 -5.872 -3.966 35.257 1.00 43.29 C ATOM 944 O MET A 57 -6.240 -3.092 36.079 1.00 42.67 O ATOM 945 CB MET A 57 -4.176 -3.444 33.490 1.00 40.24 C ATOM 946 CG MET A 57 -4.596 -1.967 33.443 1.00 40.05 C ATOM 947 SD MET A 57 -3.658 -0.892 34.585 1.00 38.81 S ATOM 948 CE MET A 57 -2.163 -0.642 33.664 1.00 36.45 C ATOM 949 HA MET A 57 -3.815 -3.547 35.597 1.00 0.00 H ATOM 950 HB2 MET A 57 -3.115 -3.512 33.250 1.00 0.00 H ATOM 951 HB3 MET A 57 -4.752 -3.993 32.745 1.00 0.00 H ATOM 952 HG2 MET A 57 -5.653 -1.902 33.701 1.00 0.00 H ATOM 953 HG3 MET A 57 -4.448 -1.600 32.427 1.00 0.00 H ATOM 954 HE1 MET A 57 -1.685 -1.604 33.481 1.00 0.00 H ATOM 955 HE2 MET A 57 -2.399 -0.165 32.713 1.00 0.00 H ATOM 956 HE3 MET A 57 -1.489 -0.003 34.234 1.00 0.00 H ATOM 957 H MET A 57 -3.559 -5.914 34.028 1.00 0.00 H ATOM 958 N GLU A 58 -6.697 -4.854 34.691 1.00 45.27 N ATOM 959 CA GLU A 58 -8.119 -4.940 35.030 1.00 49.04 C ATOM 960 C GLU A 58 -8.291 -5.116 36.553 1.00 49.49 C ATOM 961 O GLU A 58 -9.071 -4.401 37.179 1.00 50.17 O ATOM 962 CB GLU A 58 -8.805 -6.049 34.205 1.00 50.78 C ATOM 963 CG GLU A 58 -10.335 -6.133 34.375 1.00 56.06 C ATOM 964 CD GLU A 58 -10.991 -7.297 33.600 1.00 59.51 C ATOM 965 OE1 GLU A 58 -10.855 -8.475 34.013 1.00 64.32 O ATOM 966 OE2 GLU A 58 -11.685 -7.026 32.595 1.00 64.37 O ATOM 967 HA GLU A 58 -8.618 -4.008 34.764 1.00 0.00 H ATOM 968 HB2 GLU A 58 -8.591 -5.869 33.152 1.00 0.00 H ATOM 969 HB3 GLU A 58 -8.378 -7.006 34.503 1.00 0.00 H ATOM 970 HG2 GLU A 58 -10.556 -6.259 35.435 1.00 0.00 H ATOM 971 HG3 GLU A 58 -10.771 -5.198 34.023 1.00 0.00 H ATOM 972 H GLU A 58 -6.313 -5.510 33.981 1.00 0.00 H ATOM 973 N THR A 59 -7.518 -6.020 37.151 1.00 48.85 N ATOM 974 CA THR A 59 -7.498 -6.175 38.611 1.00 50.33 C ATOM 975 C THR A 59 -7.167 -4.864 39.383 1.00 48.58 C ATOM 976 O THR A 59 -7.896 -4.479 40.282 1.00 49.85 O ATOM 977 CB THR A 59 -6.515 -7.304 39.028 1.00 49.95 C ATOM 978 OG1 THR A 59 -7.031 -8.563 38.558 1.00 54.77 O ATOM 979 CG2 THR A 59 -6.373 -7.366 40.540 1.00 50.19 C ATOM 980 HA THR A 59 -8.516 -6.446 38.893 1.00 0.00 H ATOM 981 HB THR A 59 -5.537 -7.098 38.592 1.00 0.00 H ATOM 982 HG1 THR A 59 -7.115 -8.537 37.572 1.00 0.00 H ATOM 983 HG23 THR A 59 -5.983 -6.417 40.906 1.00 0.00 H ATOM 984 HG21 THR A 59 -7.348 -7.556 40.988 1.00 0.00 H ATOM 985 HG22 THR A 59 -5.687 -8.170 40.807 1.00 0.00 H ATOM 986 H THR A 59 -6.912 -6.633 36.569 1.00 0.00 H ATOM 987 N LEU A 60 -6.099 -4.177 38.994 1.00 44.66 N ATOM 988 CA LEU A 60 -5.612 -3.001 39.754 1.00 43.72 C ATOM 989 C LEU A 60 -6.291 -1.675 39.473 1.00 43.71 C ATOM 990 O LEU A 60 -6.298 -0.789 40.336 1.00 44.61 O ATOM 991 CB LEU A 60 -4.097 -2.862 39.608 1.00 40.79 C ATOM 992 CG LEU A 60 -3.308 -4.098 40.041 1.00 41.36 C ATOM 993 CD1 LEU A 60 -1.822 -3.870 39.831 1.00 38.96 C ATOM 994 CD2 LEU A 60 -3.601 -4.441 41.504 1.00 44.50 C ATOM 995 HA LEU A 60 -5.891 -3.225 40.784 1.00 0.00 H ATOM 996 HB2 LEU A 60 -3.871 -2.662 38.560 1.00 0.00 H ATOM 997 HB3 LEU A 60 -3.771 -2.018 40.216 1.00 0.00 H ATOM 998 HG LEU A 60 -3.620 -4.943 39.427 1.00 0.00 H ATOM 999 HD21 LEU A 60 -3.316 -3.601 42.137 1.00 0.00 H ATOM 1000 HD22 LEU A 60 -4.666 -4.642 41.622 1.00 0.00 H ATOM 1001 HD23 LEU A 60 -3.029 -5.324 41.791 1.00 0.00 H ATOM 1002 HD11 LEU A 60 -1.631 -3.675 38.776 1.00 0.00 H ATOM 1003 HD12 LEU A 60 -1.500 -3.014 40.424 1.00 0.00 H ATOM 1004 HD13 LEU A 60 -1.272 -4.758 40.143 1.00 0.00 H ATOM 1005 H LEU A 60 -5.592 -4.471 38.135 1.00 0.00 H ATOM 1006 N ASP A 61 -6.861 -1.535 38.278 1.00 43.88 N ATOM 1007 CA ASP A 61 -7.591 -0.336 37.869 1.00 45.43 C ATOM 1008 C ASP A 61 -8.932 -0.210 38.609 1.00 49.29 C ATOM 1009 O ASP A 61 -9.887 -0.907 38.277 1.00 51.01 O ATOM 1010 CB ASP A 61 -7.834 -0.407 36.358 1.00 45.41 C ATOM 1011 CG ASP A 61 -8.364 0.883 35.783 1.00 47.31 C ATOM 1012 OD1 ASP A 61 -8.347 1.899 36.495 1.00 49.38 O ATOM 1013 OD2 ASP A 61 -8.783 0.885 34.603 1.00 47.82 O ATOM 1014 HA ASP A 61 -6.996 0.542 38.121 1.00 0.00 H ATOM 1015 HB2 ASP A 61 -6.891 -0.645 35.865 1.00 0.00 H ATOM 1016 HB3 ASP A 61 -8.557 -1.199 36.159 1.00 0.00 H ATOM 1017 H ASP A 61 -6.783 -2.320 37.600 1.00 0.00 H ATOM 1018 N SER A 62 -9.018 0.690 39.587 1.00 50.59 N ATOM 1019 CA SER A 62 -10.276 0.888 40.321 1.00 54.91 C ATOM 1020 C SER A 62 -11.213 1.932 39.723 1.00 57.11 C ATOM 1021 O SER A 62 -12.384 1.953 40.051 1.00 60.74 O ATOM 1022 CB SER A 62 -10.000 1.256 41.786 1.00 56.22 C ATOM 1023 OG SER A 62 -9.321 0.206 42.454 1.00 56.78 O ATOM 1024 HA SER A 62 -10.788 -0.071 40.245 1.00 0.00 H ATOM 1025 HB2 SER A 62 -10.947 1.446 42.291 1.00 0.00 H ATOM 1026 HB3 SER A 62 -9.385 2.156 41.818 1.00 0.00 H ATOM 1027 HG SER A 62 -9.155 0.467 43.394 1.00 0.00 H ATOM 1028 H SER A 62 -8.184 1.260 39.835 1.00 0.00 H ATOM 1029 N ASP A 63 -10.707 2.823 38.880 1.00 55.59 N ATOM 1030 CA ASP A 63 -11.541 3.939 38.393 1.00 58.04 C ATOM 1031 C ASP A 63 -11.865 3.771 36.915 1.00 57.74 C ATOM 1032 O ASP A 63 -12.554 4.615 36.318 1.00 59.94 O ATOM 1033 CB ASP A 63 -10.899 5.306 38.694 1.00 58.47 C ATOM 1034 CG ASP A 63 -9.427 5.354 38.326 1.00 54.25 C ATOM 1035 OD1 ASP A 63 -9.068 4.853 37.248 1.00 53.42 O ATOM 1036 OD2 ASP A 63 -8.612 5.872 39.119 1.00 56.52 O ATOM 1037 HA ASP A 63 -12.484 3.913 38.939 1.00 0.00 H ATOM 1038 HB2 ASP A 63 -11.426 6.072 38.126 1.00 0.00 H ATOM 1039 HB3 ASP A 63 -11.000 5.512 39.760 1.00 0.00 H ATOM 1040 H ASP A 63 -9.721 2.735 38.562 1.00 0.00 H ATOM 1041 N GLY A 64 -11.366 2.670 36.338 1.00 50.05 N ATOM 1042 CA GLY A 64 -11.712 2.262 34.977 1.00 53.27 C ATOM 1043 C GLY A 64 -11.177 3.093 33.822 1.00 53.82 C ATOM 1044 O GLY A 64 -11.739 3.063 32.721 1.00 57.71 O ATOM 1045 HA3 GLY A 64 -12.800 2.268 34.904 1.00 0.00 H ATOM 1046 HA2 GLY A 64 -11.346 1.245 34.841 1.00 0.00 H ATOM 1047 H GLY A 64 -10.704 2.080 36.881 1.00 0.00 H ATOM 1048 N ASP A 65 -10.108 3.848 34.071 1.00 50.86 N ATOM 1049 CA ASP A 65 -9.412 4.596 33.018 1.00 51.63 C ATOM 1050 C ASP A 65 -8.365 3.776 32.234 1.00 51.29 C ATOM 1051 O ASP A 65 -7.755 4.293 31.303 1.00 53.21 O ATOM 1052 CB ASP A 65 -8.781 5.888 33.563 1.00 49.70 C ATOM 1053 CG ASP A 65 -7.643 5.641 34.552 1.00 45.62 C ATOM 1054 OD1 ASP A 65 -7.338 4.477 34.906 1.00 38.75 O ATOM 1055 OD2 ASP A 65 -7.053 6.648 35.007 1.00 45.37 O ATOM 1056 HA ASP A 65 -10.192 4.851 32.301 1.00 0.00 H ATOM 1057 HB2 ASP A 65 -8.390 6.462 32.723 1.00 0.00 H ATOM 1058 HB3 ASP A 65 -9.557 6.465 34.066 1.00 0.00 H ATOM 1059 H ASP A 65 -9.754 3.909 35.047 1.00 0.00 H ATOM 1060 N GLY A 66 -8.170 2.511 32.598 1.00 49.92 N ATOM 1061 CA GLY A 66 -7.240 1.658 31.869 1.00 50.29 C ATOM 1062 C GLY A 66 -5.785 1.819 32.289 1.00 47.13 C ATOM 1063 O GLY A 66 -4.881 1.282 31.630 1.00 47.79 O ATOM 1064 HA3 GLY A 66 -7.318 1.895 30.808 1.00 0.00 H ATOM 1065 HA2 GLY A 66 -7.530 0.620 32.030 1.00 0.00 H ATOM 1066 H GLY A 66 -8.688 2.126 33.413 1.00 0.00 H ATOM 1067 N GLU A 67 -5.552 2.557 33.372 1.00 43.77 N ATOM 1068 CA GLU A 67 -4.195 2.782 33.874 1.00 42.08 C ATOM 1069 C GLU A 67 -4.131 2.559 35.388 1.00 39.40 C ATOM 1070 O GLU A 67 -5.173 2.490 36.058 1.00 39.11 O ATOM 1071 CB GLU A 67 -3.680 4.172 33.454 1.00 41.90 C ATOM 1072 CG GLU A 67 -3.505 4.299 31.905 1.00 45.50 C ATOM 1073 CD GLU A 67 -2.632 5.458 31.453 1.00 48.11 C ATOM 1074 OE1 GLU A 67 -1.445 5.514 31.826 1.00 49.69 O ATOM 1075 OE2 GLU A 67 -3.112 6.300 30.668 1.00 52.82 O ATOM 1076 HA GLU A 67 -3.526 2.050 33.421 1.00 0.00 H ATOM 1077 HB2 GLU A 67 -4.392 4.926 33.789 1.00 0.00 H ATOM 1078 HB3 GLU A 67 -2.716 4.347 33.931 1.00 0.00 H ATOM 1079 HG2 GLU A 67 -3.059 3.375 31.537 1.00 0.00 H ATOM 1080 HG3 GLU A 67 -4.493 4.425 31.462 1.00 0.00 H ATOM 1081 H GLU A 67 -6.355 2.985 33.875 1.00 0.00 H ATOM 1082 N CYS A 68 -2.915 2.432 35.915 1.00 38.06 N ATOM 1083 CA CYS A 68 -2.703 2.329 37.336 1.00 36.55 C ATOM 1084 C CYS A 68 -2.133 3.644 37.891 1.00 36.11 C ATOM 1085 O CYS A 68 -0.979 4.000 37.609 1.00 37.14 O ATOM 1086 CB CYS A 68 -1.760 1.135 37.633 1.00 36.23 C ATOM 1087 SG CYS A 68 -1.564 0.816 39.382 1.00 36.24 S ATOM 1088 HA CYS A 68 -3.656 2.149 37.833 1.00 0.00 H ATOM 1089 HB2 CYS A 68 -0.780 1.352 37.207 1.00 0.00 H ATOM 1090 HB3 CYS A 68 -2.170 0.242 37.161 1.00 0.00 H ATOM 1091 HG CYS A 68 -1.033 1.933 39.995 1.00 0.00 H ATOM 1092 H CYS A 68 -2.092 2.406 35.280 1.00 0.00 H ATOM 1093 N ASP A 69 -2.925 4.389 38.670 1.00 36.43 N ATOM 1094 CA ASP A 69 -2.365 5.556 39.334 1.00 36.82 C ATOM 1095 C ASP A 69 -1.687 5.172 40.651 1.00 35.71 C ATOM 1096 O ASP A 69 -1.647 3.996 41.017 1.00 33.92 O ATOM 1097 CB ASP A 69 -3.404 6.668 39.519 1.00 38.87 C ATOM 1098 CG ASP A 69 -4.572 6.269 40.417 1.00 39.98 C ATOM 1099 OD1 ASP A 69 -4.415 5.582 41.460 1.00 39.62 O ATOM 1100 OD2 ASP A 69 -5.676 6.719 40.088 1.00 43.85 O ATOM 1101 HA ASP A 69 -1.594 5.964 38.681 1.00 0.00 H ATOM 1102 HB2 ASP A 69 -2.909 7.533 39.961 1.00 0.00 H ATOM 1103 HB3 ASP A 69 -3.799 6.938 38.539 1.00 0.00 H ATOM 1104 H ASP A 69 -3.926 4.138 38.799 1.00 0.00 H ATOM 1105 N PHE A 70 -1.185 6.167 41.374 1.00 37.13 N ATOM 1106 CA PHE A 70 -0.381 5.922 42.575 1.00 37.23 C ATOM 1107 C PHE A 70 -1.132 5.240 43.719 1.00 36.32 C ATOM 1108 O PHE A 70 -0.586 4.360 44.390 1.00 36.38 O ATOM 1109 CB PHE A 70 0.300 7.215 43.080 1.00 40.65 C ATOM 1110 CG PHE A 70 1.226 6.971 44.219 1.00 39.68 C ATOM 1111 CD1 PHE A 70 2.461 6.338 43.997 1.00 39.86 C ATOM 1112 CD2 PHE A 70 0.864 7.317 45.518 1.00 41.06 C ATOM 1113 CE1 PHE A 70 3.318 6.063 45.058 1.00 37.83 C ATOM 1114 CE2 PHE A 70 1.709 7.064 46.582 1.00 41.62 C ATOM 1115 CZ PHE A 70 2.950 6.441 46.358 1.00 43.45 C ATOM 1116 HA PHE A 70 0.381 5.213 42.250 1.00 0.00 H ATOM 1117 HB2 PHE A 70 0.866 7.655 42.259 1.00 0.00 H ATOM 1118 HB3 PHE A 70 -0.473 7.913 43.402 1.00 0.00 H ATOM 1119 HD2 PHE A 70 -0.099 7.794 45.698 1.00 0.00 H ATOM 1120 HE2 PHE A 70 1.414 7.347 47.593 1.00 0.00 H ATOM 1121 HZ PHE A 70 3.625 6.252 47.193 1.00 0.00 H ATOM 1122 HE1 PHE A 70 4.268 5.558 44.881 1.00 0.00 H ATOM 1123 HD1 PHE A 70 2.750 6.060 42.984 1.00 0.00 H ATOM 1124 H PHE A 70 -1.368 7.148 41.080 1.00 0.00 H ATOM 1125 N GLN A 71 -2.383 5.632 43.943 1.00 38.60 N ATOM 1126 CA GLN A 71 -3.211 5.000 44.985 1.00 39.30 C ATOM 1127 C GLN A 71 -3.530 3.570 44.634 1.00 36.71 C ATOM 1128 O GLN A 71 -3.521 2.702 45.498 1.00 36.60 O ATOM 1129 CB GLN A 71 -4.489 5.802 45.290 1.00 42.28 C ATOM 1130 CG GLN A 71 -4.225 7.149 45.946 1.00 47.86 C ATOM 1131 CD GLN A 71 -3.475 7.017 47.269 1.00 50.18 C ATOM 1132 OE1 GLN A 71 -3.736 6.099 48.042 1.00 50.73 O ATOM 1133 NE2 GLN A 71 -2.537 7.935 47.525 1.00 54.19 N ATOM 1134 HA GLN A 71 -2.619 4.999 45.900 1.00 0.00 H ATOM 1135 HB2 GLN A 71 -5.020 5.973 44.353 1.00 0.00 H ATOM 1136 HB3 GLN A 71 -5.115 5.211 45.958 1.00 0.00 H ATOM 1137 HG2 GLN A 71 -3.630 7.759 45.266 1.00 0.00 H ATOM 1138 HG3 GLN A 71 -5.180 7.641 46.132 1.00 0.00 H ATOM 1139 HE22 GLN A 71 -2.352 8.694 46.839 1.00 0.00 H ATOM 1140 HE21 GLN A 71 -1.993 7.890 48.410 1.00 0.00 H ATOM 1141 H GLN A 71 -2.785 6.401 43.370 1.00 0.00 H ATOM 1142 N GLU A 72 -3.764 3.309 43.351 1.00 36.35 N ATOM 1143 CA GLU A 72 -3.907 1.933 42.839 1.00 35.06 C ATOM 1144 C GLU A 72 -2.614 1.102 42.976 1.00 34.06 C ATOM 1145 O GLU A 72 -2.663 -0.080 43.356 1.00 33.39 O ATOM 1146 CB GLU A 72 -4.415 1.932 41.384 1.00 35.25 C ATOM 1147 CG GLU A 72 -5.874 2.463 41.231 1.00 39.07 C ATOM 1148 CD GLU A 72 -6.237 2.859 39.787 1.00 38.10 C ATOM 1149 OE1 GLU A 72 -5.335 3.101 38.966 1.00 33.08 O ATOM 1150 OE2 GLU A 72 -7.434 2.940 39.465 1.00 40.43 O ATOM 1151 HA GLU A 72 -4.654 1.447 43.466 1.00 0.00 H ATOM 1152 HB2 GLU A 72 -3.755 2.562 40.788 1.00 0.00 H ATOM 1153 HB3 GLU A 72 -4.379 0.910 41.007 1.00 0.00 H ATOM 1154 HG2 GLU A 72 -6.561 1.683 41.558 1.00 0.00 H ATOM 1155 HG3 GLU A 72 -5.991 3.339 41.869 1.00 0.00 H ATOM 1156 H GLU A 72 -3.849 4.103 42.685 1.00 0.00 H ATOM 1157 N PHE A 73 -1.462 1.701 42.669 1.00 33.25 N ATOM 1158 CA PHE A 73 -0.152 1.078 42.948 1.00 32.69 C ATOM 1159 C PHE A 73 0.093 0.767 44.438 1.00 34.39 C ATOM 1160 O PHE A 73 0.500 -0.343 44.778 1.00 35.06 O ATOM 1161 CB PHE A 73 0.965 1.938 42.353 1.00 32.48 C ATOM 1162 CG PHE A 73 2.380 1.484 42.700 1.00 33.67 C ATOM 1163 CD1 PHE A 73 2.972 0.373 42.065 1.00 34.24 C ATOM 1164 CD2 PHE A 73 3.164 2.243 43.577 1.00 33.02 C ATOM 1165 CE1 PHE A 73 4.277 -0.011 42.372 1.00 34.00 C ATOM 1166 CE2 PHE A 73 4.491 1.867 43.874 1.00 39.49 C ATOM 1167 CZ PHE A 73 5.037 0.722 43.269 1.00 37.02 C ATOM 1168 HA PHE A 73 -0.155 0.102 42.463 1.00 0.00 H ATOM 1169 HB2 PHE A 73 0.861 1.925 41.268 1.00 0.00 H ATOM 1170 HB3 PHE A 73 0.838 2.958 42.716 1.00 0.00 H ATOM 1171 HD2 PHE A 73 2.743 3.137 44.037 1.00 0.00 H ATOM 1172 HE2 PHE A 73 5.088 2.460 44.567 1.00 0.00 H ATOM 1173 HZ PHE A 73 6.055 0.412 43.505 1.00 0.00 H ATOM 1174 HE1 PHE A 73 4.703 -0.897 41.901 1.00 0.00 H ATOM 1175 HD1 PHE A 73 2.404 -0.192 41.326 1.00 0.00 H ATOM 1176 H PHE A 73 -1.487 2.638 42.218 1.00 0.00 H ATOM 1177 N MET A 74 -0.206 1.714 45.318 1.00 36.10 N ATOM 1178 CA MET A 74 -0.160 1.465 46.766 1.00 38.03 C ATOM 1179 C MET A 74 -1.068 0.351 47.264 1.00 38.21 C ATOM 1180 O MET A 74 -0.664 -0.400 48.158 1.00 37.19 O ATOM 1181 CB MET A 74 -0.436 2.728 47.569 1.00 41.54 C ATOM 1182 CG MET A 74 0.613 3.784 47.419 1.00 44.04 C ATOM 1183 SD MET A 74 2.206 3.297 48.125 1.00 51.01 S ATOM 1184 CE MET A 74 1.771 2.777 49.792 1.00 48.12 C ATOM 1185 HA MET A 74 0.863 1.128 46.930 1.00 0.00 H ATOM 1186 HB2 MET A 74 -1.389 3.142 47.241 1.00 0.00 H ATOM 1187 HB3 MET A 74 -0.502 2.457 48.623 1.00 0.00 H ATOM 1188 HG2 MET A 74 0.271 4.689 47.922 1.00 0.00 H ATOM 1189 HG3 MET A 74 0.751 3.990 46.358 1.00 0.00 H ATOM 1190 HE1 MET A 74 1.315 3.612 50.324 1.00 0.00 H ATOM 1191 HE2 MET A 74 1.065 1.948 49.740 1.00 0.00 H ATOM 1192 HE3 MET A 74 2.671 2.457 50.318 1.00 0.00 H ATOM 1193 H MET A 74 -0.480 2.657 44.974 1.00 0.00 H ATOM 1194 N ALA A 75 -2.293 0.265 46.723 1.00 37.70 N ATOM 1195 CA ALA A 75 -3.156 -0.929 46.934 1.00 37.28 C ATOM 1196 C ALA A 75 -2.484 -2.267 46.507 1.00 