Browse entries in the PDBbind-CN Database
HEADER 1MWN_COMPLEX COMPND 1MWN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 SER GLU LEU GLU LYS ALA MET VAL ALA LEU ILE ASP VAL SEQRES 2 A 91 PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS LYS SEQRES 3 A 91 LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN GLU SEQRES 4 A 91 LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU VAL SEQRES 5 A 91 VAL ASP LYS VAL MET GLU THR LEU ASP GLU ASP GLY ASP SEQRES 6 A 91 GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SER SEQRES 7 A 91 MET VAL THR THR ALA CYS HIS GLU PHE PHE GLU HIS GLU SEQRES 1 B 91 SER GLU LEU GLU LYS ALA MET VAL ALA LEU ILE ASP VAL SEQRES 2 B 91 PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS LYS SEQRES 3 B 91 LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN GLU SEQRES 4 B 91 LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU VAL SEQRES 5 B 91 VAL ASP LYS VAL MET GLU THR LEU ASP GLU ASP GLY ASP SEQRES 6 B 91 GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SER SEQRES 7 B 91 MET VAL THR THR ALA CYS HIS GLU PHE PHE GLU HIS GLU HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET THR A 187 217 ATOM 1 N SER A 1 49.399 -1.492 -6.784 1.00 0.00 N ATOM 2 CA SER A 1 50.568 -0.583 -6.967 1.00 0.00 C ATOM 3 C SER A 1 50.831 0.182 -5.667 1.00 0.00 C ATOM 4 O SER A 1 51.016 1.383 -5.667 1.00 0.00 O ATOM 5 CB SER A 1 50.274 0.411 -8.094 1.00 0.00 C ATOM 6 OG SER A 1 49.470 1.468 -7.588 1.00 0.00 O ATOM 7 HA SER A 1 51.447 -1.173 -7.225 1.00 0.00 H ATOM 8 HB2 SER A 1 49.744 -0.097 -8.899 1.00 0.00 H ATOM 9 HB3 SER A 1 51.211 0.816 -8.476 1.00 0.00 H ATOM 10 HG SER A 1 49.954 1.928 -6.857 1.00 0.00 H ATOM 11 HN3 SER A 1 48.560 -0.930 -6.537 1.00 0.00 H ATOM 12 HN2 SER A 1 49.603 -2.167 -6.020 1.00 0.00 H ATOM 13 HN1 SER A 1 49.223 -2.010 -7.668 1.00 0.00 H ATOM 14 N GLU A 2 50.856 -0.505 -4.558 1.00 0.00 N ATOM 15 CA GLU A 2 51.116 0.181 -3.261 1.00 0.00 C ATOM 16 C GLU A 2 52.494 0.838 -3.290 1.00 0.00 C ATOM 17 O GLU A 2 52.689 1.905 -2.749 1.00 0.00 O ATOM 18 CB GLU A 2 51.035 -0.828 -2.119 1.00 0.00 C ATOM 19 CG GLU A 2 49.572 -1.224 -1.931 1.00 0.00 C ATOM 20 CD GLU A 2 49.452 -2.236 -0.790 1.00 0.00 C ATOM 21 OE1 GLU A 2 50.482 -2.684 -0.313 1.00 0.00 O ATOM 22 OE2 GLU A 2 48.334 -2.539 -0.405 1.00 0.00 O ATOM 23 HA GLU A 2 50.363 0.953 -3.104 1.00 0.00 H ATOM 24 HB2 GLU A 2 51.627 -1.710 -2.363 1.00 0.00 H ATOM 25 HB3 GLU A 2 51.416 -0.379 -1.202 1.00 0.00 H ATOM 26 HG2 GLU A 2 48.985 -0.337 -1.692 1.00 0.00 H ATOM 27 HG3 GLU A 2 49.196 -1.670 -2.852 1.00 0.00 H ATOM 28 H GLU A 2 50.694 -1.532 -4.579 1.00 0.00 H ATOM 29 N LEU A 3 53.457 0.216 -3.921 1.00 0.00 N ATOM 30 CA LEU A 3 54.814 0.825 -3.980 1.00 0.00 C ATOM 31 C LEU A 3 54.676 2.292 -4.376 1.00 0.00 C ATOM 32 O LEU A 3 55.535 3.105 -4.100 1.00 0.00 O ATOM 33 CB LEU A 3 55.665 0.112 -5.043 1.00 0.00 C ATOM 34 CG LEU A 3 57.158 0.471 -4.846 1.00 0.00 C ATOM 35 CD1 LEU A 3 57.832 -0.566 -3.934 1.00 0.00 C ATOM 36 CD2 LEU A 3 57.882 0.503 -6.203 1.00 0.00 C ATOM 37 HA LEU A 3 55.293 0.730 -3.006 1.00 0.00 H ATOM 38 HB2 LEU A 3 55.536 -0.966 -4.947 1.00 0.00 H ATOM 39 HB3 LEU A 3 55.344 0.428 -6.036 1.00 0.00 H ATOM 40 HG LEU A 3 57.219 1.456 -4.384 1.00 0.00 H ATOM 41 HD21 LEU A 3 57.810 -0.477 -6.675 1.00 0.00 H ATOM 42 HD22 LEU A 3 57.417 1.252 -6.844 1.00 0.00 H ATOM 43 HD23 LEU A 3 58.931 0.757 -6.048 1.00 0.00 H ATOM 44 HD11 LEU A 3 57.334 -0.574 -2.965 1.00 0.00 H ATOM 45 HD12 LEU A 3 57.757 -1.553 -4.391 1.00 0.00 H ATOM 46 HD13 LEU A 3 58.882 -0.304 -3.802 1.00 0.00 H ATOM 47 H LEU A 3 53.275 -0.700 -4.379 1.00 0.00 H ATOM 48 N GLU A 4 53.599 2.628 -5.031 1.00 0.00 N ATOM 49 CA GLU A 4 53.400 4.038 -5.459 1.00 0.00 C ATOM 50 C GLU A 4 53.186 4.927 -4.233 1.00 0.00 C ATOM 51 O GLU A 4 53.935 5.850 -3.994 1.00 0.00 O ATOM 52 CB GLU A 4 52.178 4.108 -6.378 1.00 0.00 C ATOM 53 CG GLU A 4 51.961 5.548 -6.857 1.00 0.00 C ATOM 54 CD GLU A 4 50.753 5.598 -7.786 1.00 0.00 C ATOM 55 OE1 GLU A 4 50.271 4.540 -8.153 1.00 0.00 O ATOM 56 OE2 GLU A 4 50.332 6.693 -8.118 1.00 0.00 O ATOM 57 HA GLU A 4 54.281 4.390 -5.995 1.00 0.00 H ATOM 58 HB2 GLU A 4 52.338 3.461 -7.241 1.00 0.00 H ATOM 59 HB3 GLU A 4 51.296 3.773 -5.832 1.00 0.00 H ATOM 60 HG2 GLU A 4 51.786 6.195 -5.997 1.00 0.00 H ATOM 61 HG3 GLU A 4 52.846 5.890 -7.393 1.00 0.00 H ATOM 62 H GLU A 4 52.880 1.910 -5.254 1.00 0.00 H ATOM 63 N LYS A 5 52.177 4.656 -3.449 1.00 0.00 N ATOM 64 CA LYS A 5 51.935 5.494 -2.238 1.00 0.00 C ATOM 65 C LYS A 5 53.029 5.231 -1.206 1.00 0.00 C ATOM 66 O LYS A 5 53.421 6.112 -0.469 1.00 0.00 O ATOM 67 CB LYS A 5 50.548 5.184 -1.642 1.00 0.00 C ATOM 68 CG LYS A 5 50.513 3.772 -0.997 1.00 0.00 C ATOM 69 CD LYS A 5 50.662 3.872 0.530 1.00 0.00 C ATOM 70 CE LYS A 5 50.868 2.471 1.112 1.00 0.00 C ATOM 71 NZ LYS A 5 50.952 2.552 2.600 1.00 0.00 N ATOM 72 HA LYS A 5 51.959 6.546 -2.521 1.00 0.00 H ATOM 73 HB2 LYS A 5 50.314 5.928 -0.881 1.00 0.00 H ATOM 74 HB3 LYS A 5 49.802 5.231 -2.435 1.00 0.00 H ATOM 75 HG2 LYS A 5 49.563 3.293 -1.234 1.00 0.00 H ATOM 76 HG3 LYS A 5 51.331 3.174 -1.399 1.00 0.00 H ATOM 77 HD2 LYS A 5 51.522 4.497 0.772 1.00 0.00 H ATOM 78 HD3 LYS A 5 49.761 4.314 0.956 1.00 0.00 H ATOM 79 HE2 LYS A 5 51.792 2.047 0.719 1.00 0.00 H ATOM 80 HE3 LYS A 5 50.029 1.834 0.830 1.00 0.00 H ATOM 81 HZ1 LYS A 5 51.753 3.159 2.868 1.00 0.00 H ATOM 82 HZ2 LYS A 5 50.069 2.955 2.974 1.00 0.00 H ATOM 83 HZ3 LYS A 5 51.092 1.598 2.991 1.00 0.00 H ATOM 84 H LYS A 5 51.545 3.860 -3.668 1.00 0.00 H ATOM 85 N ALA A 6 53.526 4.027 -1.140 1.00 0.00 N ATOM 86 CA ALA A 6 54.593 3.727 -0.147 1.00 0.00 C ATOM 87 C ALA A 6 55.862 4.508 -0.496 1.00 0.00 C ATOM 88 O ALA A 6 56.527 5.040 0.369 1.00 0.00 O ATOM 89 CB ALA A 6 54.890 2.230 -0.151 1.00 0.00 C ATOM 90 HA ALA A 6 54.254 4.024 0.845 1.00 0.00 H ATOM 91 HB1 ALA A 6 53.986 1.681 0.111 1.00 0.00 H ATOM 92 HB2 ALA A 6 55.224 1.930 -1.144 1.00 0.00 H ATOM 93 HB3 ALA A 6 55.672 2.014 0.577 1.00 0.00 H ATOM 94 H ALA A 6 53.179 3.282 -1.777 1.00 0.00 H ATOM 95 N MET A 7 56.204 4.591 -1.755 1.00 0.00 N ATOM 96 CA MET A 7 57.427 5.353 -2.133 1.00 0.00 C ATOM 97 C MET A 7 57.267 6.806 -1.697 1.00 0.00 C ATOM 98 O MET A 7 58.191 7.419 -1.200 1.00 0.00 O ATOM 99 CB MET A 7 57.659 5.280 -3.648 1.00 0.00 C ATOM 100 CG MET A 7 58.983 5.973 -3.985 1.00 0.00 C ATOM 101 SD MET A 7 59.299 5.864 -5.768 1.00 0.00 S ATOM 102 CE MET A 7 59.652 4.089 -5.847 1.00 0.00 C ATOM 103 HA MET A 7 58.291 4.914 -1.634 1.00 0.00 H ATOM 104 HB2 MET A 7 57.702 4.237 -3.961 1.00 0.00 H ATOM 105 HB3 MET A 7 56.842 5.781 -4.167 1.00 0.00 H ATOM 106 HG2 MET A 7 59.794 5.487 -3.443 1.00 0.00 H ATOM 107 HG3 MET A 7 58.928 7.021 -3.691 1.00 0.00 H ATOM 108 HE1 MET A 7 60.509 3.862 -5.213 1.00 0.00 H ATOM 109 HE2 MET A 7 58.783 3.531 -5.499 1.00 0.00 H ATOM 110 HE3 MET A 7 59.876 3.810 -6.877 1.00 0.00 H ATOM 111 H MET A 7 55.627 4.129 -2.487 1.00 0.00 H ATOM 112 N VAL A 8 56.095 7.363 -1.861 1.00 0.00 N ATOM 113 CA VAL A 8 55.886 8.773 -1.439 1.00 0.00 C ATOM 114 C VAL A 8 56.161 8.863 0.052 1.00 0.00 C ATOM 115 O VAL A 8 56.767 9.798 0.537 1.00 0.00 O ATOM 116 CB VAL A 8 54.435 9.175 -1.702 1.00 0.00 C ATOM 117 CG1 VAL A 8 54.216 10.624 -1.269 1.00 0.00 C ATOM 118 CG2 VAL A 8 54.140 9.030 -3.190 1.00 0.00 C ATOM 119 HA VAL A 8 56.550 9.435 -1.995 1.00 0.00 H ATOM 120 HB VAL A 8 53.766 8.530 -1.133 1.00 0.00 H ATOM 121 HG11 VAL A 8 54.431 10.720 -0.205 1.00 0.00 H ATOM 122 HG12 VAL A 8 54.881 11.276 -1.836 1.00 0.00 H ATOM 123 HG13 VAL A 8 53.180 10.906 -1.458 1.00 0.00 H ATOM 124 HG21 VAL A 8 54.809 9.677 -3.757 1.00 0.00 H ATOM 125 HG22 VAL A 8 54.294 7.994 -3.490 1.00 0.00 H ATOM 126 HG23 VAL A 8 53.106 9.315 -3.384 1.00 0.00 H ATOM 127 H VAL A 8 55.314 6.823 -2.284 1.00 0.00 H ATOM 128 N ALA A 9 55.721 7.879 0.781 1.00 0.00 N ATOM 129 CA ALA A 9 55.952 7.884 2.248 1.00 0.00 C ATOM 130 C ALA A 9 57.457 7.848 2.526 1.00 0.00 C ATOM 131 O ALA A 9 57.963 8.600 3.332 1.00 0.00 O ATOM 132 CB ALA A 9 55.282 6.663 2.886 1.00 0.00 C ATOM 133 HA ALA A 9 55.523 8.790 2.676 1.00 0.00 H ATOM 134 HB1 ALA A 9 54.210 6.695 2.690 1.00 0.00 H ATOM 135 HB2 ALA A 9 55.704 5.754 2.458 1.00 0.00 H ATOM 136 HB3 ALA A 9 55.457 6.675 3.962 1.00 0.00 H ATOM 137 H ALA A 9 55.208 7.090 0.337 1.00 0.00 H ATOM 138 N LEU A 10 58.180 6.983 1.865 1.00 0.00 N ATOM 139 CA LEU A 10 59.652 6.914 2.107 1.00 0.00 C ATOM 140 C LEU A 10 60.297 8.261 1.754 1.00 0.00 C ATOM 141 O LEU A 10 61.164 8.739 2.459 1.00 0.00 O ATOM 142 CB LEU A 10 60.270 5.784 1.257 1.00 0.00 C ATOM 143 CG LEU A 10 60.313 4.476 2.063 1.00 0.00 C ATOM 144 CD1 LEU A 10 58.901 4.074 2.474 1.00 0.00 C ATOM 145 CD2 LEU A 10 60.930 3.368 1.209 1.00 0.00 C ATOM 146 HA LEU A 10 59.836 6.700 3.160 1.00 0.00 H ATOM 147 HB2 LEU A 10 59.667 5.636 0.361 1.00 0.00 H ATOM 148 HB3 LEU A 10 61.283 6.063 0.969 1.00 0.00 H ATOM 149 HG LEU A 10 60.918 4.627 2.957 1.00 0.00 H ATOM 150 HD21 LEU A 10 60.326 3.223 0.313 1.00 0.00 H ATOM 151 HD22 LEU A 10 61.943 3.652 0.924 1.00 0.00 H ATOM 152 HD23 LEU A 10 60.959 2.442 1.783 1.00 0.00 H ATOM 153 HD11 LEU A 10 58.465 4.862 3.088 1.00 0.00 H ATOM 154 HD12 LEU A 10 58.292 3.928 1.582 1.00 0.00 H ATOM 155 HD13 LEU A 10 58.940 3.146 3.045 1.00 0.00 H ATOM 156 H LEU A 10 57.733 6.347 1.175 1.00 