35.90 C ATOM 1197 O ALA A 75 -2.533 -3.292 47.209 1.00 35.15 O ATOM 1198 CB ALA A 75 -4.515 -0.750 46.203 1.00 38.59 C ATOM 1199 HA ALA A 75 -3.322 -0.999 48.009 1.00 0.00 H ATOM 1200 HB1 ALA A 75 -5.024 0.131 46.595 1.00 0.00 H ATOM 1201 HB2 ALA A 75 -4.338 -0.623 45.135 1.00 0.00 H ATOM 1202 HB3 ALA A 75 -5.134 -1.632 46.368 1.00 0.00 H ATOM 1203 H ALA A 75 -2.648 1.052 46.142 1.00 0.00 H ATOM 1204 N PHE A 76 -1.894 -2.262 45.322 1.00 34.83 N ATOM 1205 CA PHE A 76 -1.072 -3.371 44.830 1.00 34.62 C ATOM 1206 C PHE A 76 0.087 -3.688 45.786 1.00 35.26 C ATOM 1207 O PHE A 76 0.225 -4.836 46.274 1.00 35.43 O ATOM 1208 CB PHE A 76 -0.569 -3.006 43.427 1.00 33.56 C ATOM 1209 CG PHE A 76 0.244 -4.069 42.739 1.00 36.27 C ATOM 1210 CD1 PHE A 76 -0.075 -5.417 42.835 1.00 36.03 C ATOM 1211 CD2 PHE A 76 1.320 -3.697 41.926 1.00 35.10 C ATOM 1212 CE1 PHE A 76 0.673 -6.374 42.126 1.00 41.57 C ATOM 1213 CE2 PHE A 76 2.069 -4.654 41.241 1.00 39.01 C ATOM 1214 CZ PHE A 76 1.742 -5.990 41.344 1.00 40.41 C ATOM 1215 HA PHE A 76 -1.673 -4.279 44.779 1.00 0.00 H ATOM 1216 HB2 PHE A 76 -1.436 -2.789 42.804 1.00 0.00 H ATOM 1217 HB3 PHE A 76 0.048 -2.112 43.512 1.00 0.00 H ATOM 1218 HD2 PHE A 76 1.577 -2.643 41.826 1.00 0.00 H ATOM 1219 HE2 PHE A 76 2.913 -4.346 40.624 1.00 0.00 H ATOM 1220 HZ PHE A 76 2.326 -6.739 40.810 1.00 0.00 H ATOM 1221 HE1 PHE A 76 0.405 -7.428 42.195 1.00 0.00 H ATOM 1222 HD1 PHE A 76 -0.908 -5.735 43.462 1.00 0.00 H ATOM 1223 H PHE A 76 -2.020 -1.430 44.710 1.00 0.00 H ATOM 1224 N VAL A 77 0.884 -2.669 46.110 1.00 36.00 N ATOM 1225 CA VAL A 77 1.942 -2.817 47.136 1.00 36.82 C ATOM 1226 C VAL A 77 1.437 -3.403 48.482 1.00 37.93 C ATOM 1227 O VAL A 77 2.082 -4.314 49.023 1.00 38.21 O ATOM 1228 CB VAL A 77 2.760 -1.515 47.380 1.00 38.96 C ATOM 1229 CG1 VAL A 77 3.820 -1.728 48.465 1.00 42.06 C ATOM 1230 CG2 VAL A 77 3.497 -1.077 46.117 1.00 36.58 C ATOM 1231 HA VAL A 77 2.619 -3.552 46.700 1.00 0.00 H ATOM 1232 HB VAL A 77 2.042 -0.754 47.685 1.00 0.00 H ATOM 1233 HG11 VAL A 77 3.332 -2.015 49.397 1.00 0.00 H ATOM 1234 HG12 VAL A 77 4.504 -2.518 48.153 1.00 0.00 H ATOM 1235 HG13 VAL A 77 4.376 -0.803 48.615 1.00 0.00 H ATOM 1236 HG21 VAL A 77 4.183 -1.865 45.807 1.00 0.00 H ATOM 1237 HG22 VAL A 77 2.774 -0.889 45.323 1.00 0.00 H ATOM 1238 HG23 VAL A 77 4.058 -0.165 46.323 1.00 0.00 H ATOM 1239 H VAL A 77 0.760 -1.753 45.633 1.00 0.00 H ATOM 1240 N ALA A 78 0.323 -2.900 49.028 1.00 36.96 N ATOM 1241 CA ALA A 78 -0.182 -3.424 50.326 1.00 40.09 C ATOM 1242 C ALA A 78 -0.566 -4.920 50.254 1.00 39.90 C ATOM 1243 O ALA A 78 -0.392 -5.667 51.249 1.00 41.75 O ATOM 1244 CB ALA A 78 -1.370 -2.618 50.827 1.00 41.14 C ATOM 1245 HA ALA A 78 0.643 -3.322 51.031 1.00 0.00 H ATOM 1246 HB1 ALA A 78 -1.070 -1.579 50.966 1.00 0.00 H ATOM 1247 HB2 ALA A 78 -2.177 -2.669 50.096 1.00 0.00 H ATOM 1248 HB3 ALA A 78 -1.712 -3.029 51.777 1.00 0.00 H ATOM 1249 H ALA A 78 -0.193 -2.139 48.542 1.00 0.00 H ATOM 1250 N MET A 79 -1.118 -5.315 49.101 1.00 44.54 N ATOM 1251 CA MET A 79 -1.398 -6.714 48.755 1.00 46.89 C ATOM 1252 C MET A 79 -0.145 -7.560 48.869 1.00 41.15 C ATOM 1253 O MET A 79 -0.133 -8.542 49.592 1.00 40.92 O ATOM 1254 CB MET A 79 -1.886 -6.834 47.305 1.00 51.81 C ATOM 1255 CG MET A 79 -3.365 -6.792 47.089 1.00 64.08 C ATOM 1256 SD MET A 79 -3.739 -6.946 45.326 1.00 73.71 S ATOM 1257 CE MET A 79 -5.528 -6.788 45.366 1.00 89.60 C ATOM 1258 HA MET A 79 -2.163 -7.061 49.449 1.00 0.00 H ATOM 1259 HB2 MET A 79 -1.446 -6.013 46.739 1.00 0.00 H ATOM 1260 HB3 MET A 79 -1.521 -7.782 46.911 1.00 0.00 H ATOM 1261 HG2 MET A 79 -3.757 -5.845 47.460 1.00 0.00 H ATOM 1262 HG3 MET A 79 -3.832 -7.614 47.630 1.00 0.00 H ATOM 1263 HE1 MET A 79 -5.948 -7.586 45.978 1.00 0.00 H ATOM 1264 HE2 MET A 79 -5.797 -5.821 45.792 1.00 0.00 H ATOM 1265 HE3 MET A 79 -5.921 -6.861 44.352 1.00 0.00 H ATOM 1266 H MET A 79 -1.365 -4.583 48.404 1.00 0.00 H ATOM 1267 N ILE A 80 0.895 -7.168 48.132 1.00 38.39 N ATOM 1268 CA ILE A 80 2.159 -7.892 48.082 1.00 37.50 C ATOM 1269 C ILE A 80 2.741 -7.955 49.490 1.00 35.47 C ATOM 1270 O ILE A 80 3.188 -9.007 49.951 1.00 36.38 O ATOM 1271 CB ILE A 80 3.197 -7.174 47.158 1.00 37.80 C ATOM 1272 CG1 ILE A 80 2.730 -7.168 45.695 1.00 41.15 C ATOM 1273 CG2 ILE A 80 4.545 -7.861 47.257 1.00 38.87 C ATOM 1274 CD1 ILE A 80 3.449 -6.085 44.880 1.00 44.70 C ATOM 1275 HA ILE A 80 1.965 -8.887 47.683 1.00 0.00 H ATOM 1276 HB ILE A 80 3.286 -6.141 47.495 1.00 0.00 H ATOM 1277 HG12 ILE A 80 2.939 -8.142 45.252 1.00 0.00 H ATOM 1278 HG13 ILE A 80 1.657 -6.980 45.666 1.00 0.00 H ATOM 1279 HD11 ILE A 80 3.240 -5.107 45.314 1.00 0.00 H ATOM 1280 HD12 ILE A 80 4.523 -6.270 44.899 1.00 0.00 H ATOM 1281 HD13 ILE A 80 3.093 -6.111 43.850 1.00 0.00 H ATOM 1282 HG21 ILE A 80 4.896 -7.823 48.288 1.00 0.00 H ATOM 1283 HG22 ILE A 80 4.445 -8.900 46.944 1.00 0.00 H ATOM 1284 HG23 ILE A 80 5.259 -7.352 46.609 1.00 0.00 H ATOM 1285 H ILE A 80 0.799 -6.302 47.564 1.00 0.00 H ATOM 1286 N THR A 81 2.760 -6.796 50.129 1.00 35.34 N ATOM 1287 CA THR A 81 3.227 -6.630 51.510 1.00 36.41 C ATOM 1288 C THR A 81 2.482 -7.507 52.508 1.00 37.24 C ATOM 1289 O THR A 81 3.099 -8.081 53.400 1.00 39.19 O ATOM 1290 CB THR A 81 3.193 -5.135 51.927 1.00 39.75 C ATOM 1291 OG1 THR A 81 3.939 -4.396 50.960 1.00 41.56 O ATOM 1292 CG2 THR A 81 3.860 -4.941 53.287 1.00 43.91 C ATOM 1293 HA THR A 81 4.262 -6.972 51.532 1.00 0.00 H ATOM 1294 HB THR A 81 2.158 -4.799 51.986 1.00 0.00 H ATOM 1295 HG1 THR A 81 3.528 -4.514 50.067 1.00 0.00 H ATOM 1296 HG23 THR A 81 3.307 -5.497 54.044 1.00 0.00 H ATOM 1297 HG21 THR A 81 4.886 -5.307 53.243 1.00 0.00 H ATOM 1298 HG22 THR A 81 3.861 -3.881 53.542 1.00 0.00 H ATOM 1299 H THR A 81 2.424 -5.953 49.622 1.00 0.00 H ATOM 1300 N THR A 82 1.157 -7.599 52.373 1.00 39.58 N ATOM 1301 CA THR A 82 0.365 -8.474 53.231 1.00 43.20 C ATOM 1302 C THR A 82 0.729 -9.954 53.004 1.00 43.24 C ATOM 1303 O THR A 82 0.867 -10.716 53.975 1.00 45.19 O ATOM 1304 CB THR A 82 -1.145 -8.233 53.036 1.00 49.24 C ATOM 1305 OG1 THR A 82 -1.439 -6.864 53.381 1.00 52.64 O ATOM 1306 CG2 THR A 82 -1.985 -9.179 53.915 1.00 57.26 C ATOM 1307 HA THR A 82 0.606 -8.229 54.265 1.00 0.00 H ATOM 1308 HB THR A 82 -1.401 -8.432 51.995 1.00 0.00 H ATOM 1309 HG1 THR A 82 -0.921 -6.258 52.793 1.00 0.00 H ATOM 1310 HG23 THR A 82 -1.760 -10.213 53.652 1.00 0.00 H ATOM 1311 HG21 THR A 82 -1.743 -9.009 54.964 1.00 0.00 H ATOM 1312 HG22 THR A 82 -3.044 -8.982 53.749 1.00 0.00 H ATOM 1313 H THR A 82 0.679 -7.035 51.641 1.00 0.00 H ATOM 1314 N ALA A 83 0.895 -10.351 51.737 1.00 42.27 N ATOM 1315 CA ALA A 83 1.237 -11.758 51.410 1.00 45.85 C ATOM 1316 C ALA A 83 2.610 -12.121 52.010 1.00 43.60 C ATOM 1317 O ALA A 83 2.757 -13.179 52.653 1.00 47.17 O ATOM 1318 CB ALA A 83 1.214 -11.989 49.897 1.00 49.39 C ATOM 1319 HA ALA A 83 0.485 -12.412 51.852 1.00 0.00 H ATOM 1320 HB1 ALA A 83 0.217 -11.772 49.513 1.00 0.00 H ATOM 1321 HB2 ALA A 83 1.940 -11.331 49.419 1.00 0.00 H ATOM 1322 HB3 ALA A 83 1.468 -13.028 49.685 1.00 0.00 H ATOM 1323 H ALA A 83 0.782 -9.661 50.967 1.00 0.00 H ATOM 1324 N CYS A 84 3.588 -11.214 51.857 1.00 38.69 N ATOM 1325 CA CYS A 84 4.923 -11.419 52.421 1.00 40.10 C ATOM 1326 C CYS A 84 4.910 -11.496 53.943 1.00 41.59 C ATOM 1327 O CYS A 84 5.611 -12.337 54.526 1.00 45.70 O ATOM 1328 CB CYS A 84 5.896 -10.332 51.969 1.00 39.82 C ATOM 1329 SG CYS A 84 6.281 -10.388 50.231 1.00 39.54 S ATOM 1330 HA CYS A 84 5.264 -12.382 52.040 1.00 0.00 H ATOM 1331 HB2 CYS A 84 6.823 -10.446 52.530 1.00 0.00 H ATOM 1332 HB3 CYS A 84 5.454 -9.361 52.192 1.00 0.00 H ATOM 1333 HG CYS A 84 5.122 -10.231 49.499 1.00 0.00 H ATOM 1334 H CYS A 84 3.392 -10.343 51.324 1.00 0.00 H ATOM 1335 N HIS A 85 4.094 -10.636 54.589 1.00 40.31 N ATOM 1336 CA HIS A 85 3.960 -10.630 56.061 1.00 43.58 C ATOM 1337 C HIS A 85 3.390 -11.955 56.548 1.00 47.86 C ATOM 1338 O HIS A 85 3.810 -12.466 57.579 1.00 52.35 O ATOM 1339 CB HIS A 85 3.089 -9.475 56.581 1.00 44.59 C ATOM 1340 CG HIS A 85 2.838 -9.524 58.070 1.00 49.79 C ATOM 1341 ND1 HIS A 85 1.626 -9.892 58.610 1.00 53.52 N ATOM 1342 CD2 HIS A 85 3.647 -9.256 59.120 1.00 53.40 C ATOM 1343 CE1 HIS A 85 1.701 -9.860 59.929 1.00 60.77 C ATOM 1344 NE2 HIS A 85 2.918 -9.474 60.266 1.00 61.84 N ATOM 1345 HA HIS A 85 4.964 -10.485 56.460 1.00 0.00 H ATOM 1346 HB2 HIS A 85 3.589 -8.535 56.347 1.00 0.00 H ATOM 1347 HB3 HIS A 85 2.128 -9.511 56.069 1.00 0.00 H ATOM 1348 HD2 HIS A 85 4.685 -8.928 59.068 1.00 0.00 H ATOM 1349 HE1 HIS A 85 0.896 -10.110 60.620 1.00 0.00 H ATOM 1350 H HIS A 85 3.541 -9.954 54.032 1.00 0.00 H ATOM 1351 N GLU A 86 2.446 -12.499 55.777 1.00 49.23 N ATOM 1352 CA GLU A 86 1.812 -13.780 56.034 1.00 56.47 C ATOM 1353 C GLU A 86 2.839 -14.914 56.100 1.00 59.97 C ATOM 1354 O GLU A 86 2.802 -15.724 57.015 1.00 65.34 O ATOM 1355 CB GLU A 86 0.785 -14.076 54.940 1.00 59.77 C ATOM 1356 CG GLU A 86 -0.676 -14.037 55.368 1.00 68.66 C ATOM 1357 CD GLU A 86 -1.624 -14.072 54.094 1.00 73.83 C ATOM 1358 OE1 GLU A 86 -2.403 -15.100 53.936 1.00 85.36 O ATOM 1359 OE2 GLU A 86 -1.523 -13.097 53.226 1.00 71.96 O ATOM 1360 HA GLU A 86 1.315 -13.721 57.002 1.00 0.00 H ATOM 1361 HB2 GLU A 86 0.920 -13.340 54.147 1.00 0.00 H ATOM 1362 HB3 GLU A 86 0.992 -15.072 54.549 1.00 0.00 H ATOM 1363 HG2 GLU A 86 -0.889 -14.900 55.999 1.00 0.00 H ATOM 1364 HG3 GLU A 86 -0.862 -13.122 55.930 1.00 0.00 H ATOM 1365 H GLU A 86 2.144 -11.969 54.935 1.00 0.00 H ATOM 1366 N PHE A 87 3.752 -14.942 55.127 1.00 58.04 N ATOM 1367 CA PHE A 87 4.855 -15.915 55.056 1.00 64.23 C ATOM 1368 C PHE A 87 5.787 -15.752 56.254 1.00 65.87 C ATOM 1369 O PHE A 87 6.071 -16.717 56.972 1.00 73.61 O ATOM 1370 CB PHE A 87 5.641 -15.737 53.738 1.00 63.89 C ATOM 1371 CG PHE A 87 6.852 -16.635 53.616 1.00 73.70 C ATOM 1372 CD1 PHE A 87 6.739 -17.924 53.078 1.00 83.27 C ATOM 1373 CD2 PHE A 87 8.106 -16.194 54.045 1.00 75.95 C ATOM 1374 CE1 PHE A 87 7.860 -18.754 52.967 1.00 95.31 C ATOM 1375 CE2 PHE A 87 9.235 -17.025 53.946 1.00 87.15 C ATOM 1376 CZ PHE A 87 9.108 -18.306 53.402 1.00 96.37 C ATOM 1377 HA PHE A 87 4.433 -16.920 55.079 1.00 0.00 H ATOM 1378 HB2 PHE A 87 4.970 -15.952 52.907 1.00 0.00 H ATOM 1379 HB3 PHE A 87 5.975 -14.701 53.675 1.00 0.00 H ATOM 1380 HD2 PHE A 87 8.210 -15.192 54.462 1.00 0.00 H ATOM 1381 HE2 PHE A 87 10.206 -16.672 54.292 1.00 0.00 H ATOM 1382 HZ PHE A 87 9.981 -18.953 53.318 1.00 0.00 H ATOM 1383 HE1 PHE A 87 7.758 -19.752 52.540 1.00 0.00 H ATOM 1384 HD1 PHE A 87 5.767 -18.284 52.742 1.00 0.00 H ATOM 1385 H PHE A 87 3.680 -14.232 54.371 1.00 0.00 H ATOM 1386 N PHE A 88 6.249 -14.514 56.426 1.00 61.44 N ATOM 1387 CA PHE A 88 7.047 -13.996 57.552 1.00 65.22 C ATOM 1388 C PHE A 88 8.489 -13.757 57.143 1.00 70.21 C ATOM 1389 O PHE A 88 8.758 -12.788 56.429 1.00 67.46 O ATOM 1390 CB PHE A 88 6.938 -14.826 58.836 1.00 72.10 C ATOM 1391 CG PHE A 88 5.652 -14.615 59.590 1.00 71.75 C ATOM 1392 CD1 PHE A 88 5.226 -13.336 59.930 1.00 70.05 C ATOM 1393 CD2 PHE A 88 4.890 -15.706 60.013 1.00 78.42 C ATOM 1394 CE1 PHE A 88 4.039 -13.141 60.635 1.00 72.31 C ATOM 1395 CE2 PHE A 88 3.708 -15.518 60.726 1.00 80.86 C ATOM 1396 CZ PHE A 88 3.285 -14.241 61.042 1.00 77.25 C ATOM 1397 HA PHE A 88 6.605 -13.033 57.808 1.00 0.00 H ATOM 1398 HB2 PHE A 88 7.012 -15.881 58.571 1.00 0.00 H ATOM 1399 HB3 PHE A 88 7.768 -14.558 59.490 1.00 0.00 H ATOM 1400 HD2 PHE A 88 5.224 -16.718 59.782 1.00 0.00 H ATOM 1401 HE2 PHE A 88 3.116 -16.379 61.035 1.00 0.00 H ATOM 1402 HZ PHE A 88 2.365 -14.094 61.608 1.00 0.00 H ATOM 1403 HE1 PHE A 88 3.701 -12.131 60.867 1.00 0.00 H ATOM 1404 HD1 PHE A 88 5.828 -12.474 59.642 1.00 0.00 H ATOM 1405 H PHE A 88 6.019 -13.831 55.676 1.00 0.00 H TER 1406 PHE A 88 ATOM 1407 N MET B 0 17.687 -8.577 45.505 1.00 61.62 N ATOM 1408 CA MET B 0 16.305 -8.002 45.529 1.00 54.99 C ATOM 1409 C MET B 0 16.290 -6.584 44.974 1.00 49.69 C ATOM 1410 O MET B 0 17.196 -5.792 45.244 1.00 51.54 O ATOM 1411 CB MET B 0 15.764 -7.947 46.950 1.00 56.35 C ATOM 1412 CG MET B 0 15.737 -9.260 47.729 1.00 65.29 C ATOM 1413 SD MET B 0 14.331 -9.074 48.846 1.00 66.84 S ATOM 1414 CE MET B 0 13.002 -9.558 47.753 1.00 62.65 C ATOM 1415 HA MET B 0 15.684 -8.652 44.912 1.00 0.00 H ATOM 1416 HB2 MET B 0 16.380 -7.244 47.510 1.00 0.00 H ATOM 1417 HB3 MET B 0 14.742 -7.572 46.899 1.00 0.00 H ATOM 1418 HG2 MET B 0 16.662 -9.398 48.289 1.00 0.00 H ATOM 1419 HG3 MET B 0 15.590 -10.106 47.058 1.00 0.00 H ATOM 1420 HE1 MET B 0 12.978 -8.888 46.894 1.00 0.00 H ATOM 1421 HE2 MET B 0 13.167 -10.581 47.413 1.00 0.00 H ATOM 1422 HE3 MET B 0 12.054 -9.500 48.288 1.00 0.00 H ATOM 1423 HN3 MET B 0 18.317 -7.986 46.084 1.00 0.00 H ATOM 1424 HN2 MET B 0 18.035 -8.599 44.525 1.00 0.00 H ATOM 1425 HN1 MET B 0 17.666 -9.543 45.889 1.00 0.00 H ATOM 1426 N SER B 1 15.238 -6.264 44.231 1.00 44.72 N ATOM 1427 CA SER B 1 15.038 -4.941 43.661 1.00 41.99 C ATOM 1428 C SER B 1 14.765 -3.889 44.749 1.00 40.57 C ATOM 1429 O SER B 1 14.494 -4.239 45.904 1.00 40.38 O ATOM 1430 CB SER B 1 13.848 -4.984 42.706 1.00 40.82 C ATOM 1431 OG SER B 1 12.634 -4.833 43.432 1.00 39.49 O ATOM 1432 HA SER B 1 15.950 -4.659 43.134 1.00 0.00 H ATOM 1433 HB2 SER B 1 13.839 -5.940 42.183 1.00 0.00 H ATOM 1434 HB3 SER B 1 13.938 -4.175 41.981 1.00 0.00 H ATOM 1435 HG SER B 1 11.869 -4.862 42.804 1.00 0.00 H ATOM 1436 H SER B 1 14.521 -6.995 44.047 1.00 0.00 H ATOM 1437 N GLU B 2 14.818 -2.609 44.367 1.00 39.92 N ATOM 1438 CA GLU B 2 14.475 -1.470 45.269 1.00 39.44 C ATOM 1439 C GLU B 2 13.058 -1.660 45.830 1.00 35.93 C ATOM 1440 O GLU B 2 12.824 -1.489 47.026 1.00 35.11 O ATOM 1441 CB GLU B 2 14.582 -0.135 44.508 1.00 41.99 C ATOM 1442 CG GLU B 2 14.400 1.147 45.356 1.00 44.46 C ATOM 1443 CD GLU B 2 14.536 2.434 44.545 1.00 49.32 C ATOM 1444 OE1 GLU B 2 14.433 3.543 45.126 1.00 55.61 O ATOM 1445 OE2 GLU B 2 14.748 2.374 43.324 1.00 54.63 O ATOM 1446 HA GLU B 2 15.181 -1.447 46.099 1.00 0.00 H ATOM 1447 HB2 GLU B 2 15.568 -0.092 44.046 1.00 0.00 H ATOM 1448 HB3 GLU B 2 13.818 -0.132 43.731 1.00 0.00 H ATOM 1449 HG2 GLU B 2 13.408 1.126 45.807 1.00 0.00 H ATOM 1450 HG3 GLU B 2 15.155 1.152 46.142 1.00 0.00 H ATOM 1451 H GLU B 2 15.113 -2.396 43.393 1.00 0.00 H ATOM 1452 N LEU B 3 12.117 -2.035 44.968 1.00 34.70 N ATOM 1453 CA LEU B 3 10.751 -2.258 45.436 1.00 35.19 C ATOM 1454 C LEU B 3 10.620 -3.409 46.432 1.00 34.33 C ATOM 1455 O LEU B 3 9.897 -3.295 47.407 1.00 36.15 O ATOM 1456 CB LEU B 3 9.822 -2.538 44.284 1.00 37.17 C ATOM 1457 CG LEU B 3 8.555 -1.727 44.122 1.00 42.48 C ATOM 1458 CD1 LEU B 3 7.535 -2.595 43.388 1.00 42.40 C ATOM 1459 CD2 LEU B 3 7.983 -0.998 45.432 1.00 40.61 C ATOM 1460 HA LEU B 3 10.478 -1.334 45.945 1.00 0.00 H ATOM 1461 HB2 LEU B 3 10.402 -2.403 43.371 1.00 0.00 H ATOM 1462 HB3 LEU B 3 9.520 -3.582 44.369 1.00 0.00 H ATOM 1463 HG LEU B 3 8.807 -0.851 43.525 1.00 0.00 H ATOM 1464 HD21 LEU B 3 7.758 -1.745 46.193 1.00 0.00 H ATOM 1465 HD22 LEU B 3 8.730 -0.302 45.814 1.00 0.00 H ATOM 1466 HD23 LEU B 3 7.074 -0.453 45.176 1.00 0.00 H ATOM 1467 HD11 LEU B 3 7.933 -2.875 42.412 1.00 0.00 H ATOM 1468 HD12 LEU B 3 7.337 -3.494 43.972 1.00 0.00 H ATOM 1469 HD13 LEU B 3 6.610 -2.034 43.257 1.00 0.00 H ATOM 1470 H LEU B 3 12.353 -2.169 43.964 1.00 0.00 H ATOM 1471 N GLU B 4 11.316 -4.502 46.168 1.00 34.80 N ATOM 1472 CA GLU B 4 11.262 -5.691 47.025 1.00 37.01 C ATOM 1473 C GLU B 4 11.854 -5.403 48.411 1.00 38.04 C ATOM 1474 O GLU B 4 11.302 -5.794 49.427 1.00 39.96 O ATOM 1475 CB GLU B 4 11.975 -6.847 46.310 1.00 37.85 C ATOM 1476 CG GLU B 4 11.069 -7.454 45.188 1.00 39.46 C ATOM 1477 CD GLU B 4 11.784 -8.296 44.161 1.00 41.45 C ATOM 1478 OE1 GLU B 4 13.027 -8.305 44.099 1.00 43.83 O ATOM 1479 OE2 GLU B 4 11.094 -9.000 43.406 1.00 45.92 O ATOM 1480 HA GLU B 4 10.225 -5.978 47.197 1.00 0.00 H ATOM 1481 HB2 GLU B 4 12.897 -6.476 45.863 1.00 0.00 H ATOM 1482 HB3 GLU B 4 12.212 -7.624 47.037 1.00 0.00 H ATOM 1483 HG2 GLU B 4 10.313 -8.077 45.666 1.00 0.00 H ATOM 1484 HG3 GLU B 4 10.582 -6.630 44.667 1.00 0.00 H ATOM 1485 H GLU B 4 11.923 -4.519 45.323 1.00 0.00 H ATOM 1486 N LYS B 5 12.959 -4.663 48.422 1.00 38.57 N ATOM 1487 CA LYS B 5 13.658 -4.269 49.641 1.00 43.07 C ATOM 1488 C LYS B 5 12.792 -3.423 50.574 1.00 42.84 C ATOM 1489 O LYS B 5 12.824 -3.584 51.815 1.00 47.48 O ATOM 1490 CB LYS B 5 14.921 -3.493 49.254 1.00 45.52 C ATOM 1491 CG LYS B 5 16.031 -4.328 48.631 1.00 46.55 C ATOM 1492 CD LYS B 5 17.363 -3.566 48.646 1.00 54.07 C ATOM 1493 CE LYS B 5 18.436 -4.280 47.811 1.00 59.31 C ATOM 1494 NZ LYS B 5 19.802 -3.745 48.074 1.00 71.05 N ATOM 1495 HA LYS B 5 13.912 -5.176 50.189 1.00 0.00 H ATOM 1496 HB2 LYS B 5 14.637 -2.722 48.538 1.00 0.00 H ATOM 1497 HB3 LYS B 5 15.317 -3.023 50.154 1.00 0.00 H ATOM 1498 HG2 LYS B 5 16.142 -5.253 49.196 1.00 0.00 H ATOM 1499 HG3 LYS B 5 15.766 -4.563 47.600 1.00 0.00 H ATOM 1500 HD2 LYS B 5 17.204 -2.568 48.238 1.00 0.00 H ATOM 1501 HD3 LYS B 5 17.712 -3.485 49.675 1.00 0.00 H ATOM 1502 HE2 LYS B 5 18.204 -4.148 46.754 1.00 0.00 H ATOM 1503 HE3 LYS B 5 18.422 -5.342 48.055 1.00 0.00 H ATOM 1504 HZ1 LYS B 5 19.828 -2.733 47.837 1.00 0.00 H ATOM 1505 HZ2 LYS B 5 20.036 -3.873 49.079 1.00 0.00 H ATOM 1506 HZ3 LYS B 5 20.492 -4.257 47.488 1.00 0.00 H ATOM 1507 H LYS B 5 13.347 -4.347 47.510 1.00 0.00 H ATOM 1508 N ALA B 6 12.032 -2.520 49.960 1.00 34.14 N ATOM 1509 CA ALA B 6 11.070 -1.645 50.627 1.00 33.78 C ATOM 1510 C ALA B 6 9.909 -2.441 51.226 1.00 33.65 C ATOM 1511 O ALA B 6 9.484 -2.172 52.337 1.00 33.23 O ATOM 1512 CB ALA B 6 10.536 -0.613 49.628 1.00 32.63 C ATOM 1513 HA ALA B 6 11.582 -1.137 51.444 1.00 0.00 H ATOM 1514 HB1 ALA B 6 11.365 -0.017 49.246 1.00 0.00 H ATOM 1515 HB2 ALA B 6 10.046 -1.129 48.802 1.00 0.00 H ATOM 1516 HB3 ALA B 6 9.819 0.038 50.128 1.00 0.00 H ATOM 1517 H ALA B 6 12.130 -2.430 48.929 1.00 0.00 H ATOM 1518 N VAL B 7 9.399 -3.417 50.484 1.00 33.98 N ATOM 1519 CA VAL B 7 8.331 -4.272 51.023 1.00 35.27 C ATOM 1520 C VAL B 7 8.827 -5.052 52.247 1.00 36.12 C ATOM 1521 O VAL B 7 8.115 -5.149 53.267 1.00 36.05 O ATOM 1522 CB VAL B 7 7.802 -5.248 49.940 1.00 36.43 C ATOM 1523 CG1 VAL B 7 7.035 -6.394 50.552 1.00 37.58 C ATOM 1524 CG2 VAL B 7 6.951 -4.470 48.894 1.00 37.58 C ATOM 1525 HA VAL B 7 7.509 -3.627 51.333 1.00 0.00 H ATOM 1526 HB VAL B 7 8.655 -5.689 49.424 1.00 0.00 H ATOM 1527 HG11 VAL B 7 7.688 -6.948 51.226 1.00 0.00 H ATOM 1528 HG12 VAL B 7 6.184 -6.003 51.109 1.00 0.00 H ATOM 1529 HG13 VAL B 7 6.681 -7.056 49.762 1.00 0.00 H ATOM 1530 HG21 VAL B 7 6.107 -3.996 49.395 1.00 0.00 H ATOM 1531 HG22 VAL B 7 7.569 -3.707 48.420 1.00 0.00 H ATOM 1532 HG23 VAL B 7 6.584 -5.164 48.138 1.00 0.00 H ATOM 1533 H VAL B 7 9.755 -3.577 49.520 1.00 0.00 H ATOM 1534 N VAL B 8 10.041 -5.597 52.145 1.00 37.23 N ATOM 1535 CA VAL B 8 10.633 -6.409 53.248 1.00 39.22 C ATOM 1536 C VAL B 8 10.919 -5.502 54.443 1.00 38.16 C ATOM 1537 O VAL B 8 10.659 -5.862 55.612 1.00 38.30 O ATOM 1538 CB VAL B 8 11.903 -7.162 52.800 1.00 40.50 C ATOM 1539 CG1 VAL B 8 12.611 -7.802 53.988 1.00 44.63 C ATOM 1540 CG2 VAL B 8 11.560 -8.222 51.715 1.00 44.51 C ATOM 1541 HA VAL B 8 9.912 -7.173 53.538 1.00 0.00 H ATOM 1542 HB VAL B 8 12.587 -6.437 52.360 1.00 0.00 H ATOM 1543 HG11 VAL B 8 12.898 -7.027 54.699 1.00 0.00 H ATOM 1544 HG12 VAL B 8 11.938 -8.510 54.472 1.00 0.00 H ATOM 1545 HG13 VAL B 8 13.502 -8.325 53.640 1.00 0.00 H ATOM 1546 HG21 VAL B 8 10.849 -8.941 52.123 1.00 0.00 H ATOM 1547 HG22 VAL B 8 11.121 -7.725 50.850 1.00 0.00 H ATOM 1548 HG23 VAL B 8 12.471 -8.740 51.414 1.00 0.00 H ATOM 1549 H VAL B 8 10.589 -5.452 51.273 1.00 0.00 H ATOM 1550 N ALA B 9 11.427 -4.309 54.132 1.00 37.25 N ATOM 1551 CA ALA B 9 11.664 -3.265 55.127 1.00 37.11 C ATOM 1552 C ALA B 9 10.394 -2.839 55.893 1.00 36.51 C ATOM 1553 O ALA B 9 10.459 -2.618 57.104 1.00 37.67 O ATOM 1554 CB ALA B 9 12.376 -2.039 54.472 1.00 36.90 C ATOM 1555 HA ALA B 9 12.324 -3.697 55.879 1.00 0.00 H ATOM 1556 HB1 ALA B 9 13.332 -2.356 54.055 1.00 0.00 H ATOM 1557 HB2 ALA B 9 11.747 -1.637 53.678 1.00 0.00 H ATOM 1558 HB3 ALA B 9 12.544 -1.272 55.228 1.00 0.00 H ATOM 1559 H ALA B 9 11.665 -4.113 53.139 1.00 0.00 H ATOM 1560 N LEU B 10 9.232 -2.756 55.239 1.00 35.38 N ATOM 1561 CA LEU B 10 8.017 -2.412 56.003 1.00 34.63 C ATOM 1562 C LEU B 10 7.704 -3.489 57.040 1.00 35.42 C ATOM 1563 O LEU B 10 7.317 -3.183 58.171 1.00 35.55 O ATOM 1564 CB LEU B 10 6.811 -2.145 55.128 1.00 34.45 C ATOM 1565 CG LEU B 10 6.915 -1.164 53.944 1.00 35.33 C ATOM 1566 CD1 LEU B 10 5.603 -1.190 53.096 1.00 36.42 C ATOM 1567 CD2 LEU B 10 7.229 0.246 54.419 1.00 30.79 C ATOM 1568 HA LEU B 10 8.236 -1.475 56.516 1.00 0.00 H ATOM 1569 HB2 LEU B 10 6.504 -3.106 54.714 1.00 0.00 H ATOM 1570 HB3 LEU B 10 6.026 -1.766 55.782 1.00 0.00 H ATOM 1571 HG LEU B 10 7.741 -1.487 53.310 1.00 0.00 H ATOM 1572 HD21 LEU B 10 6.437 0.589 55.085 1.00 0.00 H ATOM 1573 HD22 LEU B 10 8.179 0.245 54.953 1.00 0.00 H ATOM 1574 HD23 LEU B 10 7.295 0.912 53.558 1.00 0.00 H ATOM 1575 HD11 LEU B 10 5.441 -2.196 52.710 1.00 0.00 H ATOM 1576 HD12 LEU B 10 4.760 -0.901 53.724 1.00 0.00 H ATOM 1577 HD13 LEU B 10 5.695 -0.491 52.265 1.00 0.00 H ATOM 1578 H LEU B 10 9.185 -2.930 54.215 1.00 0.00 H ATOM 1579 N ILE B 11 7.908 -4.739 56.656 1.00 35.90 N ATOM 1580 CA ILE B 11 7.668 -5.871 57.543 1.00 38.05 C ATOM 1581 C ILE B 11 8.702 -5.918 58.668 1.00 37.93 C ATOM 1582 O ILE B 11 8.350 -6.154 59.852 1.00 37.60 O ATOM 1583 CB ILE B 11 7.675 -7.185 56.736 1.00 40.69 C ATOM 1584 CG1 ILE B 11 6.374 -7.295 55.920 1.00 43.44 C ATOM 1585 CG2 ILE B 11 7.897 -8.410 57.649 1.00 45.17 C ATOM 1586 CD1 ILE B 11 6.538 -8.040 54.637 1.00 47.31 C ATOM 1587 HA ILE B 11 6.687 -5.748 58.002 1.00 0.00 H ATOM 1588 HB ILE B 11 8.514 -7.170 56.041 1.00 0.00 H ATOM 1589 HG12 ILE B 11 5.629 -7.810 56.526 1.00 0.00 H ATOM 1590 HG13 ILE B 11 6.023 -6.289 55.693 1.00 0.00 H ATOM 1591 HD11 ILE B 11 7.273 -7.531 54.014 1.00 0.00 H ATOM 1592 HD12 ILE B 11 6.879 -9.054 54.848 1.00 0.00 H ATOM 1593 HD13 ILE B 11 5.582 -8.078 54.116 1.00 0.00 H ATOM 1594 HG21 ILE B 11 8.856 -8.313 58.159 1.00 0.00 H ATOM 1595 HG22 ILE B 11 7.096 -8.462 58.386 1.00 0.00 H ATOM 1596 HG23 ILE B 11 7.896 -9.317 57.045 1.00 0.00 H ATOM 1597 H ILE B 11 8.250 -4.920 55.691 1.00 0.00 H ATOM 1598 N ASP B 12 9.964 -5.680 58.286 1.00 37.79 N ATOM 1599 CA ASP B 12 11.122 -5.734 59.169 1.00 39.51 C ATOM 1600 C ASP B 12 10.983 -4.759 60.340 1.00 38.63 C ATOM 1601 O ASP B 12 11.195 -5.114 61.520 1.00 40.24 O ATOM 1602 CB ASP B 12 12.381 -5.370 58.382 1.00 40.79 C ATOM 1603 CG ASP B 12 13.624 -5.536 59.197 1.00 43.81 C ATOM 1604 OD1 ASP B 12 13.608 -6.448 60.031 1.00 46.64 O ATOM 1605 OD2 ASP B 12 14.618 -4.807 58.980 1.00 45.43 O ATOM 1606 HA ASP B 12 11.191 -6.748 59.564 1.00 0.00 H ATOM 1607 HB2 ASP B 12 12.447 -6.015 57.506 1.00 0.00 H ATOM 1608 HB3 ASP B 12 12.307 -4.331 58.062 1.00 0.00 H ATOM 1609 H ASP B 12 10.129 -5.439 57.288 1.00 0.00 H ATOM 1610 N VAL B 13 10.644 -3.524 59.983 1.00 35.56 N ATOM 1611 CA VAL B 13 10.411 -2.470 60.934 1.00 34.72 C ATOM 1612 C VAL B 13 9.196 -2.752 61.825 1.00 34.04 C ATOM 1613 O VAL B 13 9.317 -2.647 63.035 1.00 35.69 O ATOM 1614 CB VAL B 13 10.244 -1.117 60.229 1.00 33.27 C ATOM 1615 CG1 VAL B 13 9.818 -0.049 61.250 1.00 33.59 C ATOM 1616 CG2 VAL B 13 11.558 -0.727 59.471 1.00 32.15 C ATOM 1617 HA VAL B 13 11.291 -2.428 61.576 1.00 0.00 H ATOM 1618 HB VAL B 13 9.457 -1.190 59.479 1.00 0.00 H ATOM 1619 HG11 VAL B 13 8.871 -0.340 61.704 1.00 0.00 H ATOM 1620 HG12 VAL B 13 10.581 0.038 62.023 1.00 0.00 H ATOM 1621 HG13 VAL B 13 9.701 0.909 60.744 1.00 0.00 H ATOM 1622 HG21 VAL B 13 12.380 -0.656 60.184 1.00 0.00 H ATOM 1623 HG22 VAL B 13 11.786 -1.489 58.726 1.00 0.00 H ATOM 1624 HG23 VAL B 13 11.419 0.235 58.978 1.00 0.00 H ATOM 1625 H VAL B 13 10.543 -3.310 58.970 1.00 0.00 H ATOM 1626 N PHE B 14 8.057 -3.138 61.239 1.00 33.60 N ATOM 1627 CA PHE B 14 6.863 -3.445 62.049 1.00 33.82 C ATOM 1628 C PHE B 14 7.214 -4.473 63.095 1.00 35.56 C ATOM 1629 O PHE B 14 6.915 -4.284 64.288 1.00 37.86 O ATOM 1630 CB PHE B 14 5.695 -3.996 61.213 1.00 33.97 C ATOM 1631 CG PHE B 14 4.484 -4.353 62.049 1.00 33.68 C ATOM 1632 CD1 PHE B 14 3.588 -3.353 62.460 1.00 31.39 C ATOM 1633 CD2 PHE B 14 4.243 -5.675 62.435 1.00 36.30 C ATOM 1634 CE1 PHE B 14 2.498 -3.665 63.270 1.00 33.66 C ATOM 1635 CE2 PHE B 14 3.137 -6.014 63.233 1.00 35.28 C ATOM 1636 CZ PHE B 14 2.267 -4.998 63.661 1.00 37.85 C ATOM 1637 HA PHE B 14 6.543 -2.505 62.500 1.00 0.00 H ATOM 1638 HB2 PHE B 14 5.403 -3.240 60.484 1.00 0.00 H ATOM 1639 HB3 PHE B 14 6.033 -4.891 60.691 1.00 0.00 H ATOM 1640 HD2 PHE B 14 4.927 -6.459 62.110 1.00 0.00 H ATOM 1641 HE2 PHE B 14 2.957 -7.051 63.516 1.00 0.00 H ATOM 1642 HZ PHE B 14 1.414 -5.241 64.295 1.00 0.00 H ATOM 1643 HE1 PHE B 14 1.823 -2.876 63.602 1.00 0.00 H ATOM 1644 HD1 PHE B 14 3.747 -2.322 62.142 1.00 0.00 H ATOM 1645 H PHE B 14 8.013 -3.222 60.203 1.00 0.00 H ATOM 1646 N HIS B 15 7.796 -5.594 62.664 1.00 36.83 N ATOM 1647 CA HIS B 15 8.137 -6.675 63.609 1.00 39.49 C ATOM 1648 C HIS B 15 9.165 -6.301 64.683 1.00 40.02 C ATOM 1649 O HIS B 15 9.098 -6.810 65.828 1.00 40.48 O ATOM 1650 CB HIS B 15 8.587 -7.955 62.894 1.00 42.64 C ATOM 1651 CG HIS B 15 8.771 -9.130 63.818 1.00 46.78 C ATOM 1652 ND1 HIS B 15 9.971 -9.803 63.941 1.00 52.70 N ATOM 1653 CD2 HIS B 15 7.914 -9.735 64.679 1.00 51.24 C ATOM 1654 CE1 HIS B 15 9.844 -10.781 64.824 1.00 57.71 C ATOM 1655 NE2 HIS B 15 8.606 -10.758 65.293 1.00 57.10 N ATOM 1656 HA HIS B 15 7.197 -6.857 64.130 1.00 0.00 H ATOM 1657 HB2 HIS B 15 7.835 -8.216 62.149 1.00 0.00 H ATOM 1658 HB3 HIS B 15 9.536 -7.756 62.396 1.00 0.00 H ATOM 1659 HD2 HIS B 15 6.873 -9.463 64.853 1.00 0.00 H ATOM 1660 HE1 HIS B 15 10.624 -11.484 65.115 1.00 0.00 H ATOM 1661 H HIS B 15 8.011 -5.707 61.653 1.00 0.00 H ATOM 1662 N GLN B 16 10.150 -5.488 64.291 1.00 39.48 N ATOM 1663 CA GLN B 16 11.180 -5.012 65.210 1.00 42.33 C ATOM 1664 C GLN B 16 10.540 -4.318 66.403 1.00 40.47 C ATOM 1665 O GLN B 16 10.999 -4.470 67.524 1.00 43.19 O ATOM 1666 CB GLN B 16 12.145 -4.053 64.511 1.00 42.46 C ATOM 1667 CG GLN B 16 13.108 -3.346 65.477 1.00 47.03 C ATOM 1668 CD GLN B 16 14.098 -2.412 64.783 1.00 50.16 C ATOM 1669 OE1 GLN B 16 14.238 -1.235 65.163 1.00 56.38 O ATOM 1670 NE2 GLN B 16 14.831 -2.942 63.808 1.00 54.05 N ATOM 1671 HA GLN B 16 11.746 -5.877 65.555 1.00 0.00 H ATOM 1672 HB2 GLN B 16 12.733 -4.619 63.789 1.00 0.00 H ATOM 1673 HB3 GLN B 16 11.562 -3.295 63.988 1.00 0.00 H ATOM 1674 HG2 GLN B 16 12.519 -2.761 66.183 1.00 0.00 H ATOM 1675 HG3 GLN B 16 13.672 -4.105 66.018 1.00 0.00 H ATOM 1676 HE22 GLN B 16 14.680 -3.931 63.523 1.00 0.00 H ATOM 1677 HE21 GLN B 16 15.555 -2.368 63.331 1.00 0.00 H ATOM 1678 H GLN B 16 10.184 -5.184 63.297 1.00 0.00 H ATOM 1679 N TYR B 17 9.479 -3.552 66.156 1.00 36.40 N ATOM 1680 CA TYR B 17 8.818 -2.813 67.241 1.00 35.06 C ATOM 1681 C TYR B 17 7.685 -3.632 67.872 1.00 35.50 C ATOM 1682 O TYR B 17 7.541 -3.646 69.089 1.00 36.30 O ATOM 1683 CB TYR B 17 8.396 -1.384 66.803 1.00 32.31 C ATOM 1684 CG TYR B 17 9.636 -0.526 66.534 1.00 32.47 C ATOM 1685 CD1 TYR B 17 10.282 -0.551 65.306 1.00 34.31 C ATOM 1686 CD2 TYR B 17 10.199 0.256 67.542 1.00 33.47 C ATOM 1687 CE1 TYR B 17 11.480 0.208 65.078 1.00 36.66 C ATOM 1688 CE2 TYR B 17 11.400 1.012 67.321 1.00 34.13 C ATOM 1689 CZ TYR B 17 12.020 0.973 66.126 1.00 35.35 C ATOM 1690 OH TYR B 17 13.174 1.709 65.952 1.00 38.51 O ATOM 1691 HA TYR B 17 9.549 -2.661 68.035 1.00 0.00 H ATOM 1692 HB3 TYR B 17 7.804 -0.924 67.595 1.00 0.00 H ATOM 1693 HB2 TYR B 17 7.798 -1.448 65.894 1.00 0.00 H ATOM 1694 HD2 TYR B 17 9.717 0.294 68.519 1.00 0.00 H ATOM 1695 HE2 TYR B 17 11.812 1.621 68.125 1.00 0.00 H ATOM 1696 HE1 TYR B 17 11.965 0.191 64.102 1.00 0.00 H ATOM 1697 HD1 TYR B 17 9.872 -1.158 64.499 1.00 0.00 H ATOM 1698 HH TYR B 17 13.510 1.580 65.030 1.00 0.00 H ATOM 1699 H TYR B 17 9.114 -3.476 65.185 1.00 0.00 H ATOM 1700 N SER B 18 6.936 -4.377 67.068 1.00 35.51 N ATOM 1701 CA SER B 18 5.775 -5.093 67.625 1.00 36.66 C ATOM 1702 C SER B 18 6.211 -6.235 68.528 1.00 38.73 C ATOM 1703 O SER B 18 5.500 -6.612 69.459 1.00 39.21 O ATOM 1704 CB SER B 18 4.860 -5.600 66.503 1.00 35.81 C ATOM 1705 OG SER B 18 5.463 -6.714 65.853 1.00 37.60 O ATOM 1706 HA SER B 18 5.209 -4.388 68.234 1.00 0.00 H ATOM 1707 HB2 SER B 18 4.699 -4.802 65.778 1.00 0.00 H ATOM 1708 HB3 SER B 18 3.902 -5.903 66.926 1.00 0.00 H ATOM 1709 HG SER B 18 5.608 -7.440 66.511 1.00 0.00 H ATOM 1710 H SER B 18 7.166 -4.454 66.057 1.00 0.00 H ATOM 1711 N GLY B 19 7.411 -6.744 68.251 1.00 41.19 N ATOM 1712 CA GLY B 19 7.965 -7.938 68.869 1.00 44.76 C ATOM 1713 C GLY B 19 8.528 -7.687 70.262 1.00 46.96 C ATOM 1714 O GLY B 19 8.950 -8.607 70.922 1.00 48.02 O ATOM 1715 HA3 GLY B 19 8.766 -8.317 68.234 1.00 0.00 H ATOM 1716 HA2 GLY B 19 7.177 -8.687 68.943 1.00 0.00 H ATOM 1717 H GLY B 19 7.993 -6.252 67.543 1.00 0.00 H ATOM 1718 N ARG B 20 8.511 -6.428 70.695 1.00 45.51 N ATOM 1719 CA ARG B 20 9.206 -6.043 71.908 1.00 48.53 C ATOM 1720 C ARG B 20 8.447 -6.420 73.173 1.00 50.54 C ATOM 1721 O ARG B 20 9.041 -6.956 74.086 1.00 53.10 O ATOM 1722 CB ARG B 20 9.505 -4.551 71.886 1.00 46.54 C ATOM 1723 CG ARG B 20 10.537 -4.180 70.856 1.00 47.57 C ATOM 1724 CD ARG B 20 10.693 -2.679 70.763 1.00 47.68 C ATOM 1725 NE ARG B 20 11.749 -2.330 69.823 1.00 46.40 N ATOM 1726 CZ ARG B 20 12.470 -1.213 69.876 1.00 49.98 C ATOM 1727 NH1 ARG B 20 12.259 -0.322 70.842 1.00 49.95 N ATOM 1728 NH2 ARG B 20 13.427 -0.997 68.977 1.00 49.03 N ATOM 1729 HA ARG B 20 10.141 -6.602 71.932 1.00 0.00 H ATOM 1730 HB2 ARG B 20 8.583 -4.014 71.665 1.00 0.00 H ATOM 1731 HB3 ARG B 20 9.871 -4.254 72.869 1.00 0.00 H ATOM 1732 HG2 ARG B 20 11.494 -4.622 71.134 1.00 0.00 H ATOM 1733 HG3 ARG B 20 10.228 -4.568 69.885 1.00 0.00 H ATOM 1734 HD2 ARG B 20 10.944 -2.283 71.747 1.00 0.00 H ATOM 1735 HD3 ARG B 20 9.754 -2.241 70.425 1.00 0.00 H ATOM 1736 HE ARG B 20 11.954 -3.001 69.056 1.00 0.00 H ATOM 1737 HH12 ARG B 20 12.826 0.549 70.879 1.00 0.00 H ATOM 1738 HH11 ARG B 20 11.528 -0.497 71.560 1.00 0.00 H ATOM 1739 HH22 ARG B 20 13.991 -0.124 69.018 1.00 0.00 H ATOM 1740 HH21 ARG B 20 13.611 -1.701 68.234 1.00 0.00 H ATOM 1741 H ARG B 20 7.990 -5.708 70.154 1.00 0.00 H ATOM 1742 N GLU B 21 7.141 -6.136 73.242 1.00 48.23 N ATOM 1743 CA GLU B 21 6.390 -6.450 74.475 1.00 50.93 C ATOM 1744 C GLU B 21 5.059 -7.141 74.174 1.00 49.04 C ATOM 1745 O GLU B 21 4.453 -6.898 73.130 1.00 44.16 O ATOM 1746 CB GLU B 21 6.125 -5.180 75.307 1.00 50.16 C ATOM 1747 CG GLU B 21 6.914 -3.935 74.884 1.00 51.00 C ATOM 1748 CD GLU B 21 6.969 -2.836 75.952 1.00 53.60 C ATOM 1749 OE1 GLU B 21 6.898 -3.153 77.168 1.00 59.18 O ATOM 1750 OE2 GLU B 21 7.103 -1.648 75.562 1.00 57.81 O ATOM 1751 HA GLU B 21 7.014 -7.134 75.050 1.00 0.00 H ATOM 1752 HB2 GLU B 21 5.063 -4.946 75.233 1.00 0.00 H ATOM 1753 HB3 GLU B 21 6.376 -5.400 76.345 1.00 0.00 H ATOM 1754 HG2 GLU B 21 7.935 -4.239 74.652 1.00 0.00 H ATOM 1755 HG3 GLU B 21 6.447 -3.521 73.990 1.00 0.00 H ATOM 1756 H GLU B 21 6.658 -5.697 72.433 1.00 0.00 H ATOM 1757 N GLY B 22 4.603 -7.995 75.101 1.00 50.85 N ATOM 1758 CA GLY B 22 3.256 -8.583 74.997 1.00 50.95 C ATOM 1759 C GLY B 22 2.958 -9.266 73.665 1.00 50.07 C ATOM 1760 O GLY B 22 3.729 -10.141 73.247 1.00 50.97 O ATOM 1761 HA3 GLY B 22 2.526 -7.787 75.141 1.00 0.00 H ATOM 1762 HA2 GLY B 22 3.146 -9.323 75.790 1.00 0.00 H ATOM 1763 H GLY B 22 5.210 -8.247 75.907 1.00 0.00 H ATOM 1764 N ASP B 23 1.850 -8.866 72.999 1.00 48.04 N ATOM 1765 CA ASP B 23 1.445 -9.507 71.746 1.00 48.20 C ATOM 1766 C ASP B 23 2.518 -9.138 70.727 1.00 46.04 C ATOM 1767 O ASP B 23 2.740 -7.950 70.437 1.00 43.81 O ATOM 1768 CB ASP B 23 0.062 -9.021 71.318 1.00 48.42 C ATOM 1769 CG ASP B 23 -0.428 -9.638 69.989 1.00 51.17 C ATOM 1770 OD1 ASP B 23 0.372 -9.972 69.077 1.00 50.84 O ATOM 1771 OD2 ASP B 23 -1.657 -9.786 69.861 1.00 55.70 O ATOM 1772 HA ASP B 23 1.364 -10.589 71.847 1.00 0.00 H ATOM 1773 HB2 ASP B 23 -0.651 -9.278 72.101 1.00 0.00 H ATOM 1774 HB3 ASP B 23 0.098 -7.938 71.203 1.00 0.00 H ATOM 1775 H ASP B 23 1.276 -8.089 73.384 1.00 0.00 H ATOM 1776 N LYS B 24 3.189 -10.153 70.200 1.00 47.02 N ATOM 1777 CA LYS B 24 4.354 -9.948 69.340 1.00 47.04 C ATOM 1778 C LYS B 24 3.982 -9.570 67.908 1.00 44.77 C ATOM 1779 O LYS B 24 4.854 -9.391 67.057 1.00 44.34 O ATOM 1780 CB LYS B 24 5.229 -11.212 69.334 1.00 50.77 C ATOM 1781 CG LYS B 24 5.693 -11.674 70.709 1.00 55.08 C ATOM 1782 CD LYS B 24 6.674 -10.711 71.322 1.00 56.24 C ATOM 1783 CE LYS B 24 7.515 -11.361 72.415 1.00 64.32 C ATOM 1784 NZ LYS B 24 8.687 -10.492 72.755 1.00 64.37 N ATOM 1785 HA LYS B 24 4.908 -9.107 69.756 1.00 0.00 H ATOM 1786 HB2 LYS B 24 4.655 -12.020 68.880 1.00 0.00 H ATOM 1787 HB3 LYS B 24 6.112 -11.011 68.728 1.00 0.00 H ATOM 1788 HG2 LYS B 24 4.826 -11.759 71.364 1.00 0.00 H ATOM 1789 HG3 LYS B 24 6.170 -12.649 70.611 1.00 0.00 H ATOM 1790 HD2 LYS B 24 7.338 -10.342 70.541 1.00 0.00 H ATOM 1791 HD3 LYS B 24 6.123 -9.875 71.753 1.00 0.00 H ATOM 1792 HE2 LYS B 24 7.874 -12.329 72.065 1.00 0.00 H ATOM 1793 HE3 LYS B 24 6.902 -11.502 73.305 1.00 0.00 H ATOM 1794 HZ1 LYS B 24 9.275 -10.358 71.908 1.00 0.00 H ATOM 1795 HZ2 LYS B 24 8.346 -9.569 73.092 1.00 0.00 H ATOM 1796 HZ3 LYS B 24 9.250 -10.948 73.501 1.00 0.00 H ATOM 1797 H LYS B 24 2.877 -11.124 70.404 1.00 0.00 H ATOM 1798 N HIS B 25 2.685 -9.480 67.633 1.00 44.45 N ATOM 1799 CA HIS B 25 2.207 -9.122 66.287 1.00 44.22 C ATOM 1800 C HIS B 25 1.374 -7.859 66.290 1.00 41.94 C ATOM 1801 O HIS B 25 0.700 -7.563 65.317 1.00 41.52 O ATOM 1802 CB HIS B 25 1.418 -10.277 65.685 1.00 47.99 C ATOM 1803 CG HIS B 25 2.235 -11.511 65.509 1.00 50.84 C ATOM 1804 ND1 HIS B 25 3.424 -11.511 64.811 1.00 51.08 N ATOM 1805 CD2 HIS B 25 2.055 -12.772 65.955 1.00 55.16 C ATOM 1806 CE1 HIS B 25 3.933 -12.728 64.823 1.00 57.13 C ATOM 1807 NE2 HIS B 25 3.120 -13.514 65.506 1.00 58.03 N ATOM 1808 HA HIS B 25 3.085 -8.925 65.672 1.00 0.00 H ATOM 1809 HB2 HIS B 25 0.580 -10.506 66.343 1.00 0.00 H ATOM 1810 HB3 HIS B 25 1.039 -9.969 64.710 1.00 0.00 H ATOM 1811 HD2 HIS B 25 1.222 -13.133 66.558 1.00 0.00 H ATOM 1812 HE1 HIS B 25 4.866 -13.033 64.350 1.00 0.00 H ATOM 1813 H HIS B 25 1.992 -9.667 68.386 1.00 0.00 H ATOM 1814 N LYS B 26 1.411 -7.125 67.403 1.00 39.68 N ATOM 1815 CA LYS B 26 0.704 -5.843 67.462 1.00 38.20 C ATOM 1816 C LYS B 26 1.592 -4.820 68.159 1.00 36.42 C ATOM 1817 O LYS B 26 2.414 -5.187 68.989 1.00 36.99 O ATOM 1818 CB LYS B 26 -0.631 -5.982 68.201 1.00 38.98 C ATOM 1819 CG LYS B 26 -1.729 -6.809 67.490 1.00 42.46 C ATOM 1820 CD LYS B 26 -3.005 -6.773 68.336 1.00 43.58 C ATOM 1821 CE LYS B 26 -3.931 -7.954 68.111 1.00 49.53 C ATOM 1822 NZ LYS B 26 -4.821 -8.164 69.342 1.00 50.10 N ATOM 1823 HA LYS B 26 0.485 -5.511 66.447 1.00 0.00 H ATOM 1824 HB2 LYS B 26 -0.430 -6.454 69.163 1.00 0.00 H ATOM 1825 HB3 LYS B 26 -1.025 -4.979 68.365 1.00 0.00 H ATOM 1826 HG2 LYS B 26 -1.929 -6.383 66.507 1.00 0.00 H ATOM 1827 HG3 LYS B 26 -1.394 -7.840 67.376 1.00 0.00 H ATOM 1828 HD2 LYS B 26 -2.719 -6.758 69.388 1.00 0.00 H ATOM 1829 HD3 LYS B 26 -3.550 -5.860 68.096 1.00 0.00 H ATOM 1830 HE2 LYS B 26 -3.337 -8.851 67.937 1.00 0.00 H ATOM 1831 HE3 LYS B 26 -4.558 -7.761 67.241 1.00 0.00 H ATOM 1832 HZ1 LYS B 26 -4.223 -8.350 70.173 1.00 0.00 H ATOM 1833 HZ2 LYS B 26 -5.390 -7.309 69.507 1.00 0.00 H ATOM 1834 HZ3 LYS B 26 -5.451 -8.975 69.178 1.00 0.00 H ATOM 1835 H LYS B 26 1.943 -7.463 68.230 1.00 0.00 H ATOM 1836 N LEU B 27 1.440 -3.550 67.801 1.00 35.23 N ATOM 1837 CA LEU B 27 2.140 -2.442 68.479 1.00 34.07 C ATOM 1838 C LEU B 27 1.230 -1.912 69.557 1.00 35.18 C ATOM 1839 O LEU B 27 0.140 -1.403 69.257 1.00 35.39 O ATOM 1840 CB LEU B 27 2.439 -1.278 67.508 1.00 32.71 C ATOM 1841 CG LEU B 27 3.199 -1.628 66.218 1.00 33.35 C ATOM 1842 CD1 LEU B 27 3.004 -0.581 65.141 1.00 31.77 C ATOM 1843 CD2 LEU B 27 4.697 -1.758 66.569 1.00 33.13 C ATOM 1844 HA LEU B 27 3.082 -2.819 68.876 1.00 0.00 H ATOM 1845 HB2 LEU B 27 1.485 -0.836 67.219 1.00 0.00 H ATOM 1846 HB3 LEU B 27 3.031 -0.540 68.050 1.00 0.00 H ATOM 1847 HG LEU B 27 2.809 -2.565 65.819 1.00 0.00 H ATOM 1848 HD21 LEU B 27 5.057 -0.813 66.975 1.00 0.00 H ATOM 1849 HD22 LEU B 27 4.828 -2.546 67.310 1.00 0.00 H ATOM 1850 HD23 LEU B 27 5.260 -2.006 65.669 1.00 0.00 H ATOM 1851 HD11 LEU B 27 1.944 -0.502 64.901 1.00 0.00 H ATOM 1852 HD12 LEU B 27 3.369 0.381 65.501 1.00 0.00 H ATOM 1853 HD13 LEU B 27 3.559 -0.871 64.249 1.00 0.00 H ATOM 1854 H LEU B 27 0.802 -3.327 67.011 1.00 0.00 H ATOM 1855 N LYS B 28 1.685 -2.009 70.802 1.00 36.01 N ATOM 1856 CA LYS B 28 1.021 -1.340 71.919 1.00 38.09 C ATOM 1857 C LYS B 28 1.505 0.108 71.894 1.00 37.06 C ATOM 1858 O LYS B 28 2.416 0.455 71.124 1.00 35.31 O ATOM 1859 CB LYS B 28 1.253 -2.091 73.269 1.00 40.49 C ATOM 1860 CG LYS B 28 2.725 -2.180 73.725 1.00 43.32 C ATOM 1861 CD LYS B 28 2.989 -3.231 74.867 1.00 44.12 C ATOM 1862 CE LYS B 28 1.987 -3.188 76.021 1.00 51.03 C ATOM 1863 NZ LYS B 28 2.409 -4.066 77.183 1.00 54.73 N ATOM 1864 HA LYS B 28 -0.064 -1.352 71.820 1.00 0.00 H ATOM 1865 HB2 LYS B 28 0.690 -1.573 74.045 1.00 0.00 H ATOM 1866 HB3 LYS B 28 0.871 -3.106 73.161 1.00 0.00 H ATOM 1867 HG2 LYS B 28 3.334 -2.453 72.863 1.00 0.00 H ATOM 1868 HG3 LYS B 28 3.030 -1.198 74.087 1.00 0.00 H ATOM 1869 HD2 LYS B 28 2.956 -4.227 74.426 1.00 0.00 H ATOM 1870 HD3 LYS B 28 3.983 -3.048 75.274 1.00 0.00 H ATOM 1871 HE2 LYS B 28 1.018 -3.530 75.657 1.00 0.00 H ATOM 1872 HE3 LYS B 28 1.900 -2.160 76.372 1.00 0.00 H ATOM 1873 HZ1 LYS B 28 2.488 -5.052 76.861 1.00 0.00 H ATOM 1874 HZ2 LYS B 28 3.330 -3.743 77.543 1.00 0.00 H ATOM 1875 HZ3 LYS B 28 1.698 -4.003 77.940 1.00 0.00 H ATOM 1876 H LYS B 28 2.537 -2.576 70.986 1.00 0.00 H ATOM 1877 N LYS B 29 0.890 0.976 72.688 1.00 38.40 N ATOM 1878 CA LYS B 29 1.224 2.397 72.617 1.00 37.44 C ATOM 1879 C LYS B 29 2.728 2.719 72.778 1.00 36.65 C ATOM 1880 O LYS B 29 3.285 3.513 71.999 1.00 33.74 O ATOM 1881 CB LYS B 29 0.371 3.195 73.604 1.00 41.12 C ATOM 1882 CG LYS B 29 -1.124 3.271 73.211 1.00 41.03 C ATOM 1883 CD LYS B 29 -1.870 4.040 74.274 1.00 48.73 C ATOM 1884 CE LYS B 29 -3.356 3.658 74.297 1.00 51.82 C ATOM 1885 NZ LYS B 29 -4.013 4.095 75.551 1.00 57.84 N ATOM 1886 HA LYS B 29 0.987 2.706 71.599 1.00 0.00 H ATOM 1887 HB2 LYS B 29 0.446 2.724 74.584 1.00 0.00 H ATOM 1888 HB3 LYS B 29 0.765 4.210 73.659 1.00 0.00 H ATOM 1889 HG2 LYS B 29 -1.225 3.779 72.252 1.00 0.00 H ATOM 1890 HG3 LYS B 29 -1.534 2.264 73.132 1.00 0.00 H ATOM 1891 HD2 LYS B 29 -1.431 3.819 75.247 1.00 0.00 H ATOM 1892 HD3 LYS B 29 -1.780 5.107 74.070 1.00 0.00 H ATOM 1893 HE2 LYS B 29 -3.444 2.575 74.210 1.00 0.00 H ATOM 1894 HE3 LYS B 29 -3.856 4.131 73.452 1.00 0.00 H ATOM 1895 HZ1 LYS B 29 -3.545 3.643 76.362 1.00 0.00 H ATOM 1896 HZ2 LYS B 29 -3.938 5.129 75.638 1.00 0.00 H ATOM 1897 HZ3 LYS B 29 -5.016 3.819 75.530 1.00 0.00 H ATOM 1898 H LYS B 29 0.170 0.645 73.361 1.00 0.00 H ATOM 1899 N SER B 30 3.379 2.137 73.787 1.00 37.74 N ATOM 1900 CA SER B 30 4.862 2.283 73.924 1.00 39.23 C ATOM 1901 C SER B 30 5.714 1.941 72.678 1.00 37.08 C ATOM 1902 O SER B 30 6.727 2.581 72.418 1.00 38.20 O ATOM 1903 CB SER B 30 5.375 1.501 75.129 1.00 41.47 C ATOM 1904 OG SER B 30 5.176 0.101 74.955 1.00 41.80 O ATOM 1905 HA SER B 30 4.996 3.356 74.062 1.00 0.00 H ATOM 1906 HB2 SER B 30 4.840 1.829 76.020 1.00 0.00 H ATOM 1907 HB3 SER B 30 6.440 1.697 75.253 1.00 0.00 H ATOM 1908 HG SER B 30 5.517 -0.381 75.750 1.00 0.00 H ATOM 1909 H SER B 30 2.850 1.576 74.485 1.00 0.00 H ATOM 1910 N GLU B 31 5.345 0.890 71.961 1.00 36.24 N ATOM 1911 CA GLU B 31 6.113 0.431 70.795 1.00 34.51 C ATOM 1912 C GLU B 31 5.859 1.329 69.588 1.00 32.46 C ATOM 1913 O GLU B 31 6.777 1.609 68.794 1.00 31.80 O ATOM 1914 CB GLU B 31 5.766 -1.041 70.442 1.00 35.15 C ATOM 1915 CG GLU B 31 6.066 -2.099 71.550 1.00 37.13 C ATOM 1916 CD GLU B 31 5.350 -3.435 71.287 1.00 37.63 C ATOM 1917 OE1 GLU B 31 4.224 -3.444 70.766 1.00 36.00 O ATOM 1918 OE2 GLU B 31 5.891 -4.505 71.597 1.00 38.81 O ATOM 1919 HA GLU B 31 7.170 0.485 71.056 1.00 0.00 H ATOM 1920 HB2 GLU B 31 4.701 -1.088 70.215 1.00 0.00 H ATOM 1921 HB3 GLU B 31 6.337 -1.315 69.555 1.00 0.00 H ATOM 1922 HG2 GLU B 31 7.141 -2.277 71.584 1.00 0.00 H ATOM 1923 HG3 GLU B 31 5.734 -1.706 72.511 1.00 0.00 H ATOM 1924 H GLU B 31 4.484 0.373 72.232 1.00 0.00 H ATOM 1925 N LEU B 32 4.615 1.780 69.439 1.00 31.85 N ATOM 1926 CA LEU B 32 4.261 2.735 68.362 1.00 31.54 C ATOM 1927 C LEU B 32 5.052 4.006 68.580 1.00 31.38 C ATOM 1928 O LEU B 32 5.592 4.568 67.655 1.00 31.21 O ATOM 1929 CB LEU B 32 2.774 3.121 68.453 1.00 32.53 C ATOM 1930 CG LEU B 32 1.920 3.520 67.221 1.00 35.02 C ATOM 1931 CD1 LEU B 32 0.801 4.522 67.610 1.00 32.80 C ATOM 1932 CD2 LEU B 32 2.661 3.880 65.880 1.00 33.29 C ATOM 1933 HA LEU B 32 4.473 2.272 67.398 1.00 0.00 H ATOM 1934 HB2 LEU B 32 2.270 2.265 68.902 1.00 0.00 H ATOM 1935 HB3 LEU B 32 2.726 3.968 69.137 1.00 0.00 H ATOM 1936 HG LEU B 32 1.461 2.576 66.926 1.00 0.00 H ATOM 1937 HD21 LEU B 32 3.322 4.730 66.049 1.00 0.00 H ATOM 1938 HD22 LEU B 32 3.246 3.022 65.548 1.00 0.00 H ATOM 1939 HD23 LEU B 32 1.925 4.136 65.117 1.00 0.00 H ATOM 1940 HD11 LEU B 32 0.147 4.064 68.352 1.00 0.00 H ATOM 1941 HD12 LEU B 32 1.251 5.423 68.027 1.00 0.00 H ATOM 1942 HD13 LEU B 32 0.222 4.780 66.723 1.00 0.00 H ATOM 1943 H LEU B 32 3.875 1.455 70.093 1.00 0.00 H ATOM 1944 N LYS B 33 5.083 4.475 69.819 1.00 32.72 N ATOM 1945 CA LYS B 33 5.820 5.698 70.128 1.00 34.41 C ATOM 1946 C LYS B 33 7.281 5.532 69.720 1.00 34.10 C ATOM 1947 O LYS B 33 7.838 6.410 69.048 1.00 35.05 O ATOM 1948 CB LYS B 33 5.687 6.044 71.610 1.00 35.01 C ATOM 1949 CG LYS B 33 6.358 7.373 72.003 1.00 38.97 C ATOM 1950 CD LYS B 33 6.375 7.530 73.544 1.00 41.09 C ATOM 1951 CE LYS B 33 7.451 8.486 74.002 1.00 42.11 C ATOM 1952 NZ LYS B 33 7.445 8.632 75.500 1.00 44.39 N ATOM 1953 HA LYS B 33 5.398 6.528 69.561 1.00 0.00 H ATOM 1954 HB2 LYS B 33 4.627 6.109 71.854 1.00 0.00 H ATOM 