0.00 H ATOM 157 N ILE A 11 59.887 8.880 0.678 1.00 0.00 N ATOM 158 CA ILE A 11 60.492 10.192 0.309 1.00 0.00 C ATOM 159 C ILE A 11 60.190 11.206 1.415 1.00 0.00 C ATOM 160 O ILE A 11 61.027 12.001 1.795 1.00 0.00 O ATOM 161 CB ILE A 11 59.906 10.668 -1.025 1.00 0.00 C ATOM 162 CG1 ILE A 11 60.362 9.712 -2.130 1.00 0.00 C ATOM 163 CG2 ILE A 11 60.415 12.080 -1.335 1.00 0.00 C ATOM 164 CD1 ILE A 11 59.590 9.994 -3.417 1.00 0.00 C ATOM 165 HA ILE A 11 61.572 10.090 0.200 1.00 0.00 H ATOM 166 HB ILE A 11 58.818 10.683 -0.967 1.00 0.00 H ATOM 167 HG12 ILE A 11 61.428 9.851 -2.310 1.00 0.00 H ATOM 168 HG13 ILE A 11 60.179 8.684 -1.817 1.00 0.00 H ATOM 169 HD11 ILE A 11 58.524 9.853 -3.238 1.00 0.00 H ATOM 170 HD12 ILE A 11 59.774 11.021 -3.732 1.00 0.00 H ATOM 171 HD13 ILE A 11 59.922 9.308 -4.196 1.00 0.00 H ATOM 172 HG21 ILE A 11 60.106 12.759 -0.540 1.00 0.00 H ATOM 173 HG22 ILE A 11 61.503 12.066 -1.401 1.00 0.00 H ATOM 174 HG23 ILE A 11 59.997 12.415 -2.284 1.00 0.00 H ATOM 175 H ILE A 11 59.144 8.460 0.083 1.00 0.00 H ATOM 176 N ASP A 12 59.001 11.179 1.948 1.00 0.00 N ATOM 177 CA ASP A 12 58.659 12.129 3.044 1.00 0.00 C ATOM 178 C ASP A 12 59.430 11.739 4.305 1.00 0.00 C ATOM 179 O ASP A 12 59.929 12.582 5.021 1.00 0.00 O ATOM 180 CB ASP A 12 57.156 12.088 3.322 1.00 0.00 C ATOM 181 CG ASP A 12 56.412 12.724 2.149 1.00 0.00 C ATOM 182 OD1 ASP A 12 56.992 13.576 1.500 1.00 0.00 O ATOM 183 OD2 ASP A 12 55.274 12.346 1.921 1.00 0.00 O ATOM 184 HA ASP A 12 58.933 13.141 2.745 1.00 0.00 H ATOM 185 HB2 ASP A 12 56.835 11.053 3.440 1.00 0.00 H ATOM 186 HB3 ASP A 12 56.938 12.641 4.236 1.00 0.00 H ATOM 187 H ASP A 12 58.293 10.497 1.609 1.00 0.00 H ATOM 188 N VAL A 13 59.544 10.464 4.573 1.00 0.00 N ATOM 189 CA VAL A 13 60.296 10.024 5.784 1.00 0.00 C ATOM 190 C VAL A 13 61.722 10.560 5.676 1.00 0.00 C ATOM 191 O VAL A 13 62.334 10.931 6.654 1.00 0.00 O ATOM 192 CB VAL A 13 60.319 8.485 5.859 1.00 0.00 C ATOM 193 CG1 VAL A 13 61.363 8.016 6.878 1.00 0.00 C ATOM 194 CG2 VAL A 13 58.949 7.968 6.305 1.00 0.00 C ATOM 195 HA VAL A 13 59.816 10.405 6.685 1.00 0.00 H ATOM 196 HB VAL A 13 60.568 8.099 4.871 1.00 0.00 H ATOM 197 HG11 VAL A 13 62.348 8.372 6.577 1.00 0.00 H ATOM 198 HG12 VAL A 13 61.115 8.416 7.861 1.00 0.00 H ATOM 199 HG13 VAL A 13 61.366 6.927 6.918 1.00 0.00 H ATOM 200 HG21 VAL A 13 58.711 8.374 7.288 1.00 0.00 H ATOM 201 HG22 VAL A 13 58.192 8.284 5.587 1.00 0.00 H ATOM 202 HG23 VAL A 13 58.972 6.879 6.356 1.00 0.00 H ATOM 203 H VAL A 13 59.111 9.758 3.943 1.00 0.00 H ATOM 204 N PHE A 14 62.253 10.602 4.493 1.00 0.00 N ATOM 205 CA PHE A 14 63.642 11.102 4.322 1.00 0.00 C ATOM 206 C PHE A 14 63.759 12.526 4.881 1.00 0.00 C ATOM 207 O PHE A 14 64.654 12.830 5.639 1.00 0.00 O ATOM 208 CB PHE A 14 63.971 11.113 2.829 1.00 0.00 C ATOM 209 CG PHE A 14 65.342 11.705 2.605 1.00 0.00 C ATOM 210 CD1 PHE A 14 66.470 11.084 3.157 1.00 0.00 C ATOM 211 CD2 PHE A 14 65.489 12.874 1.847 1.00 0.00 C ATOM 212 CE1 PHE A 14 67.739 11.630 2.949 1.00 0.00 C ATOM 213 CE2 PHE A 14 66.759 13.419 1.640 1.00 0.00 C ATOM 214 CZ PHE A 14 67.884 12.798 2.190 1.00 0.00 C ATOM 215 HA PHE A 14 64.336 10.455 4.859 1.00 0.00 H ATOM 216 HB2 PHE A 14 63.952 10.092 2.448 1.00 0.00 H ATOM 217 HB3 PHE A 14 63.229 11.711 2.300 1.00 0.00 H ATOM 218 HD2 PHE A 14 64.612 13.359 1.418 1.00 0.00 H ATOM 219 HE2 PHE A 14 66.872 14.328 1.050 1.00 0.00 H ATOM 220 HZ PHE A 14 68.875 13.223 2.028 1.00 0.00 H ATOM 221 HE1 PHE A 14 68.617 11.147 3.378 1.00 0.00 H ATOM 222 HD1 PHE A 14 66.358 10.175 3.748 1.00 0.00 H ATOM 223 H PHE A 14 61.708 10.286 3.666 1.00 0.00 H ATOM 224 N HIS A 15 62.868 13.398 4.510 1.00 0.00 N ATOM 225 CA HIS A 15 62.934 14.806 5.014 1.00 0.00 C ATOM 226 C HIS A 15 62.339 14.918 6.420 1.00 0.00 C ATOM 227 O HIS A 15 62.606 15.860 7.137 1.00 0.00 O ATOM 228 CB HIS A 15 62.155 15.722 4.068 1.00 0.00 C ATOM 229 CG HIS A 15 62.864 15.805 2.741 1.00 0.00 C ATOM 230 ND1 HIS A 15 62.174 15.948 1.549 1.00 0.00 N ATOM 231 CD2 HIS A 15 64.197 15.776 2.400 1.00 0.00 C ATOM 232 CE1 HIS A 15 63.080 15.998 0.557 1.00 0.00 C ATOM 233 NE2 HIS A 15 64.323 15.897 1.022 1.00 0.00 N ATOM 234 HA HIS A 15 63.981 15.105 5.055 1.00 0.00 H ATOM 235 HB2 HIS A 15 61.153 15.321 3.919 1.00 0.00 H ATOM 236 HB3 HIS A 15 62.085 16.718 4.504 1.00 0.00 H ATOM 237 HD2 HIS A 15 65.025 15.674 3.102 1.00 0.00 H ATOM 238 HE1 HIS A 15 62.828 16.108 -0.498 1.00 0.00 H ATOM 239 H HIS A 15 62.106 13.116 3.860 1.00 0.00 H ATOM 240 N GLN A 16 61.496 14.004 6.798 1.00 0.00 N ATOM 241 CA GLN A 16 60.845 14.102 8.138 1.00 0.00 C ATOM 242 C GLN A 16 61.872 14.106 9.277 1.00 0.00 C ATOM 243 O GLN A 16 61.729 14.853 10.224 1.00 0.00 O ATOM 244 CB GLN A 16 59.892 12.918 8.322 1.00 0.00 C ATOM 245 CG GLN A 16 59.047 13.104 9.589 1.00 0.00 C ATOM 246 CD GLN A 16 58.096 14.287 9.406 1.00 0.00 C ATOM 247 OE1 GLN A 16 57.215 14.248 8.569 1.00 0.00 O ATOM 248 NE2 GLN A 16 58.229 15.341 10.163 1.00 0.00 N ATOM 249 HA GLN A 16 60.300 15.045 8.177 1.00 0.00 H ATOM 250 HB2 GLN A 16 59.233 12.849 7.457 1.00 0.00 H ATOM 251 HB3 GLN A 16 60.472 11.999 8.409 1.00 0.00 H ATOM 252 HG2 GLN A 16 58.468 12.199 9.775 1.00 0.00 H ATOM 253 HG3 GLN A 16 59.704 13.295 10.438 1.00 0.00 H ATOM 254 HE22 GLN A 16 58.982 15.375 10.879 1.00 0.00 H ATOM 255 HE21 GLN A 16 57.582 16.147 10.050 1.00 0.00 H ATOM 256 H GLN A 16 61.275 13.206 6.168 1.00 0.00 H ATOM 257 N TYR A 17 62.888 13.274 9.222 1.00 0.00 N ATOM 258 CA TYR A 17 63.893 13.240 10.341 1.00 0.00 C ATOM 259 C TYR A 17 65.245 13.807 9.885 1.00 0.00 C ATOM 260 O TYR A 17 65.995 14.346 10.675 1.00 0.00 O ATOM 261 CB TYR A 17 64.081 11.795 10.816 1.00 0.00 C ATOM 262 CG TYR A 17 64.877 11.007 9.804 1.00 0.00 C ATOM 263 CD1 TYR A 17 66.272 10.963 9.900 1.00 0.00 C ATOM 264 CD2 TYR A 17 64.223 10.310 8.786 1.00 0.00 C ATOM 265 CE1 TYR A 17 67.013 10.219 8.976 1.00 0.00 C ATOM 266 CE2 TYR A 17 64.964 9.567 7.859 1.00 0.00 C ATOM 267 CZ TYR A 17 66.359 9.522 7.955 1.00 0.00 C ATOM 268 OH TYR A 17 67.090 8.786 7.045 1.00 0.00 O ATOM 269 HA TYR A 17 63.518 13.856 11.158 1.00 0.00 H ATOM 270 HB3 TYR A 17 63.104 11.329 10.946 1.00 0.00 H ATOM 271 HB2 TYR A 17 64.611 11.796 11.768 1.00 0.00 H ATOM 272 HD2 TYR A 17 63.136 10.344 8.713 1.00 0.00 H ATOM 273 HE2 TYR A 17 64.454 9.024 7.063 1.00 0.00 H ATOM 274 HE1 TYR A 17 68.100 10.182 9.052 1.00 0.00 H ATOM 275 HD1 TYR A 17 66.781 11.508 10.695 1.00 0.00 H ATOM 276 HH TYR A 17 68.054 8.864 7.258 1.00 0.00 H ATOM 277 H TYR A 17 62.997 12.639 8.405 1.00 0.00 H ATOM 278 N SER A 18 65.583 13.656 8.635 1.00 0.00 N ATOM 279 CA SER A 18 66.909 14.156 8.159 1.00 0.00 C ATOM 280 C SER A 18 67.016 15.671 8.325 1.00 0.00 C ATOM 281 O SER A 18 68.043 16.186 8.721 1.00 0.00 O ATOM 282 CB SER A 18 67.073 13.808 6.682 1.00 0.00 C ATOM 283 OG SER A 18 66.232 14.657 5.910 1.00 0.00 O ATOM 284 HA SER A 18 67.690 13.683 8.754 1.00 0.00 H ATOM 285 HB2 SER A 18 66.792 12.768 6.518 1.00 0.00 H ATOM 286 HB3 SER A 18 68.112 13.954 6.385 1.00 0.00 H ATOM 287 HG SER A 18 65.290 14.523 6.183 1.00 0.00 H ATOM 288 H SER A 18 64.932 13.189 7.971 1.00 0.00 H ATOM 289 N GLY A 19 65.976 16.394 8.021 1.00 0.00 N ATOM 290 CA GLY A 19 66.033 17.879 8.155 1.00 0.00 C ATOM 291 C GLY A 19 65.576 18.289 9.553 1.00 0.00 C ATOM 292 O GLY A 19 65.300 19.443 9.807 1.00 0.00 O ATOM 293 HA3 GLY A 19 65.379 18.335 7.412 1.00 0.00 H ATOM 294 HA2 GLY A 19 67.056 18.218 7.994 1.00 0.00 H ATOM 295 H GLY A 19 65.105 15.936 7.685 1.00 0.00 H ATOM 296 N ARG A 20 65.479 17.364 10.469 1.00 0.00 N ATOM 297 CA ARG A 20 65.025 17.751 11.829 1.00 0.00 C ATOM 298 C ARG A 20 66.096 18.605 12.510 1.00 0.00 C ATOM 299 O ARG A 20 65.800 19.597 13.146 1.00 0.00 O ATOM 300 CB ARG A 20 64.787 16.496 12.653 1.00 0.00 C ATOM 301 CG ARG A 20 64.108 16.867 13.969 1.00 0.00 C ATOM 302 CD ARG A 20 63.873 15.596 14.791 1.00 0.00 C ATOM 303 NE ARG A 20 63.022 15.913 15.987 1.00 0.00 N ATOM 304 CZ ARG A 20 63.364 16.832 16.851 1.00 0.00 C ATOM 305 NH1 ARG A 20 64.553 17.370 16.814 1.00 0.00 N ATOM 306 NH2 ARG A 20 62.532 17.172 17.796 1.00 0.00 N ATOM 307 HA ARG A 20 64.102 18.325 11.751 1.00 0.00 H ATOM 308 HB2 ARG A 20 64.148 15.812 12.095 1.00 0.00 H ATOM 309 HB3 ARG A 20 65.741 16.012 12.861 1.00 0.00 H ATOM 310 HG2 ARG A 20 64.746 17.551 14.529 1.00 0.00 H ATOM 311 HG3 ARG A 20 63.153 17.350 13.763 1.00 0.00 H ATOM 312 HD2 ARG A 20 64.831 15.198 15.124 1.00 0.00 H ATOM 313 HD3 ARG A 20 63.367 14.854 14.173 1.00 0.00 H ATOM 314 HE ARG A 20 62.137 15.387 16.132 1.00 0.00 H ATOM 315 HH12 ARG A 20 64.815 18.101 17.506 1.00 0.00 H ATOM 316 HH11 ARG A 20 65.238 17.068 16.092 1.00 0.00 H ATOM 317 HH22 ARG A 20 62.799 17.903 18.486 1.00 0.00 H ATOM 318 HH21 ARG A 20 61.601 16.712 17.860 1.00 0.00 H ATOM 319 H ARG A 20 65.715 16.375 10.251 1.00 0.00 H ATOM 320 N GLU A 21 67.341 18.229 12.383 1.00 0.00 N ATOM 321 CA GLU A 21 68.423 19.022 13.026 1.00 0.00 C ATOM 322 C GLU A 21 69.772 18.662 12.395 1.00 0.00 C ATOM 323 O GLU A 21 69.949 17.591 11.847 1.00 0.00 O ATOM 324 CB GLU A 21 68.439 18.711 14.529 1.00 0.00 C ATOM 325 CG GLU A 21 69.367 19.685 15.265 1.00 0.00 C ATOM 326 CD GLU A 21 68.803 21.104 15.175 1.00 0.00 C ATOM 327 OE1 GLU A 21 67.618 21.233 14.918 1.00 0.00 O ATOM 328 OE2 GLU A 21 69.567 22.036 15.366 1.00 0.00 O ATOM 