1955 HB3 LYS B 33 6.144 5.243 72.192 1.00 0.00 H ATOM 1956 HG2 LYS B 33 7.382 7.384 71.629 1.00 0.00 H ATOM 1957 HG3 LYS B 33 5.802 8.201 71.563 1.00 0.00 H ATOM 1958 HD2 LYS B 33 5.406 7.907 73.871 1.00 0.00 H ATOM 1959 HD3 LYS B 33 6.555 6.554 73.996 1.00 0.00 H ATOM 1960 HE2 LYS B 33 7.277 9.462 73.548 1.00 0.00 H ATOM 1961 HE3 LYS B 33 8.423 8.107 73.685 1.00 0.00 H ATOM 1962 HZ1 LYS B 33 6.521 8.998 75.808 1.00 0.00 H ATOM 1963 HZ2 LYS B 33 7.615 7.704 75.938 1.00 0.00 H ATOM 1964 HZ3 LYS B 33 8.194 9.294 75.786 1.00 0.00 H ATOM 1965 H LYS B 33 4.580 3.970 70.576 1.00 0.00 H ATOM 1966 N GLU B 34 7.873 4.385 70.083 1.00 35.05 N ATOM 1967 CA GLU B 34 9.248 4.103 69.708 1.00 35.83 C ATOM 1968 C GLU B 34 9.420 4.002 68.203 1.00 34.19 C ATOM 1969 O GLU B 34 10.335 4.615 67.667 1.00 34.38 O ATOM 1970 CB GLU B 34 9.850 2.928 70.476 1.00 38.77 C ATOM 1971 CG GLU B 34 9.926 3.163 72.040 1.00 41.93 C ATOM 1972 CD GLU B 34 10.440 4.567 72.492 1.00 50.51 C ATOM 1973 OE1 GLU B 34 11.323 5.165 71.812 1.00 53.04 O ATOM 1974 OE2 GLU B 34 9.988 5.076 73.576 1.00 55.84 O ATOM 1975 HA GLU B 34 9.838 4.966 70.018 1.00 0.00 H ATOM 1976 HB2 GLU B 34 9.239 2.045 70.290 1.00 0.00 H ATOM 1977 HB3 GLU B 34 10.860 2.754 70.104 1.00 0.00 H ATOM 1978 HG2 GLU B 34 8.925 3.026 72.448 1.00 0.00 H ATOM 1979 HG3 GLU B 34 10.594 2.411 72.459 1.00 0.00 H ATOM 1980 H GLU B 34 7.340 3.687 70.641 1.00 0.00 H ATOM 1981 N LEU B 35 8.497 3.315 67.513 1.00 33.34 N ATOM 1982 CA LEU B 35 8.574 3.262 66.065 1.00 32.03 C ATOM 1983 C LEU B 35 8.566 4.683 65.470 1.00 32.76 C ATOM 1984 O LEU B 35 9.494 5.079 64.717 1.00 32.80 O ATOM 1985 CB LEU B 35 7.463 2.362 65.474 1.00 32.30 C ATOM 1986 CG LEU B 35 7.505 2.098 63.957 1.00 31.40 C ATOM 1987 CD1 LEU B 35 6.865 0.740 63.653 1.00 33.65 C ATOM 1988 CD2 LEU B 35 6.803 3.195 63.185 1.00 28.57 C ATOM 1989 HA LEU B 35 9.521 2.802 65.785 1.00 0.00 H ATOM 1990 HB2 LEU B 35 7.520 1.397 65.977 1.00 0.00 H ATOM 1991 HB3 LEU B 35 6.505 2.832 65.699 1.00 0.00 H ATOM 1992 HG LEU B 35 8.548 2.087 63.640 1.00 0.00 H ATOM 1993 HD21 LEU B 35 5.760 3.248 63.498 1.00 0.00 H ATOM 1994 HD22 LEU B 35 7.293 4.148 63.384 1.00 0.00 H ATOM 1995 HD23 LEU B 35 6.852 2.976 62.118 1.00 0.00 H ATOM 1996 HD11 LEU B 35 7.415 -0.044 64.173 1.00 0.00 H ATOM 1997 HD12 LEU B 35 5.829 0.744 63.992 1.00 0.00 H ATOM 1998 HD13 LEU B 35 6.897 0.557 62.579 1.00 0.00 H ATOM 1999 H LEU B 35 7.730 2.823 68.014 1.00 0.00 H ATOM 2000 N ILE B 36 7.531 5.455 65.781 1.00 30.90 N ATOM 2001 CA ILE B 36 7.502 6.827 65.285 1.00 31.64 C ATOM 2002 C ILE B 36 8.795 7.622 65.586 1.00 32.06 C ATOM 2003 O ILE B 36 9.361 8.251 64.694 1.00 34.18 O ATOM 2004 CB ILE B 36 6.285 7.592 65.785 1.00 31.71 C ATOM 2005 CG1 ILE B 36 5.028 6.966 65.163 1.00 33.49 C ATOM 2006 CG2 ILE B 36 6.486 9.155 65.487 1.00 31.79 C ATOM 2007 CD1 ILE B 36 3.709 7.380 65.772 1.00 31.04 C ATOM 2008 HA ILE B 36 7.432 6.731 64.201 1.00 0.00 H ATOM 2009 HB ILE B 36 6.160 7.516 66.865 1.00 0.00 H ATOM 2010 HG12 ILE B 36 5.008 7.237 64.108 1.00 0.00 H ATOM 2011 HG13 ILE B 36 5.113 5.883 65.257 1.00 0.00 H ATOM 2012 HD11 ILE B 36 3.694 7.104 66.826 1.00 0.00 H ATOM 2013 HD12 ILE B 36 3.589 8.459 65.676 1.00 0.00 H ATOM 2014 HD13 ILE B 36 2.895 6.875 65.252 1.00 0.00 H ATOM 2015 HG21 ILE B 36 7.379 9.510 66.002 1.00 0.00 H ATOM 2016 HG22 ILE B 36 6.599 9.307 64.414 1.00 0.00 H ATOM 2017 HG23 ILE B 36 5.616 9.706 65.844 1.00 0.00 H ATOM 2018 H ILE B 36 6.755 5.088 66.368 1.00 0.00 H ATOM 2019 N ASN B 37 9.269 7.573 66.829 1.00 33.44 N ATOM 2020 CA ASN B 37 10.383 8.407 67.255 1.00 33.65 C ATOM 2021 C ASN B 37 11.683 7.983 66.590 1.00 34.51 C ATOM 2022 O ASN B 37 12.556 8.841 66.354 1.00 33.24 O ATOM 2023 CB ASN B 37 10.530 8.448 68.781 1.00 36.15 C ATOM 2024 CG ASN B 37 9.441 9.273 69.457 1.00 36.83 C ATOM 2025 OD1 ASN B 37 9.317 9.282 70.690 1.00 37.69 O ATOM 2026 ND2 ASN B 37 8.667 9.999 68.646 1.00 31.51 N ATOM 2027 HA ASN B 37 10.155 9.422 66.929 1.00 0.00 H ATOM 2028 HB2 ASN B 37 10.483 7.428 69.163 1.00 0.00 H ATOM 2029 HB3 ASN B 37 11.499 8.882 69.026 1.00 0.00 H ATOM 2030 HD22 ASN B 37 8.810 9.958 67.617 1.00 0.00 H ATOM 2031 HD21 ASN B 37 7.922 10.605 69.044 1.00 0.00 H ATOM 2032 H ASN B 37 8.832 6.922 67.513 1.00 0.00 H ATOM 2033 N ASN B 38 11.812 6.682 66.293 1.00 32.52 N ATOM 2034 CA ASN B 38 13.092 6.160 65.771 1.00 35.37 C ATOM 2035 C ASN B 38 13.121 5.843 64.268 1.00 34.83 C ATOM 2036 O ASN B 38 14.197 5.805 63.680 1.00 34.86 O ATOM 2037 CB ASN B 38 13.608 4.978 66.602 1.00 37.16 C ATOM 2038 CG ASN B 38 13.888 5.370 68.053 1.00 40.42 C ATOM 2039 OD1 ASN B 38 14.738 6.216 68.325 1.00 43.65 O ATOM 2040 ND2 ASN B 38 13.174 4.765 68.976 1.00 42.11 N ATOM 2041 HA ASN B 38 13.779 6.999 65.883 1.00 0.00 H ATOM 2042 HB2 ASN B 38 12.858 4.187 66.590 1.00 0.00 H ATOM 2043 HB3 ASN B 38 14.531 4.609 66.153 1.00 0.00 H ATOM 2044 HD22 ASN B 38 12.465 4.055 68.703 1.00 0.00 H ATOM 2045 HD21 ASN B 38 13.318 4.996 69.980 1.00 0.00 H ATOM 2046 H ASN B 38 11.008 6.037 66.431 1.00 0.00 H ATOM 2047 N GLU B 39 11.950 5.621 63.666 1.00 32.69 N ATOM 2048 CA GLU B 39 11.856 5.323 62.216 1.00 33.64 C ATOM 2049 C GLU B 39 11.219 6.411 61.372 1.00 32.33 C ATOM 2050 O GLU B 39 11.325 6.387 60.148 1.00 32.26 O ATOM 2051 CB GLU B 39 11.075 4.024 61.994 1.00 33.71 C ATOM 2052 CG GLU B 39 11.724 2.813 62.601 1.00 36.71 C ATOM 2053 CD GLU B 39 12.885 2.331 61.773 1.00 43.22 C ATOM 2054 OE1 GLU B 39 12.980 2.705 60.575 1.00 44.03 O ATOM 2055 OE2 GLU B 39 13.697 1.574 62.316 1.00 46.80 O ATOM 2056 HA GLU B 39 12.891 5.239 61.886 1.00 0.00 H ATOM 2057 HB2 GLU B 39 10.084 4.139 62.433 1.00 0.00 H ATOM 2058 HB3 GLU B 39 10.978 3.860 60.921 1.00 0.00 H ATOM 2059 HG2 GLU B 39 12.082 3.066 63.599 1.00 0.00 H ATOM 2060 HG3 GLU B 39 10.985 2.015 62.673 1.00 0.00 H ATOM 2061 H GLU B 39 11.078 5.658 64.231 1.00 0.00 H ATOM 2062 N LEU B 40 10.547 7.364 62.018 1.00 33.07 N ATOM 2063 CA LEU B 40 9.860 8.440 61.284 1.00 32.97 C ATOM 2064 C LEU B 40 10.222 9.841 61.745 1.00 34.67 C ATOM 2065 O LEU B 40 9.456 10.793 61.476 1.00 35.03 O ATOM 2066 CB LEU B 40 8.351 8.263 61.364 1.00 32.50 C ATOM 2067 CG LEU B 40 7.835 6.989 60.733 1.00 31.40 C ATOM 2068 CD1 LEU B 40 6.453 6.563 61.328 1.00 30.56 C ATOM 2069 CD2 LEU B 40 7.818 7.172 59.198 1.00 32.23 C ATOM 2070 HA LEU B 40 10.206 8.349 60.254 1.00 0.00 H ATOM 2071 HB2 LEU B 40 8.063 8.264 62.415 1.00 0.00 H ATOM 2072 HB3 LEU B 40 7.882 9.108 60.860 1.00 0.00 H ATOM 2073 HG LEU B 40 8.502 6.160 60.968 1.00 0.00 H ATOM 2074 HD21 LEU B 40 7.165 8.006 58.940 1.00 0.00 H ATOM 2075 HD22 LEU B 40 8.829 7.378 58.847 1.00 0.00 H ATOM 2076 HD23 LEU B 40 7.448 6.260 58.729 1.00 0.00 H ATOM 2077 HD11 LEU B 40 6.556 6.397 62.400 1.00 0.00 H ATOM 2078 HD12 LEU B 40 5.723 7.353 61.150 1.00 0.00 H ATOM 2079 HD13 LEU B 40 6.120 5.644 60.847 1.00 0.00 H ATOM 2080 H LEU B 40 10.507 7.347 63.057 1.00 0.00 H ATOM 2081 N SER B 41 11.397 9.975 62.377 1.00 39.92 N ATOM 2082 CA SER B 41 11.932 11.268 62.837 1.00 41.76 C ATOM 2083 C SER B 41 12.148 12.386 61.792 1.00 42.90 C ATOM 2084 O SER B 41 12.189 13.555 62.149 1.00 44.67 O ATOM 2085 CB SER B 41 13.234 11.038 63.611 1.00 43.46 C ATOM 2086 OG SER B 41 14.301 10.810 62.718 1.00 45.70 O ATOM 2087 HA SER B 41 11.127 11.660 63.458 1.00 0.00 H ATOM 2088 HB2 SER B 41 13.118 10.171 64.261 1.00 0.00 H ATOM 2089 HB3 SER B 41 13.453 11.918 64.216 1.00 0.00 H ATOM 2090 HG SER B 41 15.134 10.663 63.232 1.00 0.00 H ATOM 2091 H SER B 41 11.961 9.119 62.552 1.00 0.00 H ATOM 2092 N HIS B 42 12.278 12.053 60.515 1.00 42.34 N ATOM 2093 CA HIS B 42 12.293 13.070 59.466 1.00 44.45 C ATOM 2094 C HIS B 42 10.925 13.491 58.929 1.00 43.99 C ATOM 2095 O HIS B 42 10.765 14.609 58.446 1.00 46.68 O ATOM 2096 CB HIS B 42 13.228 12.661 58.322 1.00 45.95 C ATOM 2097 CG HIS B 42 14.616 12.363 58.781 1.00 48.89 C ATOM 2098 ND1 HIS B 42 14.973 11.135 59.299 1.00 50.26 N ATOM 2099 CD2 HIS B 42 15.712 13.153 58.888 1.00 53.12 C ATOM 2100 CE1 HIS B 42 16.247 11.167 59.656 1.00 53.61 C ATOM 2101 NE2 HIS B 42 16.716 12.383 59.426 1.00 54.12 N ATOM 2102 HA HIS B 42 12.677 13.963 59.959 1.00 0.00 H ATOM 2103 HB2 HIS B 42 12.822 11.770 57.843 1.00 0.00 H ATOM 2104 HB3 HIS B 42 13.269 13.475 57.598 1.00 0.00 H ATOM 2105 HD2 HIS B 42 15.784 14.202 58.601 1.00 0.00 H ATOM 2106 HE1 HIS B 42 16.814 10.333 60.069 1.00 0.00 H ATOM 2107 H HIS B 42 12.371 11.050 60.256 1.00 0.00 H ATOM 2108 N PHE B 43 9.947 12.603 59.029 1.00 42.03 N ATOM 2109 CA PHE B 43 8.637 12.771 58.389 1.00 41.58 C ATOM 2110 C PHE B 43 7.589 13.318 59.328 1.00 41.19 C ATOM 2111 O PHE B 43 6.699 14.042 58.884 1.00 41.93 O ATOM 2112 CB PHE B 43 8.109 11.425 57.844 1.00 39.60 C ATOM 2113 CG PHE B 43 8.826 10.916 56.594 1.00 40.30 C ATOM 2114 CD1 PHE B 43 9.905 11.587 56.056 1.00 41.66 C ATOM 2115 CD2 PHE B 43 8.442 9.701 56.019 1.00 40.98 C ATOM 2116 CE1 PHE B 43 10.567 11.096 54.905 1.00 43.99 C ATOM 2117 CE2 PHE B 43 9.080 9.207 54.873 1.00 40.74 C ATOM 2118 CZ PHE B 43 10.143 9.898 54.322 1.00 41.14 C ATOM 2119 HA PHE B 43 8.801 13.485 57.581 1.00 0.00 H ATOM 2120 HB2 PHE B 43 8.218 10.675 58.627 1.00 0.00 H ATOM 2121 HB3 PHE B 43 7.053 11.547 57.604 1.00 0.00 H ATOM 2122 HD2 PHE B 43 7.632 9.128 56.470 1.00 0.00 H ATOM 2123 HE2 PHE B 43 8.738 8.278 54.416 1.00 0.00 H ATOM 2124 HZ PHE B 43 10.648 9.511 53.437 1.00 0.00 H ATOM 2125 HE1 PHE B 43 11.403 11.649 54.476 1.00 0.00 H ATOM 2126 HD1 PHE B 43 10.253 12.508 56.524 1.00 0.00 H ATOM 2127 H PHE B 43 10.116 11.743 59.589 1.00 0.00 H ATOM 2128 N LEU B 44 7.699 12.966 60.616 1.00 40.89 N ATOM 2129 CA LEU B 44 6.675 13.275 61.621 1.00 41.19 C ATOM 2130 C LEU B 44 7.328 13.874 62.851 1.00 42.29 C ATOM 2131 O LEU B 44 8.467 13.548 63.140 1.00 42.58 O ATOM 2132 CB LEU B 44 5.933 12.008 62.040 1.00 39.51 C ATOM 2133 CG LEU B 44 5.144 11.137 61.063 1.00 40.23 C ATOM 2134 CD1 LEU B 44 4.516 10.049 61.888 1.00 41.20 C ATOM 2135 CD2 LEU B 44 4.082 11.930 60.336 1.00 46.44 C ATOM 2136 HA LEU B 44 5.971 13.982 61.182 1.00 0.00 H ATOM 2137 HB2 LEU B 44 6.684 11.355 62.484 1.00 0.00 H ATOM 2138 HB3 LEU B 44 5.222 12.317 62.807 1.00 0.00 H ATOM 2139 HG LEU B 44 5.802 10.734 60.293 1.00 0.00 H ATOM 2140 HD21 LEU B 44 3.385 12.351 61.061 1.00 0.00 H ATOM 2141 HD22 LEU B 44 4.553 12.736 59.773 1.00 0.00 H ATOM 2142 HD23 LEU B 44 3.545 11.273 59.652 1.00 0.00 H ATOM 2143 HD11 LEU B 44 5.298 9.474 62.385 1.00 0.00 H ATOM 2144 HD12 LEU B 44 3.860 10.495 62.636 1.00 0.00 H ATOM 2145 HD13 LEU B 44 3.936 9.392 61.240 1.00 0.00 H ATOM 2146 H LEU B 44 8.550 12.450 60.918 1.00 0.00 H ATOM 2147 N GLU B 45 6.611 14.757 63.549 1.00 43.28 N ATOM 2148 CA GLU B 45 7.046 15.336 64.842 1.00 45.46 C ATOM 2149 C GLU B 45 7.336 14.217 65.867 1.00 43.12 C ATOM 2150 O GLU B 45 6.619 13.215 65.895 1.00 40.80 O ATOM 2151 CB GLU B 45 5.939 16.263 65.408 1.00 46.90 C ATOM 2152 CG GLU B 45 5.558 17.495 64.523 1.00 50.08 C ATOM 2153 CD GLU B 45 4.198 18.174 64.921 1.00 52.29 C ATOM 2154 OE1 GLU B 45 3.424 17.650 65.769 1.00 52.24 O ATOM 2155 OE2 GLU B 45 3.902 19.255 64.362 1.00 58.59 O ATOM 2156 HA GLU B 45 7.956 15.910 64.669 1.00 0.00 H ATOM 2157 HB2 GLU B 45 5.040 15.662 65.549 1.00 0.00 H ATOM 2158 HB3 GLU B 45 6.279 16.638 66.373 1.00 0.00 H ATOM 2159 HG2 GLU B 45 6.351 18.238 64.611 1.00 0.00 H ATOM 2160 HG3 GLU B 45 5.485 17.164 63.487 1.00 0.00 H ATOM 2161 H GLU B 45 5.693 15.056 63.163 1.00 0.00 H ATOM 2162 N GLU B 46 8.392 14.362 66.667 1.00 43.86 N ATOM 2163 CA GLU B 46 8.628 13.450 67.809 1.00 44.76 C ATOM 2164 C GLU B 46 7.458 13.505 68.778 1.00 43.25 C ATOM 2165 O GLU B 46 6.937 14.565 69.059 1.00 45.21 O ATOM 2166 CB GLU B 46 9.886 13.824 68.610 1.00 47.77 C ATOM 2167 CG GLU B 46 10.326 12.666 69.517 1.00 49.84 C ATOM 2168 CD GLU B 46 11.217 13.064 70.673 1.00 56.65 C ATOM 2169 OE1 GLU B 46 12.072 13.976 70.520 1.00 59.56 O ATOM 2170 OE2 GLU B 46 11.065 12.436 71.748 1.00 58.16 O ATOM 2171 HA GLU B 46 8.751 12.456 67.379 1.00 0.00 H ATOM 2172 HB2 GLU B 46 10.693 14.060 67.917 1.00 0.00 H ATOM 2173 HB3 GLU B 46 9.670 14.697 69.226 1.00 0.00 H ATOM 2174 HG2 GLU B 46 9.431 12.197 69.925 1.00 0.00 H ATOM 2175 HG3 GLU B 46 10.867 11.944 68.906 1.00 0.00 H ATOM 2176 H GLU B 46 9.065 15.133 66.485 1.00 0.00 H ATOM 2177 N ILE B 47 7.039 12.362 69.283 1.00 41.69 N ATOM 2178 CA ILE B 47 6.025 12.372 70.313 1.00 40.74 C ATOM 2179 C ILE B 47 6.728 12.363 71.652 1.00 41.74 C ATOM 2180 O ILE B 47 7.536 11.499 71.925 1.00 40.78 O ATOM 2181 CB ILE B 47 5.056 11.205 70.222 1.00 39.22 C ATOM 2182 CG1 ILE B 47 4.315 11.254 68.866 1.00 38.38 C ATOM 2183 CG2 ILE B 47 4.054 11.341 71.354 1.00 37.88 C ATOM 2184 CD1 ILE B 47 4.229 9.927 68.218 1.00 40.51 C ATOM 2185 HA ILE B 47 5.418 13.268 70.183 1.00 0.00 H ATOM 2186 HB ILE B 47 5.590 10.258 70.298 1.00 0.00 H ATOM 2187 HG12 ILE B 47 3.305 11.628 69.033 1.00 0.00 H ATOM 2188 HG13 ILE B 47 4.847 11.934 68.201 1.00 0.00 H ATOM 2189 HD11 ILE B 47 5.234 9.546 68.038 1.00 0.00 H ATOM 2190 HD12 ILE B 47 3.690 9.240 68.870 1.00 0.00 H ATOM 2191 HD13 ILE B 47 3.699 10.021 67.270 1.00 0.00 H ATOM 2192 HG21 ILE B 47 4.581 11.321 72.308 1.00 0.00 H ATOM 2193 HG22 ILE B 47 3.519 12.285 71.252 1.00 0.00 H ATOM 2194 HG23 ILE B 47 3.345 10.514 71.312 1.00 0.00 H ATOM 2195 H ILE B 47 7.434 11.462 68.944 1.00 0.00 H ATOM 2196 N LYS B 48 6.410 13.354 72.467 1.00 43.48 N ATOM 2197 CA LYS B 48 7.063 13.544 73.752 1.00 46.32 C ATOM 2198 C LYS B 48 6.100 13.367 74.919 1.00 45.93 C ATOM 2199 O LYS B 48 6.526 13.410 76.068 1.00 48.53 O ATOM 2200 CB LYS B 48 7.693 14.946 73.798 1.00 49.23 C ATOM 2201 CG LYS B 48 8.778 15.200 72.724 1.00 51.68 C ATOM 2202 CD LYS B 48 8.914 16.719 72.416 1.00 52.90 C ATOM 2203 CE LYS B 48 7.878 17.137 71.342 1.00 53.95 C ATOM 2204 NZ LYS B 48 7.252 18.501 71.587 1.00 57.85 N ATOM 2205 HA LYS B 48 7.834 12.780 73.853 1.00 0.00 H ATOM 2206 HB2 LYS B 48 6.899 15.680 73.660 1.00 0.00 H ATOM 2207 HB3 LYS B 48 8.147 15.083 74.779 1.00 0.00 H ATOM 2208 HG2 LYS B 48 9.734 14.823 73.087 1.00 0.00 H ATOM 2209 HG3 LYS B 48 8.505 14.674 71.809 1.00 0.00 H ATOM 2210 HD2 LYS B 48 8.739 17.290 73.328 1.00 0.00 H ATOM 2211 HD3 LYS B 48 9.919 16.924 72.048 1.00 0.00 H ATOM 2212 HE2 LYS B 48 7.082 16.392 71.324 1.00 0.00 H ATOM 2213 HE3 LYS B 48 8.377 17.157 70.373 1.00 0.00 H ATOM 2214 HZ1 LYS B 48 6.761 18.496 72.504 1.00 0.00 H ATOM 2215 HZ2 LYS B 48 7.997 19.227 71.595 1.00 0.00 H ATOM 2216 HZ3 LYS B 48 6.572 18.710 70.829 1.00 0.00 H ATOM 2217 H LYS B 48 5.666 14.021 72.179 1.00 0.00 H ATOM 2218 N GLU B 49 4.813 13.152 74.634 1.00 43.50 N ATOM 2219 CA GLU B 49 3.771 13.108 75.670 1.00 43.56 C ATOM 2220 C GLU B 49 2.848 11.913 75.453 1.00 42.07 C ATOM 2221 O GLU B 49 2.446 11.609 74.314 1.00 39.24 O ATOM 2222 CB GLU B 49 2.911 14.382 75.663 1.00 44.47 C ATOM 2223 CG GLU B 49 3.639 15.707 75.922 1.00 45.62 C ATOM 2224 CD GLU B 49 3.815 15.992 77.381 1.00 48.57 C ATOM 2225 OE1 GLU B 49 3.473 15.115 78.209 1.00 48.34 O ATOM 2226 OE2 GLU B 49 4.271 17.107 77.711 1.00 50.84 O ATOM 2227 HA GLU B 49 4.284 13.023 76.628 1.00 0.00 H ATOM 2228 HB2 GLU B 49 2.433 14.453 74.686 1.00 0.00 H ATOM 2229 HB3 GLU B 49 2.147 14.269 76.432 1.00 0.00 H ATOM 2230 HG2 GLU B 49 4.622 15.663 75.454 1.00 0.00 H ATOM 2231 HG3 GLU B 49 3.061 16.516 75.475 1.00 0.00 H ATOM 2232 H GLU B 49 4.537 13.010 73.641 1.00 0.00 H ATOM 2233 N GLN B 50 2.477 11.256 76.548 1.00 43.61 N ATOM 2234 CA GLN B 50 1.639 10.053 76.434 1.00 43.61 C ATOM 2235 C GLN B 50 0.263 10.341 75.825 1.00 42.01 C ATOM 2236 O GLN B 50 -0.259 9.537 75.048 1.00 41.44 O ATOM 2237 CB GLN B 50 1.466 9.337 77.778 1.00 44.86 C ATOM 2238 CG GLN B 50 0.756 7.954 77.617 1.00 46.84 C ATOM 2239 CD GLN B 50 1.671 6.821 77.111 1.00 48.33 C ATOM 2240 OE1 GLN B 50 2.810 7.035 76.661 1.00 46.62 O ATOM 2241 NE2 GLN B 50 1.164 5.593 77.206 1.00 51.50 N ATOM 2242 HA GLN B 50 2.178 9.394 75.753 1.00 0.00 H ATOM 2243 HB2 GLN B 50 2.449 9.179 78.222 1.00 0.00 H ATOM 2244 HB3 GLN B 50 0.868 9.966 78.438 1.00 0.00 H ATOM 2245 HG2 GLN B 50 0.356 7.661 78.588 1.00 0.00 H ATOM 2246 HG3 GLN B 50 -0.064 8.072 76.908 1.00 0.00 H ATOM 2247 HE22 GLN B 50 0.207 5.454 77.588 1.00 0.00 H ATOM 2248 HE21 GLN B 50 1.725 4.773 76.898 1.00 0.00 H ATOM 2249 H GLN B 50 2.779 11.593 77.484 1.00 0.00 H ATOM 2250 N GLU B 51 -0.317 11.476 76.173 1.00 42.26 N ATOM 2251 CA GLU B 51 -1.666 11.806 75.702 1.00 42.05 C ATOM 2252 C GLU B 51 -1.710 12.051 74.193 1.00 39.58 C ATOM 2253 O GLU B 51 -2.761 11.908 73.591 1.00 37.61 O ATOM 2254 CB GLU B 51 -2.222 13.003 76.443 1.00 45.08 C ATOM 2255 CG GLU B 51 -1.177 13.896 76.993 1.00 49.75 C ATOM 2256 CD GLU B 51 -0.492 13.369 78.259 1.00 51.56 C ATOM 2257 OE1 GLU B 51 -1.083 13.482 79.354 1.00 53.08 O ATOM 2258 OE2 GLU B 51 0.659 12.880 78.138 1.00 48.25 O ATOM 2259 HA GLU B 51 -2.292 10.939 75.912 1.00 0.00 H ATOM 2260 HB2 GLU B 51 -2.840 13.579 75.754 1.00 0.00 H ATOM 2261 HB3 GLU B 51 -2.837 12.643 77.268 1.00 0.00 H ATOM 2262 HG2 GLU B 51 -0.414 14.040 76.228 1.00 0.00 H ATOM 2263 HG3 GLU B 51 -1.638 14.855 77.229 1.00 0.00 H ATOM 2264 H GLU B 51 0.190 12.144 76.789 1.00 0.00 H ATOM 2265 N VAL B 52 -0.562 12.415 73.615 1.00 37.69 N ATOM 2266 CA VAL B 52 -0.402 12.518 72.158 1.00 37.26 C ATOM 2267 C VAL B 52 -0.350 11.097 71.547 1.00 36.92 C ATOM 2268 O VAL B 52 -1.031 10.820 70.571 1.00 36.31 O ATOM 2269 CB VAL B 52 0.835 13.385 71.777 1.00 37.00 C ATOM 2270 CG1 VAL B 52 1.128 13.349 70.226 1.00 34.72 C ATOM 2271 CG2 VAL B 52 0.640 14.836 72.264 1.00 38.29 C ATOM 2272 HA VAL B 52 -1.263 13.035 71.736 1.00 0.00 H ATOM 2273 HB VAL B 52 1.704 12.958 72.277 1.00 0.00 H ATOM 2274 HG11 VAL B 52 1.324 12.322 69.918 1.00 0.00 H ATOM 2275 HG12 VAL B 52 0.263 13.733 69.685 1.00 0.00 H ATOM 2276 HG13 VAL B 52 1.999 13.967 70.008 1.00 0.00 H ATOM 2277 HG21 VAL B 52 -0.250 15.258 71.797 1.00 0.00 H ATOM 2278 HG22 VAL B 52 0.520 14.841 73.347 1.00 0.00 H ATOM 2279 HG23 VAL B 52 1.512 15.430 71.991 1.00 0.00 H ATOM 2280 H VAL B 52 0.253 12.635 74.222 1.00 0.00 H ATOM 2281 N VAL B 53 0.468 10.223 72.156 1.00 37.32 N ATOM 2282 CA VAL B 53 0.570 8.792 71.854 1.00 37.83 C ATOM 2283 C VAL B 53 -0.845 8.160 71.855 1.00 37.37 C ATOM 2284 O VAL B 53 -1.239 7.403 70.953 1.00 36.49 O ATOM 2285 CB VAL B 53 1.492 8.119 72.965 1.00 38.23 C ATOM 2286 CG1 VAL B 53 1.487 6.625 72.923 1.00 39.40 C ATOM 2287 CG2 VAL B 53 2.925 8.649 72.896 1.00 42.64 C ATOM 2288 HA VAL B 53 1.010 8.633 70.869 1.00 0.00 H ATOM 2289 HB VAL B 53 1.052 8.405 73.920 1.00 0.00 H ATOM 2290 HG11 VAL B 53 0.471 6.262 73.079 1.00 0.00 H ATOM 2291 HG12 VAL B 53 1.849 6.289 71.951 1.00 0.00 H ATOM 2292 HG13 VAL B 53 2.137 6.239 73.708 1.00 0.00 H ATOM 2293 HG21 VAL B 53 3.346 8.428 71.915 1.00 0.00 H ATOM 2294 HG22 VAL B 53 2.920 9.727 73.056 1.00 0.00 H ATOM 2295 HG23 VAL B 53 3.526 8.169 73.668 1.00 0.00 H ATOM 2296 H VAL B 53 1.083 10.594 72.908 1.00 0.00 H ATOM 2297 N ASP B 54 -1.593 8.464 72.904 1.00 39.83 N ATOM 2298 CA ASP B 54 -2.934 7.926 73.117 1.00 40.53 C ATOM 2299 C ASP B 54 -3.799 8.346 71.923 1.00 40.59 C ATOM 2300 O ASP B 54 -4.611 7.571 71.430 1.00 39.90 O ATOM 2301 CB ASP B 54 -3.544 8.532 74.381 1.00 43.13 C ATOM 2302 CG ASP B 54 -3.093 7.853 75.670 1.00 46.28 C ATOM 2303 OD1 ASP B 54 -2.225 6.939 75.683 1.00 45.33 O ATOM 2304 OD2 ASP B 54 -3.648 8.256 76.708 1.00 52.40 O ATOM 2305 HA ASP B 54 -2.887 6.842 73.219 1.00 0.00 H ATOM 2306 HB2 ASP B 54 -3.261 9.584 74.429 1.00 0.00 H ATOM 2307 HB3 ASP B 54 -4.629 8.452 74.312 1.00 0.00 H ATOM 2308 H ASP B 54 -1.206 9.119 73.613 1.00 0.00 H ATOM 2309 N LYS B 55 -3.610 9.591 71.491 1.00 40.71 N ATOM 2310 CA LYS B 55 -4.404 10.203 70.437 1.00 42.83 C ATOM 2311 C LYS B 55 -4.064 9.628 69.054 1.00 40.63 C ATOM 2312 O LYS B 55 -4.966 9.363 68.240 1.00 40.20 O ATOM 2313 CB LYS B 55 -4.218 11.730 70.486 1.00 44.61 C ATOM 2314 CG LYS B 55 -4.327 12.463 69.148 1.00 49.24 C ATOM 2315 CD LYS B 55 -5.749 12.948 68.869 1.00 55.85 C ATOM 2316 CE LYS B 55 -5.782 13.988 67.758 1.00 58.28 C ATOM 2317 NZ LYS B 55 -6.774 15.061 68.089 1.00 62.53 N ATOM 2318 HA LYS B 55 -5.455 9.970 70.607 1.00 0.00 H ATOM 2319 HB2 LYS B 55 -4.978 12.137 71.152 1.00 0.00 H ATOM 2320 HB3 LYS B 55 -3.229 11.933 70.898 1.00 0.00 H ATOM 2321 HG2 LYS B 55 -3.659 13.324 69.164 1.00 0.00 H ATOM 2322 HG3 LYS B 55 -4.024 11.785 68.350 1.00 0.00 H ATOM 2323 HD2 LYS B 55 -6.361 12.096 68.574 1.00 0.00 H ATOM 2324 HD3 LYS B 55 -6.157 13.389 69.778 1.00 0.00 H ATOM 2325 HE2 LYS B 55 -6.068 13.508 66.822 1.00 0.00 H ATOM 2326 HE3 LYS B 55 -4.792 14.432 67.649 1.00 0.00 H ATOM 2327 HZ1 LYS B 55 -7.719 14.638 68.191 1.00 0.00 H ATOM 2328 HZ2 LYS B 55 -6.501 15.521 68.981 1.00 0.00 H ATOM 2329 HZ3 LYS B 55 -6.789 15.766 67.324 1.00 0.00 H ATOM 2330 H LYS B 55 -2.855 10.156 71.930 1.00 0.00 H ATOM 2331 N VAL B 56 -2.775 9.407 68.806 1.00 38.30 N ATOM 2332 CA VAL B 56 -2.356 8.743 67.565 1.00 36.78 C ATOM 2333 C VAL B 56 -2.874 7.301 67.509 1.00 36.93 C ATOM 2334 O VAL B 56 -3.402 6.887 66.482 1.00 37.11 O ATOM 2335 CB VAL B 56 -0.809 8.702 67.384 1.00 35.50 C ATOM 2336 CG1 VAL B 56 -0.449 7.992 66.067 1.00 34.37 C ATOM 2337 CG2 VAL B 56 -0.241 10.098 67.389 1.00 36.91 C ATOM 2338 HA VAL B 56 -2.785 9.341 66.761 1.00 0.00 H ATOM 2339 HB VAL B 56 -0.377 8.147 68.217 1.00 0.00 H ATOM 2340 HG11 VAL B 56 -0.834 6.973 66.088 1.00 0.00 H ATOM 2341 HG12 VAL B 56 -0.893 8.532 65.231 1.00 0.00 H ATOM 2342 HG13 VAL B 56 0.635 7.970 65.952 1.00 0.00 H ATOM 2343 HG21 VAL B 56 -0.679 10.670 66.571 1.00 0.00 H ATOM 2344 HG22 VAL B 56 -0.475 10.581 68.338 1.00 0.00 H ATOM 2345 HG23 VAL B 56 0.840 10.049 67.261 1.00 0.00 H ATOM 2346 H VAL B 56 -2.058 9.707 69.497 1.00 0.00 H ATOM 2347 N MET B 57 -2.730 6.551 68.610 1.00 37.11 N ATOM 2348 CA MET B 57 -3.236 5.178 68.678 1.00 37.89 C ATOM 2349 C MET B 57 -4.748 5.126 68.360 1.00 40.14 C ATOM 2350 O MET B 57 -5.152 4.408 67.463 1.00 39.41 O ATOM 2351 CB MET B 57 -2.916 4.506 70.024 1.00 37.88 C ATOM 2352 CG MET B 57 -3.371 3.033 70.150 1.00 39.78 C ATOM 2353 SD MET B 57 -2.634 2.003 68.813 1.00 35.97 S ATOM 2354 CE MET B 57 -1.101 1.630 69.608 1.00 34.78 C ATOM 2355 HA MET B 57 -2.714 4.604 67.912 1.00 0.00 H ATOM 2356 HB2 MET B 57 -1.836 4.539 70.169 1.00 0.00 H ATOM 2357 HB3 MET B 57 -3.405 5.079 70.812 1.00 0.00 H ATOM 2358 HG2 MET B 57 -4.458 2.987 70.079 1.00 0.00 H ATOM 2359 HG3 MET B 57 -3.055 2.643 71.117 1.00 0.00 H ATOM 2360 HE1 MET B 57 -0.568 2.557 69.820 1.00 0.00 H ATOM 2361 HE2 MET B 57 -1.296 1.100 70.540 1.00 0.00 H ATOM 2362 HE3 MET B 57 -0.496 1.003 68.952 1.00 0.00 H ATOM 2363 H MET B 57 -2.246 6.954 69.438 1.00 0.00 H ATOM 2364 N GLU B 58 -5.578 5.926 69.032 1.00 41.83 N ATOM 2365 CA GLU B 58 -6.999 5.756 68.809 1.00 45.13 C ATOM 2366 C GLU B 58 -7.408 6.039 67.355 1.00 45.51 C ATOM 2367 O GLU B 58 -8.379 5.496 66.866 1.00 46.99 O ATOM 2368 CB GLU B 58 -7.828 6.508 69.835 1.00 48.06 C ATOM 2369 CG GLU B 58 -8.002 7.960 69.624 1.00 51.17 C ATOM 2370 CD GLU B 58 -9.059 8.481 70.561 1.00 57.94 C ATOM 2371 OE1 GLU B 58 -10.147 8.854 70.066 1.00 61.00 O ATOM 2372 OE2 GLU B 58 -8.815 8.457 71.796 1.00 60.05 O ATOM 2373 HA GLU B 58 -7.223 4.700 68.963 1.00 0.00 H ATOM 2374 HB2 GLU B 58 -8.820 6.057 69.851 1.00 0.00 H ATOM 2375 HB3 GLU B 58 -7.352 6.371 70.806 1.00 0.00 H ATOM 2376 HG2 GLU B 58 -7.059 8.471 69.819 1.00 0.00 H ATOM 2377 HG3 GLU B 58 -8.307 8.144 68.594 1.00 0.00 H ATOM 2378 H GLU B 58 -5.218 6.645 69.691 1.00 0.00 H ATOM 2379 N THR B 59 -6.621 6.856 66.663 1.00 44.07 N ATOM 2380 CA THR B 59 -6.778 7.050 65.229 1.00 45.07 C ATOM 2381 C THR B 59 -6.413 5.808 64.394 1.00 43.45 C ATOM 2382 O THR B 59 -7.187 5.378 63.517 1.00 43.79 O ATOM 2383 CB THR B 59 -5.879 8.207 64.790 1.00 44.57 C ATOM 2384 OG1 THR B 59 -6.384 9.418 65.366 1.00 48.90 O ATOM 2385 CG2 THR B 59 -5.811 8.324 63.277 1.00 46.50 C ATOM 2386 HA THR B 59 -7.833 7.257 65.052 1.00 0.00 H ATOM 2387 HB THR B 59 -4.863 8.019 65.138 1.00 0.00 H ATOM 2388 HG1 THR B 59 -6.378 9.340 66.353 1.00 0.00 H ATOM 2389 HG23 THR B 59 -5.425 7.394 62.859 1.00 0.00 H ATOM 2390 HG21 THR B 59 -6.809 8.514 62.883 1.00 0.00 H ATOM 2391 HG22 THR B 59 -5.150 9.147 63.007 1.00 0.00 H ATOM 2392 H THR B 59 -5.869 7.373 67.162 1.00 0.00 H ATOM 2393 N LEU B 60 -5.222 5.260 64.644 1.00 39.72 N ATOM 2394 CA LEU B 60 -4.709 4.172 63.813 1.00 39.11 C ATOM 2395 C LEU B 60 -5.380 2.855 64.168 1.00 40.20 C ATOM 2396 O LEU B 60 -5.506 1.959 63.331 1.00 40.45 O ATOM 2397 CB LEU B 60 -3.192 4.050 63.982 1.00 38.11 C ATOM 2398 CG LEU B 60 -2.403 5.292 63.572 1.00 37.13 C ATOM 2399 CD1 LEU B 60 -0.930 4.975 63.794 1.00 41.84 C ATOM 2400 CD2 LEU B 60 -2.709 5.689 62.119 1.00 38.98 C ATOM 2401 HA LEU B 60 -4.935 4.402 62.772 1.00 0.00 H ATOM 2402 HB2 LEU B 60 -2.982 3.845 65.032 1.00 0.00 H ATOM 2403 HB3 LEU B 60 -2.848 3.213 63.374 1.00 0.00 H ATOM 2404 HG LEU B 60 -2.688 6.156 64.173 1.00 0.00 H ATOM 2405 HD21 LEU B 60 -2.438 4.868 61.455 1.00 0.00 H ATOM 2406 HD22 LEU B 60 -3.773 5.903 62.019 1.00 0.00 H ATOM 2407 HD23 LEU B 60 -2.132 6.576 61.857 1.00 0.00 H ATOM 2408 HD11 LEU B 60 -0.764 4.742 64.846 1.00 0.00 H ATOM 2409 HD12 LEU B 60 -0.648 4.118 63.182 1.00 0.00 H ATOM 2410 HD13 LEU B 60 -0.327 5.839 63.513 1.00 0.00 H ATOM 2411 H LEU B 60 -4.652 5.611 65.440 1.00 0.00 H ATOM 2412 N ASP B 61 -5.779 2.743 65.433 1.00 39.76 N ATOM 2413 CA ASP B 61 -6.518 1.584 65.916 1.00 41.42 C ATOM 2414 C ASP B 61 -7.983 1.578 65.455 1.00 43.15 C ATOM 2415 O ASP B 61 -8.859 2.090 66.163 1.00 44.65 O ATOM 2416 CB ASP B 61 -6.416 1.547 67.454 1.00 40.84 C ATOM 2417 CG ASP B 61 -7.084 0.325 68.068 1.00 43.73 C ATOM 2418 OD1 ASP B 61 -7.159 -0.729 67.391 1.00 41.17 O ATOM 2419 OD2 ASP B 61 -7.498 0.433 69.243 1.00 44.15 O ATOM 2420 HA ASP B 61 -6.073 0.686 65.488 1.00 0.00 H ATOM 2421 HB2 ASP B 61 -5.362 1.543 67.732 1.00 0.00 H ATOM 2422 HB3 ASP B 61 -6.893 2.441 67.855 1.00 0.00 H ATOM 2423 H ASP B 61 -5.555 3.509 66.100 1.00 0.00 H ATOM 2424 N SER B 62 -8.252 0.968 64.296 1.00 43.95 N ATOM 2425 CA SER B 62 -9.622 0.897 63.724 1.00 47.37 C ATOM 2426 C SER B 62 -10.546 -0.147 64.351 1.00 49.22 C ATOM 2427 O SER B 62 -11.767 -0.026 64.239 1.00 52.04 O ATOM 2428 CB SER B 62 -9.590 0.616 62.221 1.00 47.21 C ATOM 2429 OG SER B 62 -8.325 0.905 61.671 1.00 48.97 O ATOM 2430 HA SER B 62 -10.029 1.883 63.950 1.00 0.00 H ATOM 2431 HB2 SER B 62 -10.341 1.234 61.728 1.00 0.00 H ATOM 2432 HB3 SER B 62 -9.819 -0.436 62.052 1.00 0.00 H ATOM 2433 HG SER B 62 -8.337 0.713 60.700 1.00 0.00 H ATOM 2434 H SER B 62 -7.470 0.525 63.773 1.00 0.00 H ATOM 2435 N ASP B 63 -9.981 -1.187 64.970 1.00 48.76 N ATOM 2436 CA ASP B 63 -10.804 -2.302 65.485 1.00 51.23 C ATOM 2437 C ASP B 63 -11.091 -2.210 66.975 1.00 52.14 C ATOM 2438 O ASP B 63 -11.727 -3.106 67.561 1.00 54.24 O ATOM 2439 CB ASP B 63 -10.261 -3.692 65.096 1.00 51.69 C ATOM 2440 CG ASP B 63 -8.832 -3.940 65.594 1.00 49.71 C ATOM 2441 OD1 ASP B 63 -8.380 -3.218 66.511 1.00 46.02 O ATOM 2442 OD2 ASP B 63 -8.155 -4.852 65.049 1.00 48.52 O ATOM 2443 HA ASP B 63 -11.763 -2.187 64.980 1.00 0.00 H ATOM 2444 HB2 ASP B 63 -10.915 -4.452 65.524 1.00 0.00 H ATOM 2445 HB3 ASP B 63 -10.270 -3.777 64.009 1.00 0.00 H ATOM 2446 H ASP B 63 -8.948 -1.213 65.091 1.00 0.00 H ATOM 2447 N GLY B 64 -10.645 -1.110 67.573 1.00 43.98 N ATOM 2448 CA GLY B 64 -11.005 -0.763 68.951 1.00 46.70 C ATOM 2449 C GLY B 64 -10.362 -1.643 69.984 1.00 47.75 C ATOM 2450 O GLY B 64 -10.931 -1.842 71.062 1.00 51.36 O ATOM 2451 HA3 GLY B 64 -12.087 -0.844 69.055 1.00 0.00 H ATOM 2452 HA2 GLY B 64 -10.700 0.267 69.138 1.00 0.00 H ATOM 2453 H GLY B 64 -10.017 -0.472 67.044 1.00 0.00 H ATOM 2454 N ASP B 65 -9.189 -2.189 69.670 1.00 46.35 N ATOM 2455 CA ASP B 65 -8.495 -3.090 70.608 1.00 47.11 C ATOM 2456 C ASP B 65 -7.310 -2.478 71.360 1.00 47.13 C ATOM 2457 O ASP B 65 -6.696 -3.132 72.195 1.00 48.23 O ATOM 2458 CB ASP B 65 -8.085 -4.400 69.922 1.00 47.12 C ATOM 2459 CG ASP B 65 -6.795 -4.275 69.087 1.00 43.52 C ATOM 2460 OD1 ASP B 65 -6.257 -3.163 68.839 1.00 38.41 O ATOM 2461 