329 HA GLU A 21 68.244 20.087 12.878 1.00 0.00 H ATOM 330 HB2 GLU A 21 67.429 18.807 14.927 1.00 0.00 H ATOM 331 HB3 GLU A 21 68.793 17.692 14.682 1.00 0.00 H ATOM 332 HG2 GLU A 21 69.444 19.391 16.312 1.00 0.00 H ATOM 333 HG3 GLU A 21 70.356 19.659 14.808 1.00 0.00 H ATOM 334 H GLU A 21 67.575 17.377 11.834 1.00 0.00 H ATOM 335 N GLY A 22 70.728 19.549 12.475 1.00 0.00 N ATOM 336 CA GLY A 22 72.068 19.267 11.891 1.00 0.00 C ATOM 337 C GLY A 22 72.040 19.486 10.377 1.00 0.00 C ATOM 338 O GLY A 22 71.280 20.284 9.865 1.00 0.00 O ATOM 339 HA3 GLY A 22 72.342 18.233 12.101 1.00 0.00 H ATOM 340 HA2 GLY A 22 72.804 19.935 12.338 1.00 0.00 H ATOM 341 H GLY A 22 70.552 20.458 12.950 1.00 0.00 H ATOM 342 N ASP A 23 72.877 18.785 9.658 1.00 0.00 N ATOM 343 CA ASP A 23 72.917 18.954 8.177 1.00 0.00 C ATOM 344 C ASP A 23 71.804 18.134 7.524 1.00 0.00 C ATOM 345 O ASP A 23 71.786 16.921 7.585 1.00 0.00 O ATOM 346 CB ASP A 23 74.271 18.481 7.644 1.00 0.00 C ATOM 347 CG ASP A 23 74.366 18.775 6.145 1.00 0.00 C ATOM 348 OD1 ASP A 23 73.340 19.072 5.553 1.00 0.00 O ATOM 349 OD2 ASP A 23 75.463 18.700 5.614 1.00 0.00 O ATOM 350 HA ASP A 23 72.774 20.008 7.938 1.00 0.00 H ATOM 351 HB2 ASP A 23 75.070 19.005 8.168 1.00 0.00 H ATOM 352 HB3 ASP A 23 74.372 17.408 7.810 1.00 0.00 H ATOM 353 H ASP A 23 73.517 18.108 10.120 1.00 0.00 H ATOM 354 N LYS A 24 70.881 18.798 6.889 1.00 0.00 N ATOM 355 CA LYS A 24 69.760 18.090 6.211 1.00 0.00 C ATOM 356 C LYS A 24 70.293 17.286 5.019 1.00 0.00 C ATOM 357 O LYS A 24 69.697 16.318 4.589 1.00 0.00 O ATOM 358 CB LYS A 24 68.750 19.135 5.722 1.00 0.00 C ATOM 359 CG LYS A 24 67.643 18.457 4.917 1.00 0.00 C ATOM 360 CD LYS A 24 66.597 19.496 4.520 1.00 0.00 C ATOM 361 CE LYS A 24 65.611 18.869 3.536 1.00 0.00 C ATOM 362 NZ LYS A 24 66.227 18.832 2.180 1.00 0.00 N ATOM 363 HA LYS A 24 69.280 17.403 6.908 1.00 0.00 H ATOM 364 HB2 LYS A 24 68.312 19.643 6.581 1.00 0.00 H ATOM 365 HB3 LYS A 24 69.260 19.863 5.092 1.00 0.00 H ATOM 366 HG2 LYS A 24 68.068 18.007 4.020 1.00 0.00 H ATOM 367 HG3 LYS A 24 67.174 17.682 5.523 1.00 0.00 H ATOM 368 HD2 LYS A 24 66.062 19.832 5.408 1.00 0.00 H ATOM 369 HD3 LYS A 24 67.089 20.347 4.050 1.00 0.00 H ATOM 370 HE2 LYS A 24 64.698 19.464 3.506 1.00 0.00 H ATOM 371 HE3 LYS A 24 65.372 17.855 3.856 1.00 0.00 H ATOM 372 HZ1 LYS A 24 66.454 19.801 1.877 1.00 0.00 H ATOM 373 HZ2 LYS A 24 67.098 18.264 2.211 1.00 0.00 H ATOM 374 HZ3 LYS A 24 65.558 18.405 1.508 1.00 0.00 H ATOM 375 H LYS A 24 70.927 19.836 6.855 1.00 0.00 H ATOM 376 N HIS A 25 71.387 17.706 4.460 1.00 0.00 N ATOM 377 CA HIS A 25 71.947 17.005 3.264 1.00 0.00 C ATOM 378 C HIS A 25 72.520 15.626 3.631 1.00 0.00 C ATOM 379 O HIS A 25 72.440 14.696 2.853 1.00 0.00 O ATOM 380 CB HIS A 25 73.059 17.862 2.656 1.00 0.00 C ATOM 381 CG HIS A 25 72.462 19.090 2.019 1.00 0.00 C ATOM 382 ND1 HIS A 25 72.250 20.264 2.731 1.00 0.00 N ATOM 383 CD2 HIS A 25 72.031 19.347 0.739 1.00 0.00 C ATOM 384 CE1 HIS A 25 71.715 21.162 1.882 1.00 0.00 C ATOM 385 NE2 HIS A 25 71.563 20.653 0.660 1.00 0.00 N ATOM 386 HA HIS A 25 71.138 16.857 2.548 1.00 0.00 H ATOM 387 HB2 HIS A 25 73.755 18.162 3.439 1.00 0.00 H ATOM 388 HB3 HIS A 25 73.591 17.284 1.901 1.00 0.00 H ATOM 389 HD2 HIS A 25 72.053 18.636 -0.087 1.00 0.00 H ATOM 390 HE1 HIS A 25 71.440 22.179 2.160 1.00 0.00 H ATOM 391 H HIS A 25 71.878 18.537 4.847 1.00 0.00 H ATOM 392 N LYS A 26 73.113 15.488 4.792 1.00 0.00 N ATOM 393 CA LYS A 26 73.710 14.170 5.195 1.00 0.00 C ATOM 394 C LYS A 26 73.215 13.785 6.587 1.00 0.00 C ATOM 395 O LYS A 26 72.816 14.623 7.372 1.00 0.00 O ATOM 396 CB LYS A 26 75.236 14.291 5.207 1.00 0.00 C ATOM 397 CG LYS A 26 75.657 15.397 6.179 1.00 0.00 C ATOM 398 CD LYS A 26 77.173 15.574 6.127 1.00 0.00 C ATOM 399 CE LYS A 26 77.597 16.630 7.146 1.00 0.00 C ATOM 400 NZ LYS A 26 79.080 16.768 7.129 1.00 0.00 N ATOM 401 HA LYS A 26 73.409 13.401 4.484 1.00 0.00 H ATOM 402 HB2 LYS A 26 75.673 13.344 5.524 1.00 0.00 H ATOM 403 HB3 LYS A 26 75.589 14.535 4.205 1.00 0.00 H ATOM 404 HG2 LYS A 26 75.172 16.332 5.897 1.00 0.00 H ATOM 405 HG3 LYS A 26 75.358 15.124 7.191 1.00 0.00 H ATOM 406 HD2 LYS A 26 77.658 14.627 6.362 1.00 0.00 H ATOM 407 HD3 LYS A 26 77.468 15.894 5.128 1.00 0.00 H ATOM 408 HE2 LYS A 26 77.271 16.327 8.141 1.00 0.00 H ATOM 409 HE3 LYS A 26 77.140 17.586 6.891 1.00 0.00 H ATOM 410 HZ1 LYS A 26 79.515 15.855 7.373 1.00 0.00 H ATOM 411 HZ2 LYS A 26 79.389 17.058 6.179 1.00 0.00 H ATOM 412 HZ3 LYS A 26 79.368 17.487 7.823 1.00 0.00 H ATOM 413 H LYS A 26 73.171 16.299 5.440 1.00 0.00 H ATOM 414 N LEU A 27 73.220 12.510 6.889 1.00 0.00 N ATOM 415 CA LEU A 27 72.729 12.040 8.222 1.00 0.00 C ATOM 416 C LEU A 27 73.901 11.651 9.116 1.00 0.00 C ATOM 417 O LEU A 27 74.746 10.861 8.747 1.00 0.00 O ATOM 418 CB LEU A 27 71.846 10.805 8.034 1.00 0.00 C ATOM 419 CG LEU A 27 70.627 11.160 7.186 1.00 0.00 C ATOM 420 CD1 LEU A 27 69.889 9.875 6.803 1.00 0.00 C ATOM 421 CD2 LEU A 27 69.681 12.082 7.977 1.00 0.00 C ATOM 422 HA LEU A 27 72.166 12.851 8.685 1.00 0.00 H ATOM 423 HB2 LEU A 27 72.419 10.024 7.534 1.00 0.00 H ATOM 424 HB3 LEU A 27 71.516 10.445 9.008 1.00 0.00 H ATOM 425 HG LEU A 27 70.955 11.680 6.286 1.00 0.00 H ATOM 426 HD21 LEU A 27 69.351 11.572 8.882 1.00 0.00 H ATOM 427 HD22 LEU A 27 70.209 12.997 8.246 1.00 0.00 H ATOM 428 HD23 LEU A 27 68.816 12.328 7.361 1.00 0.00 H ATOM 429 HD11 LEU A 27 70.557 9.230 6.232 1.00 0.00 H ATOM 430 HD12 LEU A 27 69.568 9.358 7.708 1.00 0.00 H ATOM 431 HD13 LEU A 27 69.018 10.125 6.197 1.00 0.00 H ATOM 432 H LEU A 27 73.569 11.818 6.195 1.00 0.00 H ATOM 433 N LYS A 28 73.929 12.174 10.310 1.00 0.00 N ATOM 434 CA LYS A 28 75.013 11.816 11.270 1.00 0.00 C ATOM 435 C LYS A 28 74.460 10.782 12.248 1.00 0.00 C ATOM 436 O LYS A 28 73.283 10.770 12.549 1.00 0.00 O ATOM 437 CB LYS A 28 75.473 13.058 12.043 1.00 0.00 C ATOM 438 CG LYS A 28 76.428 12.626 13.163 1.00 0.00 C ATOM 439 CD LYS A 28 77.231 13.820 13.677 1.00 0.00 C ATOM 440 CE LYS A 28 76.284 14.885 14.229 1.00 0.00 C ATOM 441 NZ LYS A 28 77.056 15.845 15.057 1.00 0.00 N ATOM 442 HA LYS A 28 75.868 11.412 10.727 1.00 0.00 H ATOM 443 HB2 LYS A 28 75.988 13.740 11.366 1.00 0.00 H ATOM 444 HB3 LYS A 28 74.608 13.561 12.474 1.00 0.00 H ATOM 445 HG2 LYS A 28 75.849 12.203 13.984 1.00 0.00 H ATOM 446 HG3 LYS A 28 77.114 11.872 12.778 1.00 0.00 H ATOM 447 HD2 LYS A 28 77.904 13.490 14.468 1.00 0.00 H ATOM 448 HD3 LYS A 28 77.814 14.243 12.859 1.00 0.00 H ATOM 449 HE2 LYS A 28 75.518 14.409 14.841 1.00 0.00 H ATOM 450 HE3 LYS A 28 75.810 15.415 13.403 1.00 0.00 H ATOM 451 HZ1 LYS A 28 77.507 15.337 15.844 1.00 0.00 H ATOM 452 HZ2 LYS A 28 77.786 16.297 14.471 1.00 0.00 H ATOM 453 HZ3 LYS A 28 76.413 16.571 15.434 1.00 0.00 H ATOM 454 H LYS A 28 73.189 12.847 10.596 1.00 0.00 H ATOM 455 N LYS A 29 75.298 9.908 12.728 1.00 0.00 N ATOM 456 CA LYS A 29 74.834 8.851 13.678 1.00 0.00 C ATOM 457 C LYS A 29 73.832 9.419 14.690 1.00 0.00 C ATOM 458 O LYS A 29 72.851 8.779 15.012 1.00 0.00 O ATOM 459 CB LYS A 29 76.056 8.285 14.408 1.00 0.00 C ATOM 460 CG LYS A 29 76.800 9.425 15.119 1.00 0.00 C ATOM 461 CD LYS A 29 78.159 8.938 15.651 1.00 0.00 C ATOM 462 CE LYS A 29 77.966 8.236 16.993 1.00 0.00 C ATOM 463 NZ LYS A 29 79.291 7.809 17.529 1.00 0.00 N ATOM 464 HA LYS A 29 74.328 8.063 13.120 1.00 0.00 H ATOM 465 HB2 LYS A 29 75.732 7.548 15.143 1.00 0.00 H ATOM 466 HB3 LYS A 29 76.722 7.809 13.688 1.00 0.00 H ATOM 467 HG2 LYS A 29 76.963 10.241 14.415 1.00 0.00 H ATOM 468 HG3 LYS A 29 76.196 9.782 15.953 1.00 0.00 H ATOM 469 HD2 LYS A 29 78.599 8.241 14.937 1.00 0.00 H ATOM 470 HD3 LYS A 29 78.824 9.792 15.781 1.00 0.00 H ATOM 471 HE2 LYS A 29 77.330 7.361 16.857 1.00 0.00 H ATOM 472 HE3 LYS A 29 77.493 8.921 17.697 1.00 0.00 H ATOM 473 HZ1 LYS A 29 79.741 7.155 16.857 1.00 0.00 H ATOM 474 HZ2 LYS A 29 79.897 8.644 17.659 1.00 0.00 H ATOM 475 HZ3 LYS A 29 79.156 7.331 18.443 1.00 0.00 H ATOM 476 H LYS A 29 76.299 9.946 12.448 1.00 0.00 H ATOM 477 N SER A 30 74.050 10.601 15.195 1.00 0.00 N ATOM 478 CA SER A 30 73.080 11.167 16.182 1.00 0.00 C ATOM 479 C SER A 30 71.690 11.329 15.543 1.00 0.00 C ATOM 480 O SER A 30 70.684 10.997 16.141 1.00 0.00 O ATOM 481 CB SER A 30 73.580 12.530 16.670 1.00 0.00 C ATOM 482 OG SER A 30 74.824 12.361 17.335 1.00 0.00 O ATOM 483 HA SER A 30 73.000 10.480 17.025 1.00 0.00 H ATOM 484 HB2 SER A 30 72.853 12.960 17.359 1.00 0.00 H ATOM 485 HB3 SER A 30 73.709 13.197 15.818 1.00 0.00 H ATOM 486 HG SER A 30 75.150 13.241 17.652 1.00 0.00 H ATOM 487 H SER A 30 74.891 11.145 14.914 1.00 0.00 H ATOM 488 N GLU A 31 71.621 11.830 14.338 1.00 0.00 N ATOM 489 CA GLU A 31 70.289 12.004 13.683 1.00 0.00 C ATOM 490 C GLU A 31 69.722 10.629 13.342 1.00 0.00 C ATOM 491 O GLU A 31 68.542 10.378 13.485 1.00 0.00 O ATOM 492 CB GLU A 31 70.438 12.828 12.403 1.00 0.00 C ATOM 493 CG GLU A 31 70.998 14.204 12.755 1.00 0.00 C ATOM 494 CD GLU A 31 71.205 15.013 11.475 1.00 0.00 C ATOM 495 OE1 GLU A 31 70.752 14.568 10.433 1.00 0.00 O ATOM 496 OE2 GLU A 31 71.814 16.064 11.555 1.00 0.00 O ATOM 497 HA GLU A 31 69.615 12.527 14.362 1.00 0.00 H ATOM 498 HB2 GLU A 31 71.119 12.321 11.720 1.00 0.00 H ATOM 499 HB3 GLU A 31 69.464 12.941 11.926 1.00 0.00 H ATOM 500 HG2 GLU A 31 70.297 14.726 13.406 1.00 0.00 H ATOM 501 HG3 GLU A 31 71.952 14.088 13.270 1.00 0.00 H ATOM 502 H GLU A 31 72.489 12.106 13.837 1.00 0.00 H ATOM 503 N LEU A 32 70.557 9.735 12.885 1.00 0.00 N ATOM 504 CA LEU A 32 70.065 8.376 12.535 1.00 0.00 C ATOM 505 C LEU A 32 69.536 7.687 13.791 1.00 0.00 C ATOM 506 O LEU A 32 68.551 6.983 13.750 1.00 0.00 O ATOM 507 CB LEU A 32 71.187 7.524 11.936 1.00 0.00 C ATOM 508 CG LEU A 32 70.581 6.255 11.290 1.00 0.00 C ATOM 509 CD1 LEU A 32 70.204 6.533 9.836 1.00 0.00 C ATOM 510 CD2 LEU A 32 71.595 5.109 11.341 1.00 0.00 C ATOM 511 HA LEU A 32 69.270 8.480 11.796 1.00 0.00 H ATOM 512 HB2 LEU A 32 71.717 8.101 11.178 1.00 0.00 H ATOM 513 HB3 LEU A 32 71.884 7.235 12.723 1.00 0.00 H ATOM 514 HG LEU A 32 69.686 5.974 11.846 1.00 0.00 H ATOM 515 HD21 LEU A 32 72.494 5.396 10.796 1.00 0.00 H ATOM 516 HD22 LEU A 32 71.850 4.898 12.379 1.00 0.00 H ATOM 517 HD23 LEU A 32 71.160 4.220 10.884 1.00 0.00 H ATOM 518 HD11 LEU A 32 69.470 7.338 9.800 1.00 0.00 H ATOM 519 HD12 LEU A 32 71.095 6.826 9.281 1.00 0.00 H ATOM 520 HD13 LEU A 32 69.779 5.632 9.394 1.00 0.00 H ATOM 521 H LEU A 32 71.563 9.973 12.766 1.00 0.00 H ATOM 522 N LYS A 33 70.173 7.878 14.913 1.00 0.00 N ATOM 523 CA LYS A 33 69.670 7.219 16.143 1.00 0.00 C ATOM 524 C LYS A 33 68.218 7.630 16.328 1.00 0.00 C ATOM 525 O LYS A 33 67.373 6.840 16.700 1.00 0.00 O ATOM 526 CB LYS A 33 70.474 7.699 17.349 1.00 0.00 C ATOM 527 CG LYS A 33 69.950 7.028 18.624 1.00 0.00 C ATOM 528 CD LYS A 33 70.745 7.527 19.830 1.00 0.00 C ATOM 529 CE LYS A 33 70.227 6.838 21.096 1.00 0.00 C ATOM 530 NZ LYS A 33 68.819 7.263 21.354 1.00 0.00 N ATOM 531 HA LYS A 33 69.764 6.137 16.056 1.00 0.00 H ATOM 532 HB2 LYS A 33 71.524 7.442 17.210 1.00 0.00 H ATOM 533 HB3 LYS A 33 70.376 8.781 17.442 1.00 0.00 H ATOM 534 HG2 LYS A 33 68.896 7.274 18.757 1.00 0.00 H ATOM 535 HG3 LYS A 33 70.062 5.947 18.538 1.00 0.00 H ATOM 536 HD2 LYS A 33 71.801 7.293 19.693 1.00 0.00 H ATOM 537 HD3 LYS A 33 70.623 8.606 19.926 1.00 0.00 H ATOM 538 HE2 LYS A 33 70.852 7.118 21.944 1.00 0.00 H ATOM 539 HE3 LYS A 33 70.262 5.757 20.962 1.00 0.00 H ATOM 540 HZ1 LYS A 33 68.788 8.295 21.483 1.00 0.00 H ATOM 541 HZ2 LYS A 33 68.223 6.995 20.545 1.00 0.00 H ATOM 542 HZ3 LYS A 33 68.469 6.794 22.214 1.00 0.00 H ATOM 543 H LYS A 33 71.019 8.482 14.945 1.00 0.00 H ATOM 544 N GLU A 34 67.920 8.867 16.065 1.00 0.00 N ATOM 545 CA GLU A 34 66.519 9.322 16.216 1.00 0.00 C ATOM 546 C GLU A 34 65.666 8.615 15.170 1.00 0.00 C ATOM 547 O GLU A 34 64.566 8.190 15.442 1.00 0.00 O ATOM 548 CB GLU A 34 66.439 10.834 16.016 1.00 0.00 C ATOM 549 CG GLU A 34 64.985 11.288 16.178 1.00 0.00 C ATOM 550 CD GLU A 34 64.924 12.815 16.216 1.00 0.00 C ATOM 551 OE1 GLU A 34 65.977 13.430 16.206 1.00 0.00 O ATOM 552 OE2 GLU A 34 63.825 13.343 16.260 1.00 0.00 O ATOM 553 HA GLU A 34 66.156 9.084 17.216 1.00 0.00 H ATOM 554 HB2 GLU A 34 67.062 11.334 16.758 1.00 0.00 H ATOM 555 HB3 GLU A 34 66.792 11.089 15.017 1.00 0.00 H ATOM 556 HG2 GLU A 34 64.395 10.922 15.338 1.00 0.00 H ATOM 557 HG3 GLU A 34 64.581 10.886 17.107 1.00 0.00 H ATOM 558 H GLU A 34 68.657 9.530 15.752 1.00 0.00 H ATOM 559 N LEU A 35 66.175 8.469 13.974 1.00 0.00 N ATOM 560 CA LEU A 35 65.398 7.778 12.910 1.00 0.00 C ATOM 561 C LEU A 35 65.088 6.347 13.354 1.00 0.00 C ATOM 562 O LEU A 35 63.967 5.886 13.263 1.00 0.00 O ATOM 563 CB LEU A 35 66.258 7.764 11.637 1.00 0.00 C ATOM 564 CG LEU A 35 65.614 6.941 10.503 1.00 0.00 C ATOM 565 CD1 LEU A 35 65.734 5.417 10.761 1.00 0.00 C ATOM 566 CD2 LEU A 35 64.135 7.337 10.338 1.00 0.00 C ATOM 567 HA LEU A 35 64.456 8.292 12.721 1.00 0.00 H ATOM 568 HB2 LEU A 35 66.392 8.790 11.293 1.00 0.00 H ATOM 569 HB3 LEU A 35 67.230 7.332 11.875 1.00 0.00 H ATOM 570 HG LEU A 35 66.153 7.164 9.582 1.00 0.00 H ATOM 571 HD21 LEU A 35 63.602 7.143 11.269 1.00 0.00 H ATOM 572 HD22 LEU A 35 64.069 8.397 10.094 1.00 0.00 H ATOM 573 HD23 LEU A 35 63.690 6.750 9.535 1.00 0.00 H ATOM 574 HD11 LEU A 35 66.787 5.143 10.829 1.00 0.00 H ATOM 575 HD12 LEU A 35 65.231 5.167 11.695 1.00 0.00 H ATOM 576 HD13 LEU A 35 65.268 4.873 9.939 1.00 0.00 H ATOM 577 H LEU A 35 67.125 8.837 13.766 1.00 0.00 H ATOM 578 N ILE A 36 66.076 5.633 13.805 1.00 0.00 N ATOM 579 CA ILE A 36 65.843 4.225 14.226 1.00 0.00 C ATOM 580 C ILE A 36 64.931 4.192 15.464 1.00 0.00 C ATOM 581 O ILE A 36 64.036 3.381 15.562 1.00 0.00 O ATOM 582 CB ILE A 36 67.194 3.572 14.561 1.00 0.00 C ATOM 583 CG1 ILE A 36 68.152 3.737 13.382 1.00 0.00 C ATOM 584 CG2 ILE A 36 66.991 2.076 14.807 1.00 0.00 C ATOM 585 CD1 ILE A 36 69.559 3.314 13.810 1.00 0.00 C ATOM 586 HA ILE A 36 65.359 3.678 13.417 1.00 0.00 H ATOM 587 HB ILE A 36 67.606 4.050 15.450 1.00 0.00 H ATOM 588 HG12 ILE A 36 67.820 3.112 12.553 1.00 0.00 H ATOM 589 HG13 ILE A 36 68.165 4.780 13.067 1.00 0.00 H ATOM 590 HD11 ILE A 36 69.889 3.940 14.639 1.00 0.00 H ATOM 591 HD12 ILE A 36 69.543 2.271 14.125 1.00 0.00 H ATOM 592 HD13 ILE A 36 70.244 3.431 12.970 1.00 0.00 H ATOM 593 HG21 ILE A 36 66.303 1.936 15.641 1.00 0.00 H ATOM 594 HG22 ILE A 36 66.576 1.615 13.911 1.00 0.00 H ATOM 595 HG23 ILE A 36 67.950 1.615 15.044 1.00 0.00 H ATOM 596 H ILE A 36 67.028 6.045 13.872 1.00 0.00 H ATOM 597 N ASN A 37 65.163 5.049 16.421 1.00 0.00 N ATOM 598 CA ASN A 37 64.321 5.038 17.656 1.00 0.00 C ATOM 599 C ASN A 37 62.987 5.765 17.439 1.00 0.00 C ATOM 600 O ASN A 37 62.036 5.540 18.161 1.00 0.00 O ATOM 601 CB ASN A 37 65.089 5.714 18.793 1.00 0.00 C ATOM 602 CG ASN A 37 64.219 5.767 20.053 1.00 0.00 C ATOM 603 OD1 ASN A 37 63.251 5.042 20.169 1.00 0.00 O ATOM 604 ND2 ASN A 37 64.524 6.601 21.010 1.00 0.00 N ATOM 605 HA ASN A 37 64.101 4.001 17.908 1.00 0.00 H ATOM 606 HB2 ASN A 37 65.996 5.147 19.004 1.00 0.00 H ATOM 607 HB3 ASN A 37 65.357 6.728 18.496 1.00 0.00 H ATOM 608 HD22 ASN A 37 65.352 7.223 20.914 1.00 0.00 H ATOM 609 HD21 ASN A 37 63.939 6.644 21.869 1.00 0.00 H ATOM 610 H ASN A 37 65.934 5.740 16.324 1.00 0.00 H ATOM 611 N ASN A 38 62.908 6.657 16.483 1.00 0.00 N ATOM 612 CA ASN A 38 61.628 7.413 16.278 1.00 0.00 C ATOM 613 C ASN A 38 60.690 6.672 15.315 1.00 0.00 C ATOM 614 O ASN A 38 59.485 6.818 15.395 1.00 0.00 O ATOM 615 CB ASN A 38 61.937 8.800 15.707 1.00 0.00 C ATOM 616 CG ASN A 38 60.631 9.571 15.502 1.00 0.00 C ATOM 617 OD1 ASN A 38 60.308 10.461 16.262 1.00 0.00 O ATOM 618 ND2 ASN A 38 59.863 9.258 14.498 1.00 0.00 N ATOM 619 HA ASN A 38 61.132 7.503 17.244 1.00 0.00 H ATOM 620 HB2 ASN A 38 62.576 9.345 16.402 1.00 0.00 H ATOM 621 HB3 ASN A 38 62.450 8.694 14.751 1.00 0.00 H ATOM 622 HD22 ASN A 38 60.142 8.495 13.848 1.00 0.00 H ATOM 623 HD21 ASN A 38 58.971 9.771 14.346 1.00 0.00 H ATOM 624 H ASN A 38 63.728 6.840 15.870 1.00 0.00 H ATOM 625 N GLU A 39 61.214 5.877 14.410 1.00 0.00 N ATOM 626 CA GLU A 39 60.328 5.135 13.455 1.00 0.00 C ATOM 627 C GLU A 39 60.200 3.685 13.923 1.00 0.00 C ATOM 628 O GLU A 39 59.227 3.016 13.635 1.00 0.00 O ATOM 629 CB GLU A 39 60.948 5.169 12.043 1.00 0.00 C ATOM 630 CG GLU A 39 60.553 6.460 11.318 1.00 0.00 C ATOM 631 CD GLU A 39 61.196 7.665 12.003 1.00 0.00 C ATOM 632 OE1 GLU A 39 62.096 7.459 12.798 1.00 0.00 O ATOM 633 OE2 GLU A 39 60.775 8.776 11.720 1.00 0.00 O ATOM 634 HA GLU A 39 59.344 5.602 13.425 1.00 0.00 H ATOM 635 HB2 GLU A 39 62.034 5.121 12.126 1.00 0.00 H ATOM 636 HB3 GLU A 39 60.590 4.312 11.472 1.00 0.00 H ATOM 637 HG2 GLU A 39 60.891 6.410 10.283 1.00 0.00 H ATOM 638 HG3 GLU A 39 59.469 6.569 11.340 1.00 0.00 H ATOM 639 H GLU A 39 62.246 5.762 14.356 1.00 0.00 H ATOM 640 N LEU A 40 61.172 3.208 14.658 1.00 0.00 N ATOM 641 CA LEU A 40 61.133 1.803 15.177 1.00 0.00 C ATOM 642 C LEU A 40 61.266 1.855 16.699 1.00 0.00 C ATOM 643 O LEU A 40 62.045 1.137 17.288 1.00 0.00 O ATOM 644 CB LEU A 40 62.300 0.988 14.590 1.00 0.00 C ATOM 645 CG LEU A 40 62.451 1.271 13.086 1.00 0.00 C ATOM 646 CD1 LEU A 40 63.724 0.592 12.576 1.00 0.00 C ATOM 647 CD2 LEU A 40 61.233 0.728 12.324 1.00 0.00 C ATOM 648 HA LEU A 40 60.196 1.327 14.889 1.00 0.00 H ATOM 649 HB2 LEU A 40 63.223 1.262 15.101 1.00 0.00 H ATOM 650 HB3 LEU A 40 62.106 -0.074 14.738 1.00 0.00 H ATOM 651 HG LEU A 40 62.516 2.347 12.923 1.00 0.00 H ATOM 652 HD21 LEU A 40 61.158 -0.348 12.481 1.00 0.00 H ATOM 653 HD22 LEU A 40 60.329 1.214 12.692 1.00 0.00 H ATOM 654 HD23 LEU A 40 61.350 0.934 11.260 1.00 0.00 H ATOM 655 HD11 LEU A 40 64.586 0.988 13.113 1.00 0.00 H ATOM 656 HD12 LEU A 40 63.653 -0.483 12.743 1.00 0.00 H ATOM 657 HD13 LEU A 40 63.837 0.789 11.510 1.00 0.00 H ATOM 658 H LEU A 40 61.986 3.815 14.886 1.00 0.00 H ATOM 659 N SER A 41 60.524 2.719 17.336 1.00 0.00 N ATOM 660 CA SER A 41 60.618 2.848 18.820 1.00 0.00 C ATOM 661 C SER A 41 60.668 1.468 19.481 1.00 0.00 C ATOM 662 O SER A 41 61.725 0.990 19.844 1.00 0.00 O ATOM 663 CB SER A 41 59.398 3.612 19.327 1.00 0.00 C ATOM 664 OG SER A 41 59.507 3.807 20.736 1.00 0.00 O ATOM 665 HA SER A 41 61.532 3.385 19.074 1.00 0.00 H ATOM 666 HB2 SER A 41 58.495 3.041 19.108 1.00 0.00 H ATOM 667 HB3 SER A 41 59.344 4.580 18.830 1.00 0.00 H ATOM 668 HG SER A 41 59.556 2.927 21.187 1.00 0.00 H ATOM 669 H SER A 41 59.863 3.322 16.806 1.00 0.00 H ATOM 670 N HIS A 42 59.534 0.830 19.649 1.00 0.00 N ATOM 671 CA HIS A 42 59.502 -0.524 20.299 1.00 0.00 C ATOM 672 C HIS A 42 58.853 -1.541 19.356 1.00 0.00 C ATOM 673 O HIS A 42 58.474 -2.620 19.765 1.00 0.00 O ATOM 674 CB HIS A 42 58.682 -0.444 21.590 1.00 0.00 C ATOM 675 CG HIS A 42 59.284 0.589 22.501 1.00 0.00 C ATOM 676 ND1 HIS A 42 58.893 1.921 22.469 1.00 0.00 N ATOM 677 CD2 HIS A 42 60.256 0.508 23.468 1.00 0.00 C ATOM 678 CE1 HIS A 42 59.619 2.579 23.389 1.00 0.00 C ATOM 679 NE2 HIS A 42 60.462 1.765 24.022 1.00 0.00 N ATOM 680 HA HIS A 42 60.521 -0.839 20.522 1.00 0.00 H ATOM 681 HB2 HIS A 42 57.655 -0.166 21.352 1.00 0.00 H ATOM 682 HB3 HIS A 42 58.688 -1.415 22.086 1.00 0.00 H ATOM 683 HD2 HIS A 42 60.784 -0.401 23.756 1.00 0.00 H ATOM 684 HE1 HIS A 42 59.529 3.646 23.592 1.00 0.00 H ATOM 685 H HIS A 42 58.646 1.267 19.328 1.00 0.00 H ATOM 686 N PHE A 43 58.708 -1.209 18.104 1.00 0.00 N ATOM 687 CA PHE A 43 58.066 -2.163 17.156 1.00 0.00 C ATOM 688 C PHE A 43 58.979 -3.376 16.931 1.00 0.00 C ATOM 689 O PHE A 43 58.519 -4.498 16.845 1.00 0.00 O ATOM 690 CB PHE A 43 57.811 -1.470 15.816 1.00 0.00 C ATOM 691 CG PHE A 43 56.715 -0.440 15.964 1.00 0.00 C ATOM 692 CD1 PHE A 43 55.375 -0.813 15.809 1.00 0.00 C ATOM 693 CD2 PHE A 43 57.041 0.892 16.252 1.00 0.00 C ATOM 694 CE1 PHE A 43 54.362 0.143 15.941 1.00 0.00 C ATOM 695 CE2 PHE A 43 56.027 1.851 16.382 1.00 0.00 C ATOM 696 CZ PHE A 43 54.686 1.474 16.227 1.00 0.00 C ATOM 697 HA PHE A 43 57.120 -2.497 17.582 1.00 0.00 H ATOM 698 HB2 PHE A 43 58.726 -0.979 15.484 1.00 0.00 H ATOM 699 HB3 PHE A 43 57.511 -2.213 15.077 1.00 0.00 H ATOM 700 HD2 PHE A 43 58.084 1.183 16.375 1.00 0.00 H ATOM 701 HE2 PHE A 43 56.281 2.888 16.603 1.00 0.00 H ATOM 702 HZ PHE A 43 53.896 2.217 16.329 1.00 0.00 H ATOM 703 HE1 PHE A 43 53.319 -0.149 15.821 1.00 0.00 H ATOM 704 HD1 PHE A 43 55.120 -1.849 15.585 1.00 0.00 H ATOM 705 H PHE A 43 59.039 -0.282 17.768 1.00 0.00 H ATOM 706 N LEU A 44 60.267 -3.170 16.823 1.00 0.00 N ATOM 707 CA LEU A 44 61.185 -4.325 16.596 1.00 0.00 C ATOM 708 C LEU A 44 62.601 -3.971 17.075 1.00 0.00 C ATOM 709 O LEU A 44 63.322 -4.812 17.575 1.00 0.00 O ATOM 710 CB LEU A 44 61.205 -4.728 15.093 1.00 0.00 C ATOM 711 CG LEU A 44 61.006 -3.506 14.141 1.00 0.00 C ATOM 712 CD1 LEU A 44 62.354 -2.863 13.783 1.00 0.00 C ATOM 713 CD2 LEU A 44 60.338 -3.968 12.836 1.00 0.00 C ATOM 714 HA LEU A 44 60.820 -5.177 17.170 1.00 0.00 H ATOM 715 HB2 LEU A 44 62.165 -5.193 14.869 1.00 0.00 H ATOM 716 HB3 LEU A 44 60.404 -5.445 14.913 1.00 0.00 H ATOM 717 HG LEU A 44 60.381 -2.778 14.659 1.00 0.00 H ATOM 718 HD21 LEU A 44 60.972 -4.708 12.347 1.00 0.00 H ATOM 719 HD22 LEU A 44 59.368 -4.411 13.063 1.00 0.00 H ATOM 720 HD23 LEU A 44 60.202 -3.111 12.176 1.00 0.00 H ATOM 721 HD11 LEU A 44 62.845 -2.521 14.694 1.00 0.00 H ATOM 722 HD12 LEU A 44 62.984 -3.598 13.283 1.00 0.00 H ATOM 723 HD13 LEU A 44 62.186 -2.015 13.119 1.00 0.00 H ATOM 724 H LEU A 44 60.649 -2.206 16.895 1.00 0.00 H ATOM 725 N GLU A 45 63.006 -2.737 16.914 1.00 0.00 N ATOM 726 CA GLU A 45 64.379 -2.310 17.340 1.00 0.00 C ATOM 727 C GLU A 45 64.284 -1.209 18.399 1.00 0.00 C ATOM 728 O GLU A 45 63.803 -0.130 18.130 1.00 0.00 O ATOM 729 CB GLU A 45 65.104 -1.759 16.123 1.00 0.00 C ATOM 730 CG GLU A 45 65.501 -2.912 15.203 1.00 0.00 C ATOM 731 CD GLU A 45 65.966 -2.350 13.858 1.00 0.00 C ATOM 732 OE1 GLU A 45 65.978 -1.138 13.720 1.00 0.00 O ATOM 733 OE2 GLU A 45 66.299 -3.137 12.990 1.00 0.00 O ATOM 734 HA GLU A 45 64.914 -3.162 17.760 1.00 0.00 H ATOM 735 HB2 GLU A 45 64.446 -1.075 15.586 1.00 0.00 H ATOM 736 HB3 GLU A 45 65.998 -1.225 16.443 1.00 0.00 H ATOM 737 HG2 GLU A 45 66.311 -3.480 15.660 1.00 0.00 H ATOM 738 HG3 GLU A 45 64.643 -3.566 15.047 1.00 0.00 H ATOM 739 H GLU A 45 62.365 -2.041 16.483 1.00 0.00 H ATOM 740 N GLU A 46 64.771 -1.457 19.590 1.00 0.00 N ATOM 741 CA GLU A 46 64.745 -0.414 20.660 1.00 0.00 C ATOM 742 C GLU A 46 66.170 0.078 20.856 1.00 0.00 C ATOM 743 O GLU A 46 67.073 -0.689 21.122 1.00 0.00 O ATOM 744 CB GLU A 46 64.223 -1.019 21.965 1.00 0.00 C ATOM 745 CG GLU A 46 64.121 0.075 23.030 1.00 0.00 C ATOM 746 CD GLU A 46 63.492 -0.505 24.297 1.00 0.00 C ATOM 747 OE1 GLU A 46 63.011 -1.624 24.237 1.00 0.00 O ATOM 748 OE2 GLU A 46 63.503 0.180 25.307 1.00 0.00 O ATOM 749 HA GLU A 46 64.089 0.409 20.376 1.00 0.00 H ATOM 750 HB2 GLU A 46 63.238 -1.454 21.796 1.00 0.00 H ATOM 751 HB3 GLU A 46 64.908 -1.795 22.306 1.00 0.00 H ATOM 752 HG2 GLU A 46 65.117 0.454 23.259 1.00 0.00 H ATOM 753 HG3 GLU A 46 63.501 0.890 22.656 1.00 0.00 H ATOM 754 H GLU A 46 65.181 -2.391 19.793 1.00 0.00 H ATOM 755 N ILE A 47 66.379 1.352 20.683 1.00 0.00 N ATOM 756 CA ILE A 47 67.748 1.935 20.808 1.00 0.00 C ATOM 757 C ILE A 47 67.882 2.668 22.139 1.00 0.00 C ATOM 758 O ILE A 47 67.141 3.578 22.457 1.00 0.00 O ATOM 759 CB ILE A 47 68.005 2.908 19.630 1.00 0.00 C ATOM 760 CG1 ILE A 47 67.154 2.509 18.413 1.00 0.00 C ATOM 761 CG2 ILE A 47 69.486 2.870 19.224 1.00 0.00 C ATOM 762 CD1 ILE A 47 67.537 1.107 17.935 1.00 0.00 C ATOM 763 HA ILE A 47 68.487 1.135 20.776 1.00 0.00 H ATOM 764 HB ILE A 47 67.735 3.913 19.955 1.00 0.00 H ATOM 765 HG12 ILE A 47 66.100 2.519 18.692 1.00 0.00 H ATOM 766 HG13 ILE A 47 67.322 3.223 17.607 1.00 0.00 H ATOM 767 HD11 ILE A 47 68.590 1.096 17.653 1.00 0.00 H ATOM 768 HD12 ILE A 47 67.367 0.391 18.739 1.00 0.00 H ATOM 769 HD13 ILE A 47 66.926 0.839 17.073 1.00 0.00 H ATOM 770 HG21 ILE A 47 70.102 3.166 20.073 1.00 0.00 H ATOM 771 HG22 ILE A 47 69.751 1.858 18.916 1.00 0.00 H ATOM 772 HG23 ILE A 47 69.652 3.558 18.395 1.00 0.00 H ATOM 773 H ILE A 47 65.578 1.974 20.454 1.00 0.00 H ATOM 774 N LYS A 48 68.837 2.260 22.907 1.00 0.00 N ATOM 775 CA LYS A 48 69.088 2.884 24.236 1.00 0.00 C ATOM 776 C LYS A 48 70.604 3.073 24.388 1.00 0.00 C ATOM 777 O LYS A 48 71.066 3.754 25.282 1.00 0.00 O ATOM 778 CB LYS A 48 68.548 1.962 25.375 1.00 0.00 C ATOM 779 CG LYS A 48 67.976 0.643 24.815 1.00 0.00 C ATOM 780 CD LYS A 48 69.126 -0.272 24.370 1.00 0.00 C ATOM 781 CE LYS A 48 68.589 -1.624 23.915 1.00 0.00 C ATOM 782 NZ LYS A 48 68.064 -2.374 25.087 1.00 0.00 N ATOM 783 HA LYS A 48 68.576 3.844 24.305 1.00 0.00 H ATOM 784 HB2 LYS A 48 69.364 1.731 26.060 1.00 0.00 H ATOM 785 HB3 LYS A 48 67.760 2.489 25.914 1.00 0.00 H ATOM 786 HG2 LYS A 48 67.393 0.143 25.589 1.00 0.00 H ATOM 787 HG3 LYS A 48 67.334 0.860 23.961 1.00 0.00 H ATOM 788 HD2 LYS A 48 69.660 0.198 23.544 1.00 0.00 H ATOM 789 HD3 LYS A 48 69.810 -0.420 25.205 1.00 0.00 H ATOM 790 HE2 LYS A 48 69.392 -2.195 23.449 1.00 0.00 H ATOM 791 HE3 LYS A 48 67.787 -1.471 23.193 1.00 0.00 H ATOM 792 HZ1 LYS A 48 68.830 -2.520 25.775 1.00 0.00 H ATOM 793 HZ2 LYS A 48 67.297 -1.829 25.531 1.00 0.00 H ATOM 794 HZ3 LYS A 48 67.699 -3.295 24.772 1.00 0.00 H ATOM 795 H LYS A 48 69.445 1.478 22.590 1.00 0.00 H ATOM 796 N GLU A 49 71.379 2.449 23.530 1.00 0.00 N ATOM 797 CA GLU A 49 72.866 2.554 23.621 1.00 0.00 C ATOM 798 C GLU A 49 73.444 3.050 22.304 1.00 0.00 C ATOM 799 O GLU A 49 72.854 2.901 21.252 1.00 0.00 O ATOM 800 CB GLU A 49 73.438 1.170 23.889 1.00 0.00 C ATOM 801 CG GLU A 49 72.931 0.640 25.217 1.00 0.00 C ATOM 802 CD GLU A 49 73.460 1.512 26.359 1.00 0.00 C ATOM 803 OE1 GLU A 49 74.466 2.172 26.156 1.00 0.00 O ATOM 804 OE2 GLU A 49 72.849 1.508 27.417 1.00 0.00 O ATOM 805 HA GLU A 49 73.121 3.250 24.420 1.00 0.00 H ATOM 806 HB2 GLU A 49 73.132 0.493 23.091 1.00 0.00 H ATOM 807 HB3 GLU A 49 74.526 1.229 23.917 1.00 0.00 H ATOM 808 HG2 GLU A 49 71.841 0.658 25.222 1.00 0.00 H ATOM 809 HG3 GLU A 49 73.276 -0.385 25.354 1.00 0.00 H ATOM 810 H GLU A 49 70.951 1.874 22.777 1.00 0.00 H ATOM 811 N GLN A 50 74.617 3.603 22.354 1.00 0.00 N ATOM 812 CA GLN A 50 75.272 4.068 21.112 1.00 0.00 C ATOM 813 C GLN A 50 75.866 2.846 20.400 1.00 0.00 C ATOM 814 O GLN A 50 76.149 2.872 19.219 1.00 0.00 O ATOM 815 CB GLN A 50 76.392 5.049 21.478 1.00 0.00 C ATOM 816 CG GLN A 50 77.538 4.299 22.168 1.00 0.00 C ATOM 817 CD GLN A 50 78.529 5.306 22.750 1.00 0.00 C ATOM 818 OE1 GLN A 50 78.135 6.317 23.296 1.00 0.00 O ATOM 819 NE2 GLN A 50 79.808 5.073 22.648 1.00 0.00 N ATOM 820 HA GLN A 50 74.556 4.568 20.460 1.00 0.00 H ATOM 821 HB2 GLN A 50 76.766 5.526 20.572 1.00 0.00 H ATOM 822 HB3 GLN A 50 76.000 5.810 22.153 1.00 0.00 H ATOM 823 HG2 GLN A 50 77.136 3.679 22.970 1.00 0.00 H ATOM 824 HG3 GLN A 50 78.047 3.666 21.442 1.00 0.00 H ATOM 825 HE22 GLN A 50 80.143 4.207 22.180 1.00 0.00 H ATOM 826 HE21 GLN A 50 80.493 5.753 23.035 1.00 0.00 H ATOM 827 H GLN A 50 75.097 3.719 23.269 1.00 0.00 H ATOM 828 N GLU A 51 76.084 1.777 21.134 1.00 0.00 N ATOM 829 CA GLU A 51 76.691 0.557 20.518 1.00 0.00 C ATOM 830 C GLU A 51 75.799 0.039 19.389 1.00 0.00 C ATOM 831 O GLU A 51 76.279 -0.344 18.342 1.00 0.00 O ATOM 832 CB GLU A 51 76.892 -0.527 21.590 1.00 0.00 C ATOM 833 CG GLU A 51 75.565 -1.219 21.909 1.00 0.00 C ATOM 834 CD GLU A 51 75.726 -2.082 23.160 1.00 0.00 C ATOM 835 OE1 GLU A 51 76.857 -2.298 23.565 1.00 0.00 O ATOM 836 OE2 GLU A 51 74.717 -2.513 23.691 1.00 0.00 O ATOM 837 HA GLU A 51 77.663 0.815 20.098 1.00 0.00 H ATOM 838 HB2 GLU A 51 77.603 -1.267 21.223 1.00 0.00 H ATOM 839 HB3 GLU A 51 77.284 -0.067 22.497 1.00 0.00 H ATOM 840 HG2 GLU A 51 74.796 -0.467 22.083 1.00 0.00 H ATOM 841 HG3 GLU A 51 75.272 -1.848 21.069 1.00 0.00 H ATOM 842 H GLU A 51 75.834 1.780 22.144 1.00 0.00 H ATOM 843 N VAL A 52 74.504 0.042 19.577 1.00 0.00 N ATOM 844 CA VAL A 52 73.616 -0.430 