OD2 ASP B 65 -6.291 -5.328 68.687 1.00 44.21 O ATOM 2462 HA ASP B 65 -9.238 -3.295 71.379 1.00 0.00 H ATOM 2463 HB2 ASP B 65 -7.928 -5.158 70.689 1.00 0.00 H ATOM 2464 HB3 ASP B 65 -8.895 -4.714 69.263 1.00 0.00 H ATOM 2465 H ASP B 65 -8.756 -1.977 68.749 1.00 0.00 H ATOM 2466 N GLY B 66 -6.971 -1.230 71.048 1.00 45.83 N ATOM 2467 CA GLY B 66 -6.028 -0.467 71.876 1.00 46.98 C ATOM 2468 C GLY B 66 -4.608 -0.530 71.345 1.00 45.47 C ATOM 2469 O GLY B 66 -3.696 0.114 71.890 1.00 46.69 O ATOM 2470 HA3 GLY B 66 -6.042 -0.873 72.887 1.00 0.00 H ATOM 2471 HA2 GLY B 66 -6.347 0.575 71.900 1.00 0.00 H ATOM 2472 H GLY B 66 -7.382 -0.786 70.202 1.00 0.00 H ATOM 2473 N GLU B 67 -4.439 -1.306 70.275 1.00 42.50 N ATOM 2474 CA GLU B 67 -3.128 -1.647 69.717 1.00 40.75 C ATOM 2475 C GLU B 67 -3.156 -1.560 68.197 1.00 37.65 C ATOM 2476 O GLU B 67 -4.222 -1.467 67.591 1.00 37.11 O ATOM 2477 CB GLU B 67 -2.686 -3.053 70.184 1.00 41.58 C ATOM 2478 CG GLU B 67 -2.368 -3.135 71.677 1.00 43.44 C ATOM 2479 CD GLU B 67 -1.539 -4.351 72.044 1.00 46.38 C ATOM 2480 OE1 GLU B 67 -0.562 -4.698 71.349 1.00 47.50 O ATOM 2481 OE2 GLU B 67 -1.850 -4.978 73.049 1.00 51.68 O ATOM 2482 HA GLU B 67 -2.398 -0.926 70.084 1.00 0.00 H ATOM 2483 HB2 GLU B 67 -3.489 -3.757 69.964 1.00 0.00 H ATOM 2484 HB3 GLU B 67 -1.793 -3.336 69.626 1.00 0.00 H ATOM 2485 HG2 GLU B 67 -1.817 -2.240 71.964 1.00 0.00 H ATOM 2486 HG3 GLU B 67 -3.306 -3.175 72.230 1.00 0.00 H ATOM 2487 H GLU B 67 -5.286 -1.691 69.810 1.00 0.00 H ATOM 2488 N CYS B 68 -1.986 -1.572 67.567 1.00 36.86 N ATOM 2489 CA CYS B 68 -1.929 -1.356 66.119 1.00 34.22 C ATOM 2490 C CYS B 68 -1.406 -2.641 65.464 1.00 34.61 C ATOM 2491 O CYS B 68 -0.248 -3.002 65.666 1.00 36.14 O ATOM 2492 CB CYS B 68 -1.046 -0.137 65.794 1.00 33.74 C ATOM 2493 SG CYS B 68 -0.804 0.225 63.982 1.00 33.95 S ATOM 2494 HA CYS B 68 -2.920 -1.137 65.722 1.00 0.00 H ATOM 2495 HB2 CYS B 68 -0.064 -0.307 66.236 1.00 0.00 H ATOM 2496 HB3 CYS B 68 -1.503 0.740 66.253 1.00 0.00 H ATOM 2497 HG CYS B 68 0.002 1.336 63.840 1.00 0.00 H ATOM 2498 H CYS B 68 -1.110 -1.735 68.103 1.00 0.00 H ATOM 2499 N ASP B 69 -2.262 -3.328 64.710 1.00 34.29 N ATOM 2500 CA ASP B 69 -1.893 -4.597 64.075 1.00 36.71 C ATOM 2501 C ASP B 69 -1.236 -4.317 62.715 1.00 35.59 C ATOM 2502 O ASP B 69 -1.055 -3.154 62.358 1.00 35.16 O ATOM 2503 CB ASP B 69 -3.096 -5.606 64.016 1.00 38.15 C ATOM 2504 CG ASP B 69 -4.287 -5.116 63.142 1.00 37.66 C ATOM 2505 OD1 ASP B 69 -4.100 -4.373 62.162 1.00 38.36 O ATOM 2506 OD2 ASP B 69 -5.442 -5.505 63.435 1.00 41.65 O ATOM 2507 HA ASP B 69 -1.152 -5.107 64.691 1.00 0.00 H ATOM 2508 HB2 ASP B 69 -2.734 -6.549 63.606 1.00 0.00 H ATOM 2509 HB3 ASP B 69 -3.459 -5.768 65.031 1.00 0.00 H ATOM 2510 H ASP B 69 -3.221 -2.953 64.567 1.00 0.00 H ATOM 2511 N PHE B 70 -0.832 -5.346 61.969 1.00 36.94 N ATOM 2512 CA PHE B 70 -0.075 -5.060 60.741 1.00 37.36 C ATOM 2513 C PHE B 70 -0.884 -4.316 59.667 1.00 36.15 C ATOM 2514 O PHE B 70 -0.339 -3.484 58.925 1.00 35.36 O ATOM 2515 CB PHE B 70 0.607 -6.303 60.162 1.00 39.86 C ATOM 2516 CG PHE B 70 1.502 -6.006 58.995 1.00 40.85 C ATOM 2517 CD1 PHE B 70 2.727 -5.361 59.180 1.00 43.74 C ATOM 2518 CD2 PHE B 70 1.115 -6.341 57.704 1.00 43.08 C ATOM 2519 CE1 PHE B 70 3.547 -5.066 58.107 1.00 44.90 C ATOM 2520 CE2 PHE B 70 1.925 -6.057 56.618 1.00 44.46 C ATOM 2521 CZ PHE B 70 3.150 -5.423 56.813 1.00 46.17 C ATOM 2522 HA PHE B 70 0.709 -4.373 61.059 1.00 0.00 H ATOM 2523 HB2 PHE B 70 1.205 -6.766 60.947 1.00 0.00 H ATOM 2524 HB3 PHE B 70 -0.165 -7.000 59.836 1.00 0.00 H ATOM 2525 HD2 PHE B 70 0.157 -6.836 57.543 1.00 0.00 H ATOM 2526 HE2 PHE B 70 1.605 -6.329 55.612 1.00 0.00 H ATOM 2527 HZ PHE B 70 3.796 -5.206 55.962 1.00 0.00 H ATOM 2528 HE1 PHE B 70 4.498 -4.558 58.268 1.00 0.00 H ATOM 2529 HD1 PHE B 70 3.041 -5.086 60.187 1.00 0.00 H ATOM 2530 H PHE B 70 -1.047 -6.325 62.248 1.00 0.00 H ATOM 2531 N GLN B 71 -2.172 -4.641 59.559 1.00 37.74 N ATOM 2532 CA GLN B 71 -3.029 -3.985 58.564 1.00 37.63 C ATOM 2533 C GLN B 71 -3.267 -2.526 58.946 1.00 34.83 C ATOM 2534 O GLN B 71 -3.273 -1.663 58.093 1.00 34.56 O ATOM 2535 CB GLN B 71 -4.348 -4.759 58.365 1.00 39.80 C ATOM 2536 CG GLN B 71 -4.145 -6.060 57.623 1.00 44.30 C ATOM 2537 CD GLN B 71 -3.474 -5.845 56.260 1.00 47.97 C ATOM 2538 OE1 GLN B 71 -3.833 -4.924 55.526 1.00 45.66 O ATOM 2539 NE2 GLN B 71 -2.495 -6.697 55.923 1.00 48.42 N ATOM 2540 HA GLN B 71 -2.515 -3.993 57.603 1.00 0.00 H ATOM 2541 HB2 GLN B 71 -4.778 -4.976 59.343 1.00 0.00 H ATOM 2542 HB3 GLN B 71 -5.038 -4.135 57.797 1.00 0.00 H ATOM 2543 HG2 GLN B 71 -3.516 -6.715 58.226 1.00 0.00 H ATOM 2544 HG3 GLN B 71 -5.115 -6.532 57.468 1.00 0.00 H ATOM 2545 HE22 GLN B 71 -2.224 -7.461 56.574 1.00 0.00 H ATOM 2546 HE21 GLN B 71 -2.007 -6.594 55.011 1.00 0.00 H ATOM 2547 H GLN B 71 -2.574 -5.367 60.186 1.00 0.00 H ATOM 2548 N GLU B 72 -3.408 -2.258 60.244 1.00 34.54 N ATOM 2549 CA GLU B 72 -3.522 -0.881 60.751 1.00 32.61 C ATOM 2550 C GLU B 72 -2.232 -0.097 60.523 1.00 32.99 C ATOM 2551 O GLU B 72 -2.272 1.098 60.174 1.00 33.55 O ATOM 2552 CB GLU B 72 -3.969 -0.889 62.232 1.00 33.11 C ATOM 2553 CG GLU B 72 -5.378 -1.485 62.427 1.00 33.38 C ATOM 2554 CD GLU B 72 -5.716 -1.689 63.900 1.00 33.76 C ATOM 2555 OE1 GLU B 72 -4.776 -1.893 64.683 1.00 31.58 O ATOM 2556 OE2 GLU B 72 -6.906 -1.660 64.278 1.00 33.64 O ATOM 2557 HA GLU B 72 -4.295 -0.360 60.186 1.00 0.00 H ATOM 2558 HB2 GLU B 72 -3.257 -1.481 62.808 1.00 0.00 H ATOM 2559 HB3 GLU B 72 -3.970 0.136 62.601 1.00 0.00 H ATOM 2560 HG2 GLU B 72 -6.110 -0.807 61.989 1.00 0.00 H ATOM 2561 HG3 GLU B 72 -5.426 -2.448 61.918 1.00 0.00 H ATOM 2562 H GLU B 72 -3.438 -3.047 60.920 1.00 0.00 H ATOM 2563 N PHE B 73 -1.096 -0.784 60.641 1.00 33.43 N ATOM 2564 CA PHE B 73 0.198 -0.175 60.339 1.00 33.18 C ATOM 2565 C PHE B 73 0.345 0.121 58.847 1.00 34.24 C ATOM 2566 O PHE B 73 0.878 1.131 58.485 1.00 33.78 O ATOM 2567 CB PHE B 73 1.333 -1.063 60.825 1.00 34.27 C ATOM 2568 CG PHE B 73 2.721 -0.537 60.495 1.00 33.82 C ATOM 2569 CD1 PHE B 73 3.227 0.585 61.134 1.00 36.08 C ATOM 2570 CD2 PHE B 73 3.507 -1.183 59.550 1.00 34.23 C ATOM 2571 CE1 PHE B 73 4.507 1.068 60.846 1.00 37.11 C ATOM 2572 CE2 PHE B 73 4.774 -0.737 59.257 1.00 37.02 C ATOM 2573 CZ PHE B 73 5.282 0.400 59.917 1.00 39.61 C ATOM 2574 HA PHE B 73 0.248 0.776 60.870 1.00 0.00 H ATOM 2575 HB2 PHE B 73 1.252 -1.160 61.908 1.00 0.00 H ATOM 2576 HB3 PHE B 73 1.221 -2.045 60.365 1.00 0.00 H ATOM 2577 HD2 PHE B 73 3.113 -2.058 59.032 1.00 0.00 H ATOM 2578 HE2 PHE B 73 5.382 -1.260 58.519 1.00 0.00 H ATOM 2579 HZ PHE B 73 6.289 0.753 59.694 1.00 0.00 H ATOM 2580 HE1 PHE B 73 4.888 1.958 61.347 1.00 0.00 H ATOM 2581 HD1 PHE B 73 2.615 1.100 61.875 1.00 0.00 H ATOM 2582 H PHE B 73 -1.131 -1.775 60.955 1.00 0.00 H ATOM 2583 N MET B 74 -0.105 -0.785 57.987 1.00 35.07 N ATOM 2584 CA MET B 74 -0.122 -0.498 56.553 1.00 36.29 C ATOM 2585 C MET B 74 -0.984 0.705 56.136 1.00 35.81 C ATOM 2586 O MET B 74 -0.572 1.469 55.279 1.00 36.26 O ATOM 2587 CB MET B 74 -0.507 -1.724 55.760 1.00 38.19 C ATOM 2588 CG MET B 74 0.541 -2.831 55.856 1.00 42.25 C ATOM 2589 SD MET B 74 2.114 -2.387 55.083 1.00 46.94 S ATOM 2590 CE MET B 74 1.576 -1.693 53.500 1.00 47.74 C ATOM 2591 HA MET B 74 0.903 -0.210 56.318 1.00 0.00 H ATOM 2592 HB2 MET B 74 -1.455 -2.105 56.141 1.00 0.00 H ATOM 2593 HB3 MET B 74 -0.624 -1.442 54.714 1.00 0.00 H ATOM 2594 HG2 MET B 74 0.151 -3.722 55.363 1.00 0.00 H ATOM 2595 HG3 MET B 74 0.721 -3.049 56.909 1.00 0.00 H ATOM 2596 HE1 MET B 74 1.025 -2.450 52.942 1.00 0.00 H ATOM 2597 HE2 MET B 74 0.932 -0.833 53.682 1.00 0.00 H ATOM 2598 HE3 MET B 74 2.449 -1.380 52.926 1.00 0.00 H ATOM 2599 H MET B 74 -0.447 -1.703 58.335 1.00 0.00 H ATOM 2600 N ALA B 75 -2.159 0.852 56.742 1.00 34.86 N ATOM 2601 CA ALA B 75 -2.978 2.059 56.587 1.00 35.53 C ATOM 2602 C ALA B 75 -2.190 3.327 56.903 1.00 34.44 C ATOM 2603 O ALA B 75 -2.222 4.302 56.139 1.00 34.30 O ATOM 2604 CB ALA B 75 -4.230 1.976 57.470 1.00 35.76 C ATOM 2605 HA ALA B 75 -3.282 2.113 55.542 1.00 0.00 H ATOM 2606 HB1 ALA B 75 -4.821 1.107 57.180 1.00 0.00 H ATOM 2607 HB2 ALA B 75 -3.931 1.882 58.514 1.00 0.00 H ATOM 2608 HB3 ALA B 75 -4.825 2.880 57.341 1.00 0.00 H ATOM 2609 H ALA B 75 -2.510 0.083 57.348 1.00 0.00 H ATOM 2610 N PHE B 76 -1.466 3.285 58.016 1.00 33.52 N ATOM 2611 CA PHE B 76 -0.597 4.349 58.463 1.00 34.01 C ATOM 2612 C PHE B 76 0.494 4.615 57.443 1.00 35.08 C ATOM 2613 O PHE B 76 0.724 5.773 57.063 1.00 35.70 O ATOM 2614 CB PHE B 76 0.022 3.951 59.825 1.00 34.33 C ATOM 2615 CG PHE B 76 0.836 5.045 60.494 1.00 36.33 C ATOM 2616 CD1 PHE B 76 0.458 6.381 60.420 1.00 36.51 C ATOM 2617 CD2 PHE B 76 1.971 4.708 61.250 1.00 36.96 C ATOM 2618 CE1 PHE B 76 1.201 7.371 61.089 1.00 37.02 C ATOM 2619 CE2 PHE B 76 2.740 5.693 61.901 1.00 38.90 C ATOM 2620 CZ PHE B 76 2.340 7.029 61.831 1.00 39.67 C ATOM 2621 HA PHE B 76 -1.176 5.265 58.577 1.00 0.00 H ATOM 2622 HB2 PHE B 76 -0.788 3.670 60.498 1.00 0.00 H ATOM 2623 HB3 PHE B 76 0.674 3.092 59.665 1.00 0.00 H ATOM 2624 HD2 PHE B 76 2.263 3.661 61.335 1.00 0.00 H ATOM 2625 HE2 PHE B 76 3.638 5.415 62.453 1.00 0.00 H ATOM 2626 HZ PHE B 76 2.909 7.800 62.350 1.00 0.00 H ATOM 2627 HE1 PHE B 76 0.888 8.413 61.030 1.00 0.00 H ATOM 2628 HD1 PHE B 76 -0.420 6.663 59.840 1.00 0.00 H ATOM 2629 H PHE B 76 -1.529 2.430 58.604 1.00 0.00 H ATOM 2630 N VAL B 77 1.170 3.545 56.997 1.00 34.95 N ATOM 2631 CA VAL B 77 2.232 3.708 56.011 1.00 35.57 C ATOM 2632 C VAL B 77 1.672 4.278 54.728 1.00 35.72 C ATOM 2633 O VAL B 77 2.352 5.109 54.089 1.00 36.23 O ATOM 2634 CB VAL B 77 3.067 2.408 55.707 1.00 37.37 C ATOM 2635 CG1 VAL B 77 4.116 2.679 54.611 1.00 39.96 C ATOM 2636 CG2 VAL B 77 3.757 1.915 56.958 1.00 37.87 C ATOM 2637 HA VAL B 77 2.938 4.404 56.465 1.00 0.00 H ATOM 2638 HB VAL B 77 2.377 1.641 55.355 1.00 0.00 H ATOM 2639 HG11 VAL B 77 3.612 2.997 53.698 1.00 0.00 H ATOM 2640 HG12 VAL B 77 4.794 3.464 54.945 1.00 0.00 H ATOM 2641 HG13 VAL B 77 4.681 1.767 54.417 1.00 0.00 H ATOM 2642 HG21 VAL B 77 4.429 2.689 57.330 1.00 0.00 H ATOM 2643 HG22 VAL B 77 3.009 1.686 57.717 1.00 0.00 H ATOM 2644 HG23 VAL B 77 4.328 1.016 56.726 1.00 0.00 H ATOM 2645 H VAL B 77 0.936 2.597 57.355 1.00 0.00 H ATOM 2646 N ALA B 78 0.464 3.861 54.334 1.00 33.05 N ATOM 2647 CA ALA B 78 -0.122 4.420 53.103 1.00 35.08 C ATOM 2648 C ALA B 78 -0.437 5.930 53.245 1.00 35.51 C ATOM 2649 O ALA B 78 -0.220 6.688 52.287 1.00 36.55 O ATOM 2650 CB ALA B 78 -1.361 3.646 52.653 1.00 34.57 C ATOM 2651 HA ALA B 78 0.635 4.311 52.326 1.00 0.00 H ATOM 2652 HB1 ALA B 78 -1.089 2.608 52.459 1.00 0.00 H ATOM 2653 HB2 ALA B 78 -2.117 3.685 53.437 1.00 0.00 H ATOM 2654 HB3 ALA B 78 -1.757 4.095 51.742 1.00 0.00 H ATOM 2655 H ALA B 78 -0.055 3.151 54.889 1.00 0.00 H ATOM 2656 N MET B 79 -0.935 6.337 54.427 1.00 40.96 N ATOM 2657 CA MET B 79 -1.159 7.758 54.755 1.00 45.37 C ATOM 2658 C MET B 79 0.140 8.547 54.540 1.00 39.83 C ATOM 2659 O MET B 79 0.155 9.588 53.876 1.00 40.13 O ATOM 2660 CB MET B 79 -1.619 7.936 56.225 1.00 52.62 C ATOM 2661 CG MET B 79 -3.027 7.495 56.547 1.00 62.76 C ATOM 2662 SD MET B 79 -3.614 7.827 58.291 1.00 77.87 S ATOM 2663 CE MET B 79 -5.172 6.761 58.242 1.00 87.58 C ATOM 2664 HA MET B 79 -1.945 8.132 54.099 1.00 0.00 H ATOM 2665 HB2 MET B 79 -0.940 7.364 56.857 1.00 0.00 H ATOM 2666 HB3 MET B 79 -1.538 8.995 56.472 1.00 0.00 H ATOM 2667 HG2 MET B 79 -3.088 6.421 56.374 1.00 0.00 H ATOM 2668 HG3 MET B 79 -3.702 8.011 55.864 1.00 0.00 H ATOM 2669 HE1 MET B 79 -5.834 7.124 57.456 1.00 0.00 H ATOM 2670 HE2 MET B 79 -4.897 5.726 58.038 1.00 0.00 H ATOM 2671 HE3 MET B 79 -5.681 6.820 59.204 1.00 0.00 H ATOM 2672 H MET B 79 -1.172 5.619 55.141 1.00 0.00 H ATOM 2673 N ILE B 80 1.233 8.036 55.113 1.00 36.61 N ATOM 2674 CA ILE B 80 2.530 8.710 55.074 1.00 34.41 C ATOM 2675 C ILE B 80 3.068 8.788 53.635 1.00 32.13 C ATOM 2676 O ILE B 80 3.546 9.840 53.218 1.00 33.53 O ATOM 2677 CB ILE B 80 3.561 8.065 56.032 1.00 34.73 C ATOM 2678 CG1 ILE B 80 3.046 8.047 57.476 1.00 39.02 C ATOM 2679 CG2 ILE B 80 4.906 8.791 55.949 1.00 35.89 C ATOM 2680 CD1 ILE B 80 3.901 7.192 58.441 1.00 42.17 C ATOM 2681 HA ILE B 80 2.372 9.728 55.431 1.00 0.00 H ATOM 2682 HB ILE B 80 3.706 7.032 55.716 1.00 0.00 H ATOM 2683 HG12 ILE B 80 3.032 9.072 57.847 1.00 0.00 H ATOM 2684 HG13 ILE B 80 2.031 7.649 57.473 1.00 0.00 H ATOM 2685 HD11 ILE B 80 3.917 6.159 58.092 1.00 0.00 H ATOM 2686 HD12 ILE B 80 4.918 7.584 58.467 1.00 0.00 H ATOM 2687 HD13 ILE B 80 3.469 7.233 59.441 1.00 0.00 H ATOM 2688 HG21 ILE B 80 5.287 8.732 54.929 1.00 0.00 H ATOM 2689 HG22 ILE B 80 4.771 9.836 56.228 1.00 0.00 H ATOM 2690 HG23 ILE B 80 5.614 8.320 56.631 1.00 0.00 H ATOM 2691 H ILE B 80 1.159 7.123 55.606 1.00 0.00 H ATOM 2692 N THR B 81 3.004 7.680 52.900 1.00 30.33 N ATOM 2693 CA THR B 81 3.558 7.608 51.572 1.00 30.68 C ATOM 2694 C THR B 81 2.807 8.518 50.616 1.00 32.49 C ATOM 2695 O THR B 81 3.395 9.012 49.643 1.00 34.50 O ATOM 2696 CB THR B 81 3.523 6.166 50.991 1.00 32.89 C ATOM 2697 OG1 THR B 81 4.129 5.243 51.912 1.00 33.19 O ATOM 2698 CG2 THR B 81 4.249 6.110 49.676 1.00 35.02 C ATOM 2699 HA THR B 81 4.596 7.928 51.666 1.00 0.00 H ATOM 2700 HB THR B 81 2.481 5.887 50.834 1.00 0.00 H ATOM 2701 HG1 THR B 81 3.633 5.259 52.768 1.00 0.00 H ATOM 2702 HG23 THR B 81 3.789 6.810 48.978 1.00 0.00 H ATOM 2703 HG21 THR B 81 5.294 6.380 49.828 1.00 0.00 H ATOM 2704 HG22 THR B 81 4.188 5.100 49.272 1.00 0.00 H ATOM 2705 H THR B 81 2.539 6.839 53.297 1.00 0.00 H ATOM 2706 N THR B 82 1.497 8.645 50.826 1.00 34.22 N ATOM 2707 CA THR B 82 0.658 9.552 50.052 1.00 38.75 C ATOM 2708 C THR B 82 1.002 11.026 50.291 1.00 38.63 C ATOM 2709 O THR B 82 0.997 11.824 49.347 1.00 41.51 O ATOM 2710 CB THR B 82 -0.852 9.278 50.333 1.00 44.44 C ATOM 2711 OG1 THR B 82 -1.174 7.961 49.879 1.00 47.08 O ATOM 2712 CG2 THR B 82 -1.768 10.271 49.605 1.00 53.05 C ATOM 2713 HA THR B 82 0.862 9.353 49.000 1.00 0.00 H ATOM 2714 HB THR B 82 -1.013 