18.484 1.00 0.00 C ATOM 845 C VAL A 52 73.794 0.540 17.333 1.00 0.00 C ATOM 846 O VAL A 52 73.989 0.168 16.197 1.00 0.00 O ATOM 847 CB VAL A 52 72.162 -0.413 18.961 1.00 0.00 C ATOM 848 CG1 VAL A 52 71.294 -1.231 18.006 1.00 0.00 C ATOM 849 CG2 VAL A 52 72.086 -1.014 20.361 1.00 0.00 C ATOM 850 HA VAL A 52 73.863 -1.448 18.181 1.00 0.00 H ATOM 851 HB VAL A 52 71.799 0.615 18.982 1.00 0.00 H ATOM 852 HG11 VAL A 52 71.351 -0.800 17.006 1.00 0.00 H ATOM 853 HG12 VAL A 52 71.654 -2.260 17.981 1.00 0.00 H ATOM 854 HG13 VAL A 52 70.260 -1.214 18.352 1.00 0.00 H ATOM 855 HG21 VAL A 52 72.451 -2.041 20.335 1.00 0.00 H ATOM 856 HG22 VAL A 52 72.702 -0.426 21.041 1.00 0.00 H ATOM 857 HG23 VAL A 52 71.051 -1.003 20.704 1.00 0.00 H ATOM 858 H VAL A 52 74.102 0.370 20.479 1.00 0.00 H ATOM 859 N VAL A 53 73.763 1.793 17.654 1.00 0.00 N ATOM 860 CA VAL A 53 73.959 2.846 16.636 1.00 0.00 C ATOM 861 C VAL A 53 75.345 2.690 16.015 1.00 0.00 C ATOM 862 O VAL A 53 75.511 2.777 14.819 1.00 0.00 O ATOM 863 CB VAL A 53 73.847 4.191 17.355 1.00 0.00 C ATOM 864 CG1 VAL A 53 74.441 5.322 16.523 1.00 0.00 C ATOM 865 CG2 VAL A 53 72.375 4.487 17.635 1.00 0.00 C ATOM 866 HA VAL A 53 73.217 2.778 15.841 1.00 0.00 H ATOM 867 HB VAL A 53 74.408 4.128 18.287 1.00 0.00 H ATOM 868 HG11 VAL A 53 75.495 5.118 16.335 1.00 0.00 H ATOM 869 HG12 VAL A 53 73.908 5.392 15.575 1.00 0.00 H ATOM 870 HG13 VAL A 53 74.343 6.262 17.067 1.00 0.00 H ATOM 871 HG21 VAL A 53 71.828 4.528 16.693 1.00 0.00 H ATOM 872 HG22 VAL A 53 71.960 3.699 18.264 1.00 0.00 H ATOM 873 HG23 VAL A 53 72.290 5.445 18.148 1.00 0.00 H ATOM 874 H VAL A 53 73.597 2.063 18.644 1.00 0.00 H ATOM 875 N ASP A 54 76.348 2.472 16.816 1.00 0.00 N ATOM 876 CA ASP A 54 77.713 2.337 16.239 1.00 0.00 C ATOM 877 C ASP A 54 77.775 1.106 15.341 1.00 0.00 C ATOM 878 O ASP A 54 78.331 1.143 14.263 1.00 0.00 O ATOM 879 CB ASP A 54 78.744 2.202 17.359 1.00 0.00 C ATOM 880 CG ASP A 54 78.877 3.530 18.104 1.00 0.00 C ATOM 881 OD1 ASP A 54 78.591 4.554 17.507 1.00 0.00 O ATOM 882 OD2 ASP A 54 79.260 3.499 19.262 1.00 0.00 O ATOM 883 HA ASP A 54 77.936 3.227 15.651 1.00 0.00 H ATOM 884 HB2 ASP A 54 78.423 1.427 18.055 1.00 0.00 H ATOM 885 HB3 ASP A 54 79.709 1.928 16.932 1.00 0.00 H ATOM 886 H ASP A 54 76.198 2.394 17.842 1.00 0.00 H ATOM 887 N LYS A 55 77.201 0.017 15.766 1.00 0.00 N ATOM 888 CA LYS A 55 77.220 -1.205 14.921 1.00 0.00 C ATOM 889 C LYS A 55 76.319 -0.985 13.709 1.00 0.00 C ATOM 890 O LYS A 55 76.608 -1.418 12.611 1.00 0.00 O ATOM 891 CB LYS A 55 76.715 -2.398 15.731 1.00 0.00 C ATOM 892 CG LYS A 55 77.730 -2.737 16.825 1.00 0.00 C ATOM 893 CD LYS A 55 77.221 -3.932 17.633 1.00 0.00 C ATOM 894 CE LYS A 55 78.224 -4.278 18.731 1.00 0.00 C ATOM 895 NZ LYS A 55 79.507 -4.732 18.126 1.00 0.00 N ATOM 896 HA LYS A 55 78.238 -1.408 14.589 1.00 0.00 H ATOM 897 HB2 LYS A 55 75.757 -2.148 16.188 1.00 0.00 H ATOM 898 HB3 LYS A 55 76.589 -3.258 15.073 1.00 0.00 H ATOM 899 HG2 LYS A 55 78.688 -2.987 16.369 1.00 0.00 H ATOM 900 HG3 LYS A 55 77.856 -1.878 17.484 1.00 0.00 H ATOM 901 HD2 LYS A 55 76.261 -3.681 18.085 1.00 0.00 H ATOM 902 HD3 LYS A 55 77.097 -4.790 16.972 1.00 0.00 H ATOM 903 HE2 LYS A 55 77.817 -5.074 19.354 1.00 0.00 H ATOM 904 HE3 LYS A 55 78.406 -3.396 19.345 1.00 0.00 H ATOM 905 HZ1 LYS A 55 79.334 -5.575 17.542 1.00 0.00 H ATOM 906 HZ2 LYS A 55 79.897 -3.972 17.533 1.00 0.00 H ATOM 907 HZ3 LYS A 55 80.182 -4.965 18.882 1.00 0.00 H ATOM 908 H LYS A 55 76.731 0.003 16.694 1.00 0.00 H ATOM 909 N VAL A 56 75.225 -0.312 13.912 1.00 0.00 N ATOM 910 CA VAL A 56 74.279 -0.051 12.793 1.00 0.00 C ATOM 911 C VAL A 56 74.927 0.908 11.790 1.00 0.00 C ATOM 912 O VAL A 56 74.733 0.798 10.601 1.00 0.00 O ATOM 913 CB VAL A 56 72.980 0.544 13.362 1.00 0.00 C ATOM 914 CG1 VAL A 56 72.108 1.098 12.237 1.00 0.00 C ATOM 915 CG2 VAL A 56 72.198 -0.552 14.102 1.00 0.00 C ATOM 916 HA VAL A 56 74.042 -0.980 12.275 1.00 0.00 H ATOM 917 HB VAL A 56 73.238 1.352 14.047 1.00 0.00 H ATOM 918 HG11 VAL A 56 72.654 1.879 11.707 1.00 0.00 H ATOM 919 HG12 VAL A 56 71.857 0.295 11.545 1.00 0.00 H ATOM 920 HG13 VAL A 56 71.194 1.515 12.659 1.00 0.00 H ATOM 921 HG21 VAL A 56 71.957 -1.357 13.407 1.00 0.00 H ATOM 922 HG22 VAL A 56 72.807 -0.944 14.917 1.00 0.00 H ATOM 923 HG23 VAL A 56 71.277 -0.130 14.505 1.00 0.00 H ATOM 924 H VAL A 56 75.009 0.047 14.864 1.00 0.00 H ATOM 925 N MET A 57 75.699 1.840 12.259 1.00 0.00 N ATOM 926 CA MET A 57 76.365 2.799 11.330 1.00 0.00 C ATOM 927 C MET A 57 77.449 2.081 10.532 1.00 0.00 C ATOM 928 O MET A 57 77.607 2.308 9.357 1.00 0.00 O ATOM 929 CB MET A 57 76.968 3.969 12.109 1.00 0.00 C ATOM 930 CG MET A 57 75.841 4.867 12.628 1.00 0.00 C ATOM 931 SD MET A 57 75.049 5.735 11.246 1.00 0.00 S ATOM 932 CE MET A 57 76.262 7.058 11.014 1.00 0.00 C ATOM 933 HA MET A 57 75.619 3.194 10.640 1.00 0.00 H ATOM 934 HB2 MET A 57 77.546 3.587 12.950 1.00 0.00 H ATOM 935 HB3 MET A 57 77.620 4.546 11.453 1.00 0.00 H ATOM 936 HG2 MET A 57 76.253 5.597 13.324 1.00 0.00 H ATOM 937 HG3 MET A 57 75.100 4.255 13.142 1.00 0.00 H ATOM 938 HE1 MET A 57 76.339 7.643 11.930 1.00 0.00 H ATOM 939 HE2 MET A 57 77.232 6.622 10.777 1.00 0.00 H ATOM 940 HE3 MET A 57 75.942 7.703 10.195 1.00 0.00 H ATOM 941 H MET A 57 75.854 1.919 13.284 1.00 0.00 H ATOM 942 N GLU A 58 78.192 1.204 11.138 1.00 0.00 N ATOM 943 CA GLU A 58 79.231 0.494 10.351 1.00 0.00 C ATOM 944 C GLU A 58 78.519 -0.251 9.231 1.00 0.00 C ATOM 945 O GLU A 58 79.067 -0.493 8.174 1.00 0.00 O ATOM 946 CB GLU A 58 79.997 -0.500 11.236 1.00 0.00 C ATOM 947 CG GLU A 58 80.873 0.261 12.234 1.00 0.00 C ATOM 948 CD GLU A 58 81.608 -0.732 13.139 1.00 0.00 C ATOM 949 OE1 GLU A 58 81.325 -1.915 13.041 1.00 0.00 O ATOM 950 OE2 GLU A 58 82.432 -0.292 13.925 1.00 0.00 O ATOM 951 HA GLU A 58 79.954 1.205 9.951 1.00 0.00 H ATOM 952 HB2 GLU A 58 79.287 -1.123 11.779 1.00 0.00 H ATOM 953 HB3 GLU A 58 80.627 -1.132 10.610 1.00 0.00 H ATOM 954 HG2 GLU A 58 81.601 0.864 11.691 1.00 0.00 H ATOM 955 HG3 GLU A 58 80.246 0.912 12.844 1.00 0.00 H ATOM 956 H GLU A 58 78.062 1.004 12.150 1.00 0.00 H ATOM 957 N THR A 59 77.286 -0.607 9.459 1.00 0.00 N ATOM 958 CA THR A 59 76.514 -1.330 8.406 1.00 0.00 C ATOM 959 C THR A 59 76.145 -0.365 7.270 1.00 0.00 C ATOM 960 O THR A 59 76.106 -0.741 6.116 1.00 0.00 O ATOM 961 CB THR A 59 75.243 -1.939 9.011 1.00 0.00 C ATOM 962 OG1 THR A 59 75.597 -2.818 10.072 1.00 0.00 O ATOM 963 CG2 THR A 59 74.489 -2.720 7.929 1.00 0.00 C ATOM 964 HA THR A 59 77.132 -2.132 8.002 1.00 0.00 H ATOM 965 HB THR A 59 74.605 -1.144 9.397 1.00 0.00 H ATOM 966 HG1 THR A 59 76.085 -2.312 10.769 1.00 0.00 H ATOM 967 HG23 THR A 59 74.219 -2.045 7.117 1.00 0.00 H ATOM 968 HG21 THR A 59 75.128 -3.515 7.545 1.00 0.00 H ATOM 969 HG22 THR A 59 73.586 -3.154 8.358 1.00 0.00 H ATOM 970 H THR A 59 76.841 -0.388 10.373 1.00 0.00 H ATOM 971 N LEU A 60 75.865 0.874 7.593 1.00 0.00 N ATOM 972 CA LEU A 60 75.484 1.878 6.553 1.00 0.00 C ATOM 973 C LEU A 60 76.682 2.781 6.303 1.00 0.00 C ATOM 974 O LEU A 60 77.194 2.886 5.207 1.00 0.00 O ATOM 975 CB LEU A 60 74.320 2.747 7.069 1.00 0.00 C ATOM 976 CG LEU A 60 73.289 1.894 7.803 1.00 0.00 C ATOM 977 CD1 LEU A 60 72.301 2.822 8.512 1.00 0.00 C ATOM 978 CD2 LEU A 60 72.557 1.013 6.789 1.00 0.00 C ATOM 979 HA LEU A 60 75.181 1.366 5.640 1.00 0.00 H ATOM 980 HB2 LEU A 60 74.712 3.500 7.752 1.00 0.00 H ATOM 981 HB3 LEU A 60 73.840 3.240 6.224 1.00 0.00 H ATOM 982 HG LEU A 60 73.775 1.255 8.540 1.00 0.00 H ATOM 983 HD21 LEU A 60 72.056 1.645 6.055 1.00 0.00 H ATOM 984 HD22 LEU A 60 73.276 0.368 6.284 1.00 0.00 H ATOM 985 HD23 LEU A 60 71.819 0.401 7.307 1.00 0.00 H ATOM 986 HD11 LEU A 60 72.839 3.448 9.224 1.00 0.00 H ATOM 987 HD12 LEU A 60 71.804 3.453 7.775 1.00 0.00 H ATOM 988 HD13 LEU A 60 71.558 2.224 9.041 1.00 0.00 H ATOM 989 H LEU A 60 75.909 1.164 8.591 1.00 0.00 H ATOM 990 N ASP A 61 77.129 3.426 7.338 1.00 0.00 N ATOM 991 CA ASP A 61 78.295 4.326 7.217 1.00 0.00 C ATOM 992 C ASP A 61 79.533 3.482 6.972 1.00 0.00 C ATOM 993 O ASP A 61 80.500 3.534 7.707 1.00 0.00 O ATOM 994 CB ASP A 61 78.464 5.108 8.512 1.00 0.00 C ATOM 995 CG ASP A 61 79.590 6.121 8.343 1.00 0.00 C ATOM 996 OD1 ASP A 61 80.285 6.045 7.343 1.00 0.00 O ATOM 997 OD2 ASP A 61 79.743 6.950 9.219 1.00 0.00 O ATOM 998 HA ASP A 61 78.148 5.023 6.392 1.00 0.00 H ATOM 999 HB2 ASP A 61 77.536 5.630 8.747 1.00 0.00 H ATOM 1000 HB3 ASP A 61 78.709 4.422 9.323 1.00 0.00 H ATOM 1001 H ASP A 61 76.662 3.308 8.260 1.00 0.00 H ATOM 1002 N GLU A 62 79.501 2.699 5.943 1.00 0.00 N ATOM 1003 CA GLU A 62 80.663 1.833 5.629 1.00 0.00 C ATOM 1004 C GLU A 62 81.848 2.699 5.233 1.00 0.00 C ATOM 1005 O GLU A 62 82.895 2.212 4.859 1.00 0.00 O ATOM 1006 CB GLU A 62 80.313 0.877 4.487 1.00 0.00 C ATOM 1007 CG GLU A 62 79.305 -0.163 4.980 1.00 0.00 C ATOM 1008 CD GLU A 62 78.959 -1.113 3.836 1.00 0.00 C ATOM 1009 OE1 GLU A 62 79.537 -0.962 2.773 1.00 0.00 O ATOM 1010 OE2 GLU A 62 78.128 -1.982 4.045 1.00 0.00 O ATOM 1011 HA GLU A 62 80.921 1.247 6.511 1.00 0.00 H ATOM 1012 HB2 GLU A 62 79.879 1.441 3.661 1.00 0.00 H ATOM 1013 HB3 GLU A 62 81.217 0.373 4.145 1.00 0.00 H ATOM 1014 HG2 GLU A 62 79.739 -0.729 5.805 1.00 0.00 H ATOM 1015 HG3 GLU A 62 78.401 0.340 5.322 1.00 0.00 H ATOM 1016 H GLU A 62 78.658 2.677 5.334 1.00 0.00 H