9.387 51.406 1.00 0.00 H ATOM 2715 HG1 THR B 82 -0.617 7.301 50.363 1.00 0.00 H ATOM 2716 HG23 THR B 82 -1.540 11.284 49.936 1.00 0.00 H ATOM 2717 HG21 THR B 82 -1.604 10.193 48.530 1.00 0.00 H ATOM 2718 HG22 THR B 82 -2.808 10.038 49.833 1.00 0.00 H ATOM 2719 H THR B 82 1.055 8.073 51.573 1.00 0.00 H ATOM 2720 N ALA B 83 1.255 11.390 51.552 1.00 37.06 N ATOM 2721 CA ALA B 83 1.672 12.733 51.883 1.00 39.01 C ATOM 2722 C ALA B 83 3.048 12.990 51.282 1.00 35.64 C ATOM 2723 O ALA B 83 3.303 14.064 50.729 1.00 37.34 O ATOM 2724 CB ALA B 83 1.645 12.985 53.409 1.00 42.53 C ATOM 2725 HA ALA B 83 0.964 13.442 51.453 1.00 0.00 H ATOM 2726 HB1 ALA B 83 0.631 12.840 53.782 1.00 0.00 H ATOM 2727 HB2 ALA B 83 2.319 12.286 53.903 1.00 0.00 H ATOM 2728 HB3 ALA B 83 1.966 14.007 53.613 1.00 0.00 H ATOM 2729 H ALA B 83 1.149 10.689 52.313 1.00 0.00 H ATOM 2730 N CYS B 84 3.928 11.995 51.357 1.00 32.66 N ATOM 2731 CA CYS B 84 5.242 12.123 50.726 1.00 33.18 C ATOM 2732 C CYS B 84 5.143 12.262 49.214 1.00 35.57 C ATOM 2733 O CYS B 84 5.814 13.154 48.650 1.00 39.04 O ATOM 2734 CB CYS B 84 6.160 10.995 51.154 1.00 32.43 C ATOM 2735 SG CYS B 84 6.590 11.133 52.917 1.00 38.45 S ATOM 2736 HA CYS B 84 5.691 13.052 51.078 1.00 0.00 H ATOM 2737 HB2 CYS B 84 7.073 11.034 50.560 1.00 0.00 H ATOM 2738 HB3 CYS B 84 5.658 10.043 50.983 1.00 0.00 H ATOM 2739 HG CYS B 84 5.438 11.078 53.675 1.00 0.00 H ATOM 2740 H CYS B 84 3.681 11.123 51.866 1.00 0.00 H ATOM 2741 N HIS B 85 4.327 11.405 48.558 1.00 34.77 N ATOM 2742 CA HIS B 85 4.144 11.445 47.072 1.00 40.12 C ATOM 2743 C HIS B 85 3.660 12.812 46.594 1.00 43.63 C ATOM 2744 O HIS B 85 4.172 13.368 45.616 1.00 48.19 O ATOM 2745 CB HIS B 85 3.236 10.290 46.557 1.00 41.04 C ATOM 2746 CG HIS B 85 2.938 10.340 45.069 1.00 53.44 C ATOM 2747 ND1 HIS B 85 1.744 10.798 44.568 1.00 58.27 N ATOM 2748 CD2 HIS B 85 3.666 9.944 43.997 1.00 57.18 C ATOM 2749 CE1 HIS B 85 1.762 10.729 43.241 1.00 77.66 C ATOM 2750 NE2 HIS B 85 2.906 10.178 42.873 1.00 76.43 N ATOM 2751 HA HIS B 85 5.128 11.285 46.631 1.00 0.00 H ATOM 2752 HB2 HIS B 85 3.732 9.344 46.774 1.00 0.00 H ATOM 2753 HB3 HIS B 85 2.290 10.334 47.096 1.00 0.00 H ATOM 2754 HD2 HIS B 85 4.669 9.518 44.020 1.00 0.00 H ATOM 2755 HE1 HIS B 85 0.971 11.068 42.572 1.00 0.00 H ATOM 2756 H HIS B 85 3.807 10.691 49.107 1.00 0.00 H ATOM 2757 N GLU B 86 2.674 13.345 47.309 1.00 44.81 N ATOM 2758 CA GLU B 86 2.125 14.661 47.054 1.00 52.05 C ATOM 2759 C GLU B 86 3.153 15.785 47.202 1.00 53.00 C ATOM 2760 O GLU B 86 3.192 16.706 46.385 1.00 57.96 O ATOM 2761 CB GLU B 86 0.922 14.887 47.969 1.00 55.85 C ATOM 2762 CG GLU B 86 -0.429 15.060 47.168 1.00 69.88 C ATOM 2763 CD GLU B 86 -1.189 13.715 46.886 1.00 72.47 C ATOM 2764 OE1 GLU B 86 -0.550 12.623 47.037 1.00 66.60 O ATOM 2765 OE2 GLU B 86 -2.448 13.702 46.480 1.00 83.99 O ATOM 2766 HA GLU B 86 1.810 14.692 46.011 1.00 0.00 H ATOM 2767 HB2 GLU B 86 0.825 14.030 48.636 1.00 0.00 H ATOM 2768 HB3 GLU B 86 1.096 15.787 48.558 1.00 0.00 H ATOM 2769 HG2 GLU B 86 -1.087 15.710 47.744 1.00 0.00 H ATOM 2770 HG3 GLU B 86 -0.201 15.531 46.212 1.00 0.00 H ATOM 2771 H GLU B 86 2.276 12.788 48.092 1.00 0.00 H ATOM 2772 N PHE B 87 3.995 15.685 48.231 1.00 49.30 N ATOM 2773 CA PHE B 87 5.116 16.609 48.432 1.00 52.49 C ATOM 2774 C PHE B 87 6.145 16.568 47.284 1.00 54.41 C ATOM 2775 O PHE B 87 6.663 17.613 46.891 1.00 59.83 O ATOM 2776 CB PHE B 87 5.796 16.361 49.803 1.00 50.36 C ATOM 2777 CG PHE B 87 7.001 17.254 50.066 1.00 56.01 C ATOM 2778 CD1 PHE B 87 6.838 18.560 50.524 1.00 63.24 C ATOM 2779 CD2 PHE B 87 8.293 16.787 49.828 1.00 57.08 C ATOM 2780 CE1 PHE B 87 7.944 19.380 50.749 1.00 70.25 C ATOM 2781 CE2 PHE B 87 9.406 17.598 50.040 1.00 64.28 C ATOM 2782 CZ PHE B 87 9.231 18.900 50.505 1.00 70.56 C ATOM 2783 HA PHE B 87 4.695 17.615 48.428 1.00 0.00 H ATOM 2784 HB2 PHE B 87 5.060 16.537 50.588 1.00 0.00 H ATOM 2785 HB3 PHE B 87 6.124 15.322 49.841 1.00 0.00 H ATOM 2786 HD2 PHE B 87 8.435 15.768 49.469 1.00 0.00 H ATOM 2787 HE2 PHE B 87 10.408 17.216 49.843 1.00 0.00 H ATOM 2788 HZ PHE B 87 10.096 19.541 50.677 1.00 0.00 H ATOM 2789 HE1 PHE B 87 7.802 20.397 51.116 1.00 0.00 H ATOM 2790 HD1 PHE B 87 5.835 18.945 50.708 1.00 0.00 H ATOM 2791 H PHE B 87 3.851 14.920 48.920 1.00 0.00 H ATOM 2792 N PHE B 88 6.430 15.369 46.762 1.00 52.67 N ATOM 2793 CA PHE B 88 7.374 15.149 45.636 1.00 58.31 C ATOM 2794 C PHE B 88 8.472 16.202 45.452 1.00 64.89 C ATOM 2795 O PHE B 88 9.315 16.079 44.539 1.00 71.51 O ATOM 2796 CB PHE B 88 6.665 14.865 44.279 1.00 62.92 C ATOM 2797 CG PHE B 88 5.636 15.910 43.839 1.00 68.19 C ATOM 2798 CD1 PHE B 88 4.513 15.511 43.112 1.00 72.26 C ATOM 2799 CD2 PHE B 88 5.795 17.276 44.102 1.00 71.80 C ATOM 2800 CE1 PHE B 88 3.564 16.432 42.696 1.00 78.17 C ATOM 2801 CE2 PHE B 88 4.840 18.222 43.678 1.00 78.17 C ATOM 2802 CZ PHE B 88 3.730 17.800 42.976 1.00 81.45 C ATOM 2803 HA PHE B 88 7.892 14.246 45.959 1.00 0.00 H ATOM 2804 HB2 PHE B 88 7.431 14.803 43.506 1.00 0.00 H ATOM 2805 HB3 PHE B 88 6.155 13.905 44.361 1.00 0.00 H ATOM 2806 HD2 PHE B 88 6.676 17.615 44.646 1.00 0.00 H ATOM 2807 HE2 PHE B 88 4.978 19.280 43.903 1.00 0.00 H ATOM 2808 HZ PHE B 88 2.986 18.523 42.640 1.00 0.00 H ATOM 2809 HE1 PHE B 88 2.684 16.094 42.149 1.00 0.00 H ATOM 2810 HD1 PHE B 88 4.380 14.457 42.867 1.00 0.00 H ATOM 2811 H PHE B 88 5.960 14.537 47.171 1.00 0.00 H TER 2812 PHE B 88 HETATM 2813 CA CA A 1 -6.960 3.750 37.123 1.00 42.09 CA HETATM 2814 CA CA A 2 2.778 6.740 32.163 1.00 37.84 CA HETATM 2815 CA CA A 3 -6.187 -2.378 66.592 1.00 36.83 CA HETATM 2816 CA CA A 4 3.814 -5.899 70.889 1.00 38.21 CA HETATM 2817 O HOH 5 2.375 -14.266 30.653 1.00 27.17 O HETATM 2818 O HOH 6 -7.971 6.804 40.928 1.00 33.49 O HETATM 2819 O HOH 7 -6.216 5.738 37.399 1.00 40.24 O HETATM 2820 O HOH 8 14.795 0.533 41.292 1.00 51.58 O HETATM 2821 O HOH 9 16.318 2.367 60.717 1.00 47.00 O HETATM 2822 O HOH 10 -0.167 7.040 26.014 1.00 55.38 O HETATM 2823 O HOH 11 -0.680 8.772 40.298 1.00 48.24 O HETATM 2824 O HOH 12 9.183 -6.308 30.309 1.00 38.67 O HETATM 2825 O HOH 13 11.424 -14.845 39.767 1.00 35.88 O HETATM 2826 O HOH 14 0.340 -0.199 26.969 1.00 37.67 O HETATM 2827 O HOH 15 2.861 1.929 25.784 1.00 51.16 O HETATM 2828 O HOH 16 8.559 -8.316 27.277 1.00 52.06 O HETATM 2829 O HOH 17 2.428 -15.591 22.455 1.00 43.77 O HETATM 2830 O HOH 18 -7.356 -10.718 29.308 1.00 47.37 O HETATM 2831 O HOH 19 3.633 -15.311 33.698 1.00 54.70 O HETATM 2832 O HOH 20 -7.073 -4.706 30.847 1.00 65.33 O HETATM 2833 O HOH 21 8.076 -10.660 37.648 1.00 44.73 O HETATM 2834 O HOH 22 -2.203 -13.485 36.494 1.00 58.42 O HETATM 2835 O HOH 23 -7.651 -5.506 62.900 1.00 33.33 O HETATM 2836 O HOH 24 4.090 15.242 71.970 1.00 26.78 O HETATM 2837 O HOH 25 1.750 1.113 76.310 1.00 31.73 O HETATM 2838 O HOH 26 0.017 -10.669 75.751 1.00 59.85 O HETATM 2839 O HOH 27 9.772 0.223 72.349 1.00 45.34 O HETATM 2840 O HOH 28 4.243 15.590 69.027 1.00 51.85 O HETATM 2841 O HOH 29 -5.517 5.749 73.217 1.00 55.26 O HETATM 2842 O HOH 30 7.685 4.166 74.975 1.00 48.94 O HETATM 2843 O HOH 31 14.460 -3.256 68.521 1.00 54.02 O HETATM 2844 O HOH 32 -0.701 -7.935 63.110 1.00 38.61 O HETATM 2845 O HOH 33 1.769 -5.534 72.117 1.00 34.13 O HETATM 2846 O HOH 34 -8.409 -3.439 62.821 1.00 43.50 O HETATM 2847 O HOH 35 -4.733 2.384 61.020 1.00 38.14 O HETATM 2848 O HOH 36 3.782 13.695 65.940 1.00 57.74 O HETATM 2849 O HOH 37 5.145 12.826 41.619 1.00 75.62 O HETATM 2850 O HOH 38 0.227 -6.394 74.223 1.00 40.43 O HETATM 2851 O HOH 39 4.402 -1.504 77.288 1.00 62.32 O HETATM 2852 O HOH 40 16.127 -2.252 41.747 1.00 42.48 O HETATM 2853 O HOH 41 2.076 -11.840 75.591 1.00 56.65 O HETATM 2854 O HOH 42 3.891 -15.687 64.051 1.00 74.06 O HETATM 2855 O HOH 43 9.109 13.145 47.736 1.00 52.04 O HETATM 2856 O HOH 44 -10.387 4.225 66.102 1.00 44.41 O HETATM 2857 O HOH 45 9.202 11.530 65.079 1.00 42.62 O HETATM 2858 O HOH 46 -1.975 -8.594 58.016 1.00 50.49 O HETATM 2859 O HOH 47 17.130 4.938 48.743 1.00 64.08 O HETATM 2860 O HOH 48 9.445 19.385 45.439 1.00 57.23 O HETATM 2861 O HOH 49 -0.748 0.357 76.007 1.00 52.71 O HETATM 2862 O HOH 50 6.188 16.728 54.979 1.00 66.14 O HETATM 2863 O HOH 51 13.826 1.969 70.612 1.00 52.98 O HETATM 2864 C1 Z A 80 11.984 15.294 53.722 1.00 0.07 C HETATM 2865 N1 Z A 80 13.337 15.072 53.312 1.00 -0.26 N HETATM 2866 C4 Z A 80 14.452 15.029 54.212 1.00 0.08 C HETATM 2867 C3 Z A 80 14.298 15.220 55.588 1.00 0.05 C HETATM 2868 S1 Z A 80 12.782 15.508 56.272 1.00 -0.06 S HETATM 2869 C2 Z A 80 11.617 15.508 55.053 1.00 0.05 C HETATM 2870 C7 Z A 80 10.285 15.728 55.407 1.00 -0.06 C HETATM 2871 C6 Z A 80 9.290 15.738 54.436 1.00 -0.08 C HETATM 2872 C5 Z A 80 9.637 15.527 53.107 1.00 -0.08 C HETATM 2873 C17 Z A 80 10.968 15.307 52.760 1.00 -0.05 C HETATM 2874 H Z A 80 11.224 15.141 51.714 1.00 0.05 H HETATM 2875 H Z A 80 8.867 15.534 52.336 1.00 0.05 H HETATM 2876 H Z A 80 8.250 15.909 54.714 1.00 0.05 H HETATM 2877 H Z A 80 10.023 15.893 56.452 1.00 0.05 H HETATM 2878 C8 Z A 80 15.394 15.182 56.446 1.00 -0.06 C HETATM 2879 C9 Z A 80 16.675 14.952 55.966 1.00 -0.07 C HETATM 2880 C10 Z A 80 16.854 14.760 54.604 1.00 0.02 C HETATM 2881 C11 Z A 80 15.755 14.797 53.737 1.00 -0.03 C HETATM 2882 H Z A 80 15.913 14.643 52.670 1.00 0.05 H HETATM 2883 CL1 Z A 80 18.520 14.467 53.997 1.00 -0.08 CL HETATM 2884 H Z A 80 17.526 14.923 56.647 1.00 0.05 H HETATM 2885 H Z A 80 15.243 15.336 57.514 1.00 0.05 H HETATM 2886 C12 Z A 80 13.566 14.861 51.871 1.00 0.04 C HETATM 2887 C13 Z A 80 14.177 16.080 51.169 1.00 -0.05 C HETATM 2888 C14 Z A 80 13.163 17.201 50.936 1.00 -0.11 C HETATM 2889 N2 Z A 80 13.222 17.611 49.536 1.00 0.40 N HETATM 2890 C15 Z A 80 12.521 16.850 48.509 1.00 -0.13 C HETATM 2891 H Z A 80 12.899 15.828 48.495 1.00 -0.00 H HETATM 2892 H Z A 80 11.454 16.841 48.730 1.00 -0.00 H HETATM 2893 H Z A 80 12.688 17.314 47.537 1.00 -0.00 H HETATM 2894 C16 Z A 80 13.956 18.812 49.162 1.00 -0.13 C HETATM 2895 H Z A 80 13.525 19.673 49.673 1.00 -0.00 H HETATM 2896 H Z A 80 15.001 18.702 49.451 1.00 -0.00 H HETATM 2897 H Z A 80 13.889 18.956 48.084 1.00 -0.00 H HETATM 2898 H Z A 80 12.160 16.845 51.173 1.00 0.00 H HETATM 2899 H Z A 80 13.399 18.050 51.578 1.00 0.00 H HETATM 2900 H Z A 80 14.544 15.755 50.196 1.00 0.03 H HETATM 2901 H Z A 80 14.967 16.473 51.810 1.00 0.03 H HETATM 2902 H Z A 80 12.598 14.665 51.409 1.00 0.06 H HETATM 2903 H Z A 80 14.269 14.034 51.767 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 297 296 2814 CONECT 339 338 2814 CONECT 361 360 2814 CONECT 411 410 2814 CONECT 1012 1011 2813 CONECT 1035 1034 2813 CONECT 1054 1053 2813 CONECT 1070 1069 2813 CONECT 1407 1408 1423 1424 1425 CONECT 1423 1407 CONECT 1424 1407 CONECT 1425 1407 CONECT 1703 1702 2816 CONECT 1745 1744 2816 CONECT 1767 1766 2816 CONECT 1817 1816 2816 CONECT 2418 2417 2815 CONECT 2441 2440 2815 CONECT 2460 2459 2815 CONECT 2476 2475 2815 CONECT 2813 1012 1035 1054 1070 CONECT 2814 297 339 361 411 CONECT 2815 2418 2441 2460 2476 CONECT 2816 1703 1745 1767 1817 CONECT 2864 2865 2869 2873 CONECT 2865 2864 2866 2886 CONECT 2866 2865 2867 2881 CONECT 2867 2866 2868 2878 CONECT 2868 2867 2869 CONECT 2869 2864 2868 2870 CONECT 2870 2869 2871 2877 CONECT 2871 2870 2872 2876 CONECT 2872 2871 2873 2875 CONECT 2873 2864 2872 2874 CONECT 2874 2873 CONECT 2875 2872 CONECT 2876 2871 CONECT 2877 2870 CONECT 2878 2867 2879 2885 CONECT 2879 2878 2880 2884 CONECT 2880 2879 2881 2883 CONECT 2881 2866 2880 2882 CONECT 2882 2881 CONECT 2883 2880 CONECT 2884 2879 CONECT 2885 2878 CONECT 2886 2865 2887 2902 2903 CONECT 2887 2886 2888 2900 2901 CONECT 2888 2887 2889 2898 2899 CONECT 2889 2888 2890 2894 CONECT 2890 2889 2891 2892 2893 CONECT 2891 2890 CONECT 2892 2890 CONECT 2893 2890 CONECT 2894 2889 2895 2896 2897 CONECT 2895 2894 CONECT 2896 2894 CONECT 2897 2894 CONECT 2898 2888 CONECT 2899 2888 CONECT 2900 2887 CONECT 2901 2887 CONECT 2902 2886 CONECT 2903 2886 MASTER 0 0 0 0 0 0 0 0 2901 2 68 14 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3lk0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1mq1
RCSB PDB
PDBbind
91aa, >1MQ1_1|Chains... at 97%
1mwn
RCSB PDB
PDBbind
92aa, >1MWN_1|Chains... *
2m49
RCSB PDB
PDBbind
91aa, >2M49_2|Chains... at 97%
3cr4
RCSB PDB
PDBbind
92aa, >3CR4_1|Chain... at 95%
3cr5
RCSB PDB
PDBbind
92aa, >3CR5_1|Chain... at 95%
3gk1
RCSB PDB
PDBbind
92aa, >3GK1_1|Chain... at 95%
3gk2
RCSB PDB
PDBbind
92aa, >3GK2_1|Chain... at 95%
3gk4
RCSB PDB
PDBbind
92aa, >3GK4_1|Chain... at 95%
3hcm
RCSB PDB
PDBbind
92aa, >3HCM_1|Chains... at 97%
3iqq
RCSB PDB
PDBbind
92aa, >3IQQ_1|Chain... at 95%
3lk1
RCSB PDB
PDBbind
90aa, >3LK1_1|Chain... at 95%
3lle
RCSB PDB
PDBbind
92aa, >3LLE_1|Chains... at 95%
4fqo
RCSB PDB
PDBbind
89aa, >4FQO_1|Chain... at 95%
4xyn
RCSB PDB
PDBbind
92aa, >4XYN_2|Chains... at 97%
5dkn
RCSB PDB
PDBbind
92aa, >5DKN_1|Chain... at 95%
5dkr
RCSB PDB
PDBbind
92aa, >5DKR_1|Chains... at 95%
5er4
RCSB PDB
PDBbind
92aa, >5ER4_1|Chain... at 95%
5er5
RCSB PDB
PDBbind
92aa, >5ER5_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5lg3
RCSB PDB
PDBbind
Z80
Entry Information
PDB ID
3lk0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bovine Protein S100-B
Ligand Name
Z80
EC.Number
E.C.-.-.-.-
Resolution
2.04(Å)
Affinity (Kd/Ki/IC50)
Kd=696.9uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Int J High Throughput Screen Vol. 2010: pp. 109-126
Ligand Properties
Formula
C
1
7
H
2
0
ClN
2
S
Molecular Weight
319.872
Exact Mass
319.104
No. of atoms
41
No. of bonds
43
Polar Surface Area
32.98
LOGP Value
4.77 (
Computed with XLOGP3
)
3.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 3
Canonical SMILES
C[NH+](CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C
InChI String
InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1
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):
P02638
Entrez Gene ID
NCBI Entrez Gene ID:
525716
ASD
Information of known allosteric effects of PDB entries
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