ATOM 1017 N ASP A 63 81.699 3.984 5.353 1.00 0.00 N ATOM 1018 CA ASP A 63 82.821 4.899 5.031 1.00 0.00 C ATOM 1019 C ASP A 63 83.550 5.160 6.338 1.00 0.00 C ATOM 1020 O ASP A 63 84.743 5.395 6.371 1.00 0.00 O ATOM 1021 CB ASP A 63 82.274 6.211 4.469 1.00 0.00 C ATOM 1022 CG ASP A 63 81.684 5.965 3.077 1.00 0.00 C ATOM 1023 OD1 ASP A 63 82.138 5.045 2.416 1.00 0.00 O ATOM 1024 OD2 ASP A 63 80.787 6.699 2.698 1.00 0.00 O ATOM 1025 HA ASP A 63 83.487 4.465 4.286 1.00 0.00 H ATOM 1026 HB2 ASP A 63 81.497 6.594 5.131 1.00 0.00 H ATOM 1027 HB3 ASP A 63 83.081 6.940 4.398 1.00 0.00 H ATOM 1028 H ASP A 63 80.790 4.372 5.676 1.00 0.00 H ATOM 1029 N GLY A 64 82.830 5.101 7.428 1.00 0.00 N ATOM 1030 CA GLY A 64 83.469 5.325 8.752 1.00 0.00 C ATOM 1031 C GLY A 64 83.600 6.820 8.976 1.00 0.00 C ATOM 1032 O GLY A 64 84.241 7.276 9.904 1.00 0.00 O ATOM 1033 HA3 GLY A 64 84.456 4.863 8.767 1.00 0.00 H ATOM 1034 HA2 GLY A 64 82.852 4.888 9.537 1.00 0.00 H ATOM 1035 H GLY A 64 81.812 4.898 7.369 1.00 0.00 H ATOM 1036 N ASP A 65 82.979 7.588 8.133 1.00 0.00 N ATOM 1037 CA ASP A 65 83.046 9.065 8.291 1.00 0.00 C ATOM 1038 C ASP A 65 82.059 9.478 9.380 1.00 0.00 C ATOM 1039 O ASP A 65 81.895 10.645 9.676 1.00 0.00 O ATOM 1040 CB ASP A 65 82.680 9.745 6.970 1.00 0.00 C ATOM 1041 CG ASP A 65 81.330 9.220 6.482 1.00 0.00 C ATOM 1042 OD1 ASP A 65 80.783 8.351 7.139 1.00 0.00 O ATOM 1043 OD2 ASP A 65 80.868 9.694 5.457 1.00 0.00 O ATOM 1044 HA ASP A 65 84.056 9.367 8.569 1.00 0.00 H ATOM 1045 HB2 ASP A 65 82.618 10.823 7.121 1.00 0.00 H ATOM 1046 HB3 ASP A 65 83.445 9.527 6.225 1.00 0.00 H ATOM 1047 H ASP A 65 82.436 7.171 7.350 1.00 0.00 H ATOM 1048 N GLY A 66 81.392 8.521 9.974 1.00 0.00 N ATOM 1049 CA GLY A 66 80.409 8.854 11.038 1.00 0.00 C ATOM 1050 C GLY A 66 79.229 9.554 10.382 1.00 0.00 C ATOM 1051 O GLY A 66 78.601 10.419 10.959 1.00 0.00 O ATOM 1052 HA3 GLY A 66 80.869 9.514 11.774 1.00 0.00 H ATOM 1053 HA2 GLY A 66 80.072 7.942 11.530 1.00 0.00 H ATOM 1054 H GLY A 66 81.550 7.530 9.702 1.00 0.00 H ATOM 1055 N GLU A 67 78.942 9.203 9.155 1.00 0.00 N ATOM 1056 CA GLU A 67 77.817 9.864 8.425 1.00 0.00 C ATOM 1057 C GLU A 67 77.095 8.846 7.542 1.00 0.00 C ATOM 1058 O GLU A 67 77.659 7.849 7.133 1.00 0.00 O ATOM 1059 CB GLU A 67 78.385 10.983 7.541 1.00 0.00 C ATOM 1060 CG GLU A 67 79.031 12.064 8.414 1.00 0.00 C ATOM 1061 CD GLU A 67 79.591 13.171 7.521 1.00 0.00 C ATOM 1062 OE1 GLU A 67 79.615 12.978 6.317 1.00 0.00 O ATOM 1063 OE2 GLU A 67 79.996 14.189 8.057 1.00 0.00 O ATOM 1064 HA GLU A 67 77.111 10.275 9.147 1.00 0.00 H ATOM 1065 HB2 GLU A 67 79.135 10.566 6.868 1.00 0.00 H ATOM 1066 HB3 GLU A 67 77.579 11.425 6.956 1.00 0.00 H ATOM 1067 HG2 GLU A 67 78.283 12.483 9.087 1.00 0.00 H ATOM 1068 HG3 GLU A 67 79.839 11.625 8.999 1.00 0.00 H ATOM 1069 H GLU A 67 79.499 8.461 8.685 1.00 0.00 H ATOM 1070 N CYS A 68 75.848 9.105 7.234 1.00 0.00 N ATOM 1071 CA CYS A 68 75.059 8.181 6.361 1.00 0.00 C ATOM 1072 C CYS A 68 74.347 9.009 5.293 1.00 0.00 C ATOM 1073 O CYS A 68 73.653 9.964 5.581 1.00 0.00 O ATOM 1074 CB CYS A 68 74.043 7.416 7.212 1.00 0.00 C ATOM 1075 SG CYS A 68 72.760 6.703 6.150 1.00 0.00 S ATOM 1076 HA CYS A 68 75.718 7.459 5.879 1.00 0.00 H ATOM 1077 HB2 CYS A 68 73.583 8.099 7.926 1.00 0.00 H ATOM 1078 HB3 CYS A 68 74.552 6.617 7.751 1.00 0.00 H ATOM 1079 HG CYS A 68 72.114 7.715 5.469 1.00 0.00 H ATOM 1080 H CYS A 68 75.399 9.968 7.603 1.00 0.00 H ATOM 1081 N ASP A 69 74.525 8.660 4.054 1.00 0.00 N ATOM 1082 CA ASP A 69 73.871 9.431 2.965 1.00 0.00 C ATOM 1083 C ASP A 69 72.454 8.914 2.754 1.00 0.00 C ATOM 1084 O ASP A 69 72.068 7.887 3.275 1.00 0.00 O ATOM 1085 CB ASP A 69 74.661 9.252 1.675 1.00 0.00 C ATOM 1086 CG ASP A 69 75.999 9.984 1.789 1.00 0.00 C ATOM 1087 OD1 ASP A 69 76.110 10.843 2.649 1.00 0.00 O ATOM 1088 OD2 ASP A 69 76.889 9.672 1.016 1.00 0.00 O ATOM 1089 HA ASP A 69 73.840 10.486 3.238 1.00 0.00 H ATOM 1090 HB2 ASP A 69 74.841 8.191 1.503 1.00 0.00 H ATOM 1091 HB3 ASP A 69 74.092 9.662 0.841 1.00 0.00 H ATOM 1092 H ASP A 69 75.125 7.842 3.825 1.00 0.00 H ATOM 1093 N PHE A 70 71.679 9.609 1.976 1.00 0.00 N ATOM 1094 CA PHE A 70 70.298 9.147 1.712 1.00 0.00 C ATOM 1095 C PHE A 70 70.358 7.711 1.181 1.00 0.00 C ATOM 1096 O PHE A 70 69.589 6.858 1.579 1.00 0.00 O ATOM 1097 CB PHE A 70 69.679 10.063 0.656 1.00 0.00 C ATOM 1098 CG PHE A 70 70.687 10.297 -0.441 1.00 0.00 C ATOM 1099 CD1 PHE A 70 70.767 9.416 -1.521 1.00 0.00 C ATOM 1100 CD2 PHE A 70 71.547 11.399 -0.371 1.00 0.00 C ATOM 1101 CE1 PHE A 70 71.709 9.634 -2.534 1.00 0.00 C ATOM 1102 CE2 PHE A 70 72.488 11.619 -1.385 1.00 0.00 C ATOM 1103 CZ PHE A 70 72.570 10.735 -2.467 1.00 0.00 C ATOM 1104 HA PHE A 70 69.697 9.174 2.621 1.00 0.00 H ATOM 1105 HB2 PHE A 70 68.788 9.592 0.240 1.00 0.00 H ATOM 1106 HB3 PHE A 70 69.406 11.015 1.112 1.00 0.00 H ATOM 1107 HD2 PHE A 70 71.484 12.086 0.473 1.00 0.00 H ATOM 1108 HE2 PHE A 70 73.156 12.478 -1.331 1.00 0.00 H ATOM 1109 HZ PHE A 70 73.303 10.904 -3.256 1.00 0.00 H ATOM 1110 HE1 PHE A 70 71.772 8.945 -3.376 1.00 0.00 H ATOM 1111 HD1 PHE A 70 70.096 8.559 -1.576 1.00 0.00 H ATOM 1112 H PHE A 70 72.028 10.487 1.541 1.00 0.00 H ATOM 1113 N GLN A 71 71.274 7.435 0.290 1.00 0.00 N ATOM 1114 CA GLN A 71 71.387 6.053 -0.257 1.00 0.00 C ATOM 1115 C GLN A 71 71.757 5.082 0.870 1.00 0.00 C ATOM 1116 O GLN A 71 71.255 3.978 0.933 1.00 0.00 O ATOM 1117 CB GLN A 71 72.480 6.013 -1.335 1.00 0.00 C ATOM 1118 CG GLN A 71 72.589 4.594 -1.910 1.00 0.00 C ATOM 1119 CD GLN A 71 73.673 4.548 -2.990 1.00 0.00 C ATOM 1120 OE1 GLN A 71 74.177 5.570 -3.409 1.00 0.00 O ATOM 1121 NE2 GLN A 71 74.043 3.392 -3.471 1.00 0.00 N ATOM 1122 HA GLN A 71 70.431 5.761 -0.693 1.00 0.00 H ATOM 1123 HB2 GLN A 71 72.227 6.710 -2.134 1.00 0.00 H ATOM 1124 HB3 GLN A 71 73.435 6.300 -0.894 1.00 0.00 H ATOM 1125 HG2 GLN A 71 72.846 3.899 -1.111 1.00 0.00 H ATOM 1126 HG3 GLN A 71 71.632 4.307 -2.346 1.00 0.00 H ATOM 1127 HE22 GLN A 71 73.611 2.517 -3.112 1.00 0.00 H ATOM 1128 HE21 GLN A 71 74.770 3.346 -4.213 1.00 0.00 H ATOM 1129 H GLN A 71 71.923 8.179 -0.037 1.00 0.00 H ATOM 1130 N GLU A 72 72.643 5.475 1.751 1.00 0.00 N ATOM 1131 CA GLU A 72 73.051 4.560 2.854 1.00 0.00 C ATOM 1132 C GLU A 72 71.904 4.364 3.845 1.00 0.00 C ATOM 1133 O GLU A 72 71.668 3.275 4.329 1.00 0.00 O ATOM 1134 CB GLU A 72 74.271 5.151 3.570 1.00 0.00 C ATOM 1135 CG GLU A 72 75.497 5.076 2.654 1.00 0.00 C ATOM 1136 CD GLU A 72 76.720 5.612 3.400 1.00 0.00 C ATOM 1137 OE1 GLU A 72 76.644 5.731 4.610 1.00 0.00 O ATOM 1138 OE2 GLU A 72 77.712 5.893 2.748 1.00 0.00 O ATOM 1139 HA GLU A 72 73.306 3.587 2.435 1.00 0.00 H ATOM 1140 HB2 GLU A 72 74.072 6.192 3.825 1.00 0.00 H ATOM 1141 HB3 GLU A 72 74.465 4.586 4.482 1.00 0.00 H ATOM 1142 HG2 GLU A 72 75.672 4.040 2.364 1.00 0.00 H ATOM 1143 HG3 GLU A 72 75.322 5.677 1.762 1.00 0.00 H ATOM 1144 H GLU A 72 73.061 6.425 1.681 1.00 0.00 H ATOM 1145 N PHE A 73 71.188 5.402 4.141 1.00 0.00 N ATOM 1146 CA PHE A 73 70.047 5.283 5.093 1.00 0.00 C ATOM 1147 C PHE A 73 68.943 4.433 4.451 1.00 0.00 C ATOM 1148 O PHE A 73 68.268 3.657 5.106 1.00 0.00 O ATOM 1149 CB PHE A 73 69.535 6.705 5.414 1.00 0.00 C ATOM 1150 CG PHE A 73 68.027 6.718 5.613 1.00 0.00 C ATOM 1151 CD1 PHE A 73 67.449 5.945 6.628 1.00 0.00 C ATOM 1152 CD2 PHE A 73 67.213 7.494 4.772 1.00 0.00 C ATOM 1153 CE1 PHE A 73 66.059 5.948 6.803 1.00 0.00 C ATOM 1154 CE2 PHE A 73 65.823 7.495 4.950 1.00 0.00 C ATOM 1155 CZ PHE A 73 65.246 6.722 5.965 1.00 0.00 C ATOM 1156 HA PHE A 73 70.358 4.797 6.018 1.00 0.00 H ATOM 1157 HB2 PHE A 73 70.017 7.059 6.326 1.00 0.00 H ATOM 1158 HB3 PHE A 73 69.790 7.369 4.588 1.00 0.00 H ATOM 1159 HD2 PHE A 73 67.662 8.095 3.981 1.00 0.00 H ATOM 1160 HE2 PHE A 73 65.191 8.098 4.298 1.00 0.00 H ATOM 1161 HZ PHE A 73 64.165 6.723 6.103 1.00 0.00 H ATOM 1162 HE1 PHE A 73 65.609 5.347 7.593 1.00 0.00 H ATOM 1163 HD1 PHE A 73 68.080 5.342 7.281 1.00 0.00 H ATOM 1164 H PHE A 73 71.410 6.323 3.712 1.00 0.00 H ATOM 1165 N MET A 74 68.745 4.591 3.178 1.00 0.00 N ATOM 1166 CA MET A 74 67.677 3.816 2.494 1.00 0.00 C ATOM 1167 C MET A 74 67.974 2.318 2.637 1.00 0.00 C ATOM 1168 O MET A 74 67.084 1.495 2.738 1.00 0.00 O ATOM 1169 CB MET A 74 67.627 4.219 1.012 1.00 0.00 C ATOM 1170 CG MET A 74 66.199 4.057 0.479 1.00 0.00 C ATOM 1171 SD MET A 74 65.707 2.314 0.573 1.00 0.00 S ATOM 1172 CE MET A 74 64.261 2.396 -0.517 1.00 0.00 C ATOM 1173 HA MET A 74 66.708 4.028 2.947 1.00 0.00 H ATOM 1174 HB2 MET A 74 67.937 5.259 0.909 1.00 0.00 H ATOM 1175 HB3 MET A 74 68.302 3.582 0.440 1.00 0.00 H ATOM 1176 HG2 MET A 74 66.159 4.390 -0.558 1.00 0.00 H ATOM 1177 HG3 MET A 74 65.517 4.659 1.079 1.00 0.00 H ATOM 1178 HE1 MET A 74 63.537 3.099 -0.105 1.00 0.00 H ATOM 1179 HE2 MET A 74 64.572 2.731 -1.507 1.00 0.00 H ATOM 1180 HE3 MET A 74 63.808 1.408 -0.592 1.00 0.00 H ATOM 1181 H MET A 74 69.332 5.258 2.638 1.00 0.00 H ATOM 1182 N ALA A 75 69.225 1.959 2.628 1.00 0.00 N ATOM 1183 CA ALA A 75 69.585 0.521 2.751 1.00 0.00 C ATOM 1184 C ALA A 75 69.236 0.010 4.146 1.00 0.00 C ATOM 1185 O ALA A 75 68.929 -1.149 4.327 1.00 0.00 O ATOM 1186 CB ALA A 75 71.080 0.336 2.499 1.00 0.00 C ATOM 1187 HA ALA A 75 69.021 -0.046 2.011 1.00 0.00 H ATOM 1188 HB1 ALA A 75 71.324 0.684 1.495 1.00 0.00 H ATOM 1189 HB2 ALA A 75 71.645 0.913 3.232 1.00 0.00 H ATOM 1190 HB3 ALA A 75 71.335 -0.720 2.591 1.00 0.00 H ATOM 1191 H ALA A 75 69.972 2.677 2.535 1.00 0.00 H ATOM 1192 N PHE A 76 69.275 0.855 5.134 1.00 0.00 N ATOM 1193 CA PHE A 76 68.938 0.384 6.504 1.00 0.00 C ATOM 1194 C PHE A 76 67.517 -0.153 6.498 1.00 0.00 C ATOM 1195 O PHE A 76 67.219 -1.162 7.100 1.00 0.00 O ATOM 1196 CB PHE A 76 69.005 1.556 7.478 1.00 0.00 C ATOM 1197 CG PHE A 76 68.649 1.076 8.867 1.00 0.00 C ATOM 1198 CD1 PHE A 76 69.584 0.369 9.635 1.00 0.00 C ATOM 1199 CD2 PHE A 76 67.376 1.345 9.390 1.00 0.00 C ATOM 1200 CE1 PHE A 76 69.246 -0.067 10.922 1.00 0.00 C ATOM 1201 CE2 PHE A 76 67.039 0.908 10.676 1.00 0.00 C ATOM 1202 CZ PHE A 76 67.975 0.202 11.442 1.00 0.00 C ATOM 1203 HA PHE A 76 69.642 -0.391 6.807 1.00 0.00 H ATOM 1204 HB2 PHE A 76 70.014 1.968 7.483 1.00 0.00 H ATOM 1205 HB3 PHE A 76 68.300 2.328 7.168 1.00 0.00 H ATOM 1206 HD2 PHE A 76 66.648 1.895 8.794 1.00 0.00 H ATOM 1207 HE2 PHE A 76 66.049 1.117 11.081 1.00 0.00 H ATOM 1208 HZ PHE A 76 67.713 -0.138 12.444 1.00 0.00 H ATOM 1209 HE1 PHE A 76 69.974 -0.616 11.519 1.00 0.00 H ATOM 1210 HD1 PHE A 76 70.574 0.159 9.231 1.00 0.00 H ATOM 1211 H PHE A 76 69.538 1.847 4.968 1.00 0.00 H ATOM 1212 N VAL A 77 66.640 0.511 5.819 1.00 0.00 N ATOM 1213 CA VAL A 77 65.231 0.038 5.771 1.00 0.00 C ATOM 1214 C VAL A 77 65.199 -1.365 5.167 1.00 0.00 C ATOM 1215 O VAL A 77 64.494 -2.242 5.627 1.00 0.00 O ATOM 1216 CB VAL A 77 64.401 0.991 4.893 1.00 0.00 C ATOM 1217 CG1 VAL A 77 62.939 0.978 5.339 1.00 0.00 C ATOM 1218 CG2 VAL A 77 64.962 2.409 5.001 1.00 0.00 C ATOM 1219 HA VAL A 77 64.814 0.017 6.778 1.00 0.00 H ATOM 1220 HB VAL A 77 64.457 0.658 3.857 1.00 0.00 H ATOM 1221 HG11 VAL A 77 62.541 -0.032 5.246 1.00 0.00 H ATOM 1222 HG12 VAL A 77 62.875 1.301 6.378 1.00 0.00 H ATOM 1223 HG13 VAL A 77 62.363 1.656 4.710 1.00 0.00 H ATOM 1224 HG21 VAL A 77 64.915 2.739 6.039 1.00 0.00 H ATOM 1225 HG22 VAL A 77 65.998 2.415 4.663 1.00 0.00 H ATOM 1226 HG23 VAL A 77 64.371 3.080 4.378 1.00 0.00 H ATOM 1227 H VAL A 77 66.919 1.373 5.308 1.00 0.00 H ATOM 1228 N SER A 78 65.952 -1.571 4.123 1.00 0.00 N ATOM 1229 CA SER A 78 65.970 -2.904 3.471 1.00 0.00 C ATOM 1230 C SER A 78 66.438 -3.958 4.464 1.00 0.00 C ATOM 1231 O SER A 78 65.881 -5.034 4.551 1.00 0.00 O ATOM 1232 CB SER A 78 66.926 -2.878 2.280 1.00 0.00 C ATOM 1233 OG SER A 78 66.818 -4.101 1.563 1.00 0.00 O ATOM 1234 HA SER A 78 64.964 -3.147 3.130 1.00 0.00 H ATOM 1235 HB2 SER A 78 67.949 -2.754 2.636 1.00 0.00 H ATOM 1236 HB3 SER A 78 66.668 -2.047 1.624 1.00 0.00 H ATOM 1237 HG SER A 78 67.437 -4.085 0.791 1.00 0.00 H ATOM 1238 H SER A 78 66.541 -0.801 3.747 1.00 0.00 H ATOM 1239 N MET A 79 67.465 -3.669 5.211 1.00 0.00 N ATOM 1240 CA MET A 79 67.956 -4.675 6.181 1.00 0.00 C ATOM 1241 C MET A 79 66.861 -4.984 7.187 1.00 0.00 C ATOM 1242 O MET A 79 66.594 -6.129 7.496 1.00 0.00 O ATOM 1243 CB MET A 79 69.190 -4.144 6.909 1.00 0.00 C ATOM 1244 CG MET A 79 69.790 -5.268 7.756 1.00 0.00 C ATOM 1245 SD MET A 79 71.258 -4.665 8.632 1.00 0.00 S ATOM 1246 CE MET A 79 70.446 -3.402 9.645 1.00 0.00 C ATOM 1247 HA MET A 79 68.227 -5.585 5.646 1.00 0.00 H ATOM 1248 HB2 MET A 79 69.925 -3.802 6.181 1.00 0.00 H ATOM 1249 HB3 MET A 79 68.905 -3.312 7.554 1.00 0.00 H ATOM 1250 HG2 MET A 79 70.071 -6.098 7.108 1.00 0.00 H ATOM 1251 HG3 MET A 79 69.051 -5.609 8.481 1.00 0.00 H ATOM 1252 HE1 MET A 79 69.967 -2.670 8.995 1.00 0.00 H ATOM 1253 HE2 MET A 79 69.695 -3.874 10.279 1.00 0.00 H ATOM 1254 HE3 MET A 79 71.189 -2.905 10.268 1.00 0.00 H ATOM 1255 H MET A 79 67.934 -2.744 5.128 1.00 0.00 H ATOM 1256 N VAL A 80 66.215 -3.974 7.692 1.00 0.00 N ATOM 1257 CA VAL A 80 65.129 -4.217 8.672 1.00 0.00 C ATOM 1258 C VAL A 80 63.959 -4.866 7.939 1.00 0.00 C ATOM 1259 O VAL A 80 63.306 -5.750 8.455 1.00 0.00 O ATOM 1260 CB VAL A 80 64.700 -2.896 9.319 1.00 0.00 C ATOM 1261 CG1 VAL A 80 63.668 -3.161 10.417 1.00 0.00 C ATOM 1262 CG2 VAL A 80 65.919 -2.218 9.944 1.00 0.00 C ATOM 1263 HA VAL A 80 65.476 -4.879 9.465 1.00 0.00 H ATOM 1264 HB VAL A 80 64.263 -2.254 8.555 1.00 0.00 H ATOM 1265 HG11 VAL A 80 62.795 -3.648 9.983 1.00 0.00 H ATOM 1266 HG12 VAL A 80 64.106 -3.807 11.177 1.00 0.00 H ATOM 1267 HG13 VAL A 80 63.370 -2.215 10.870 1.00 0.00 H ATOM 1268 HG21 VAL A 80 66.349 -2.873 10.702 1.00 0.00 H ATOM 1269 HG22 VAL A 80 66.660 -2.021 9.170 1.00 0.00 H ATOM 1270 HG23 VAL A 80 65.614 -1.278 10.404 1.00 0.00 H ATOM 1271 H VAL A 80 66.459 -3.003 7.410 1.00 0.00 H ATOM 1272 N THR A 81 63.698 -4.447 6.728 1.00 0.00 N ATOM 1273 CA THR A 81 62.579 -5.070 5.963 1.00 0.00 C ATOM 1274 C THR A 81 62.877 -6.551 5.780 1.00 0.00 C ATOM 1275 O THR A 81 62.007 -7.393 5.873 1.00 0.00 O ATOM 1276 CB THR A 81 62.452 -4.424 4.579 1.00 0.00 C ATOM 1277 OG1 THR A 81 62.156 -3.044 4.723 1.00 0.00 O ATOM 1278 CG2 THR A 81 61.337 -5.123 3.786 1.00 0.00 C ATOM 1279 HA THR A 81 61.649 -4.925 6.513 1.00 0.00 H ATOM 1280 HB THR A 81 63.393 -4.530 4.039 1.00 0.00 H ATOM 1281 HG1 THR A 81 62.885 -2.602 5.227 1.00 0.00 H ATOM 1282 HG23 THR A 81 61.576 -6.181 3.682 1.00 0.00 H ATOM 1283 HG21 THR A 81 60.391 -5.013 4.317 1.00 0.00 H ATOM 1284 HG22 THR A 81 61.256 -4.669 2.798 1.00 0.00 H ATOM 1285 H THR A 81 64.265 -3.686 6.302 1.00 0.00 H ATOM 1286 N THR A 82 64.109 -6.872 5.512 1.00 0.00 N ATOM 1287 CA THR A 82 64.477 -8.297 5.307 1.00 0.00 C ATOM 1288 C THR A 82 64.329 -9.048 6.632 1.00 0.00 C ATOM 1289 O THR A 82 63.855 -10.168 6.678 1.00 0.00 O ATOM 1290 CB THR A 82 65.932 -8.373 4.827 1.00 0.00 C ATOM 1291 OG1 THR A 82 66.097 -7.520 3.700 1.00 0.00 O ATOM 1292 CG2 THR A 82 66.274 -9.812 4.425 1.00 0.00 C ATOM 1293 HA THR A 82 63.824 -8.749 4.560 1.00 0.00 H ATOM 1294 HB THR A 82 66.595 -8.058 5.633 1.00 0.00 H ATOM 1295 HG1 THR A 82 65.879 -6.589 3.957 1.00 0.00 H ATOM 1296 HG23 THR A 82 66.149 -10.468 5.286 1.00 0.00 H ATOM 1297 HG21 THR A 82 65.609 -10.132 3.623 1.00 0.00 H ATOM 1298 HG22 THR A 82 67.307 -9.856 4.081 1.00 0.00 H ATOM 1299 H THR A 82 64.836 -6.132 5.441 1.00 0.00 H ATOM 1300 N ALA A 83 64.736 -8.440 7.712 1.00 0.00 N ATOM 1301 CA ALA A 83 64.624 -9.116 9.031 1.00 0.00 C ATOM 1302 C ALA A 83 63.153 -9.215 9.437 1.00 0.00 C ATOM 1303 O ALA A 83 62.703 -10.226 9.938 1.00 0.00 O ATOM 1304 CB ALA A 83 65.402 -8.308 10.077 1.00 0.00 C ATOM 1305 HA ALA A 83 65.040 -10.121 8.965 1.00 0.00 H ATOM 1306 HB1 ALA A 83 66.450 -8.249 9.783 1.00 0.00 H ATOM 1307 HB2 ALA A 83 64.984 -7.303 10.143 1.00 0.00 H ATOM 1308 HB3 ALA A 83 65.323 -8.800 11.047 1.00 0.00 H ATOM 1309 H ALA A 83 65.139 -7.483 7.650 1.00 0.00 H ATOM 1310 N CYS A 84 62.403 -8.171 9.228 1.00 0.00 N ATOM 1311 CA CYS A 84 60.964 -8.207 9.606 1.00 0.00 C ATOM 1312 C CYS A 84 60.264 -9.315 8.814 1.00 0.00 C ATOM 1313 O CYS A 84 59.433 -10.031 9.330 1.00 0.00 O ATOM 1314 CB CYS A 84 60.310 -6.862 9.277 1.00 0.00 C ATOM 1315 SG CYS A 84 58.655 -6.794 10.008 1.00 0.00 S ATOM 1316 HA CYS A 84 60.874 -8.401 10.675 1.00 0.00 H ATOM 1317 HB2 CYS A 84 60.234 -6.751 8.195 1.00 0.00 H ATOM 1318 HB3 CYS A 84 60.919 -6.054 9.682 1.00 0.00 H ATOM 1319 HG CYS A 84 58.071 -5.580 9.708 1.00 0.00 H ATOM 1320 H CYS A 84 62.808 -7.315 8.798 1.00 0.00 H ATOM 1321 N HIS A 85 60.598 -9.463 7.558 1.00 0.00 N ATOM 1322 CA HIS A 85 59.950 -10.526 6.739 1.00 0.00 C ATOM 1323 C HIS A 85 60.237 -11.898 7.357 1.00 0.00 C ATOM 1324 O HIS A 85 59.395 -12.775 7.368 1.00 0.00 O ATOM 1325 CB HIS A 85 60.487 -10.484 5.307 1.00 0.00 C ATOM 1326 CG HIS A 85 59.821 -11.565 4.501 1.00 0.00 C ATOM 1327 ND1 HIS A 85 60.400 -12.815 4.324 1.00 0.00 N ATOM 1328 CD2 HIS A 85 58.620 -11.612 3.838 1.00 0.00 C ATOM 1329 CE1 HIS A 85 59.552 -13.553 3.583 1.00 0.00 C ATOM 1330 NE2 HIS A 85 58.456 -12.866 3.262 1.00 0.00 N ATOM 1331 HA HIS A 85 58.874 -10.355 6.720 1.00 0.00 H ATOM 1332 HB2 HIS A 85 60.271 -9.512 4.864 1.00 0.00 H ATOM 1333 HB3 HIS A 85 61.565 -10.646 5.316 1.00 0.00 H ATOM 1334 HD2 HIS A 85 57.905 -10.792 3.773 1.00 0.00 H ATOM 1335 HE1 HIS A 85 59.739 -14.584 3.283 1.00 0.00 H ATOM 1336 H HIS A 85 61.314 -8.840 7.132 1.00 0.00 H ATOM 1337 N GLU A 86 61.422 -12.092 7.867 1.00 0.00 N ATOM 1338 CA GLU A 86 61.764 -13.407 8.476 1.00 0.00 C ATOM 1339 C GLU A 86 60.763 -13.705 9.594 1.00 0.00 C ATOM 1340 O GLU A 86 60.442 -14.845 9.863 1.00 0.00 O ATOM 1341 CB GLU A 86 63.186 -13.363 9.047 1.00 0.00 C ATOM 1342 CG GLU A 86 63.582 -14.752 9.565 1.00 0.00 C ATOM 1343 CD GLU A 86 63.768 -15.705 8.385 1.00 0.00 C ATOM 1344 OE1 GLU A 86 63.951 -15.219 7.282 1.00 0.00 O ATOM 1345 OE2 GLU A 86 63.722 -16.904 8.605 1.00 0.00 O ATOM 1346 HA GLU A 86 61.716 -14.189 7.719 1.00 0.00 H ATOM 1347 HB2 GLU A 86 63.881 -13.057 8.265 1.00 0.00 H ATOM 1348 HB3 GLU A 86 63.225 -12.646 9.867 1.00 0.00 H ATOM 1349 HG2 GLU A 86 64.515 -14.679 10.123 1.00 0.00 H ATOM 1350 HG3 GLU A 86 62.798 -15.133 10.219 1.00 0.00 H ATOM 1351 H GLU A 86 62.128 -11.328 7.848 1.00 0.00 H ATOM 1352 N PHE A 87 60.263 -12.692 10.245 1.00 0.00 N ATOM 1353 CA PHE A 87 59.279 -12.927 11.343 1.00 0.00 C ATOM 1354 C PHE A 87 58.156 -13.828 10.832 1.00 0.00 C ATOM 1355 O PHE A 87 57.599 -14.622 11.566 1.00 0.00 O ATOM 1356 CB PHE A 87 58.681 -11.594 11.803 1.00 0.00 C ATOM 1357 CG PHE A 87 57.674 -11.847 12.898 1.00 0.00 C ATOM 1358 CD1 PHE A 87 56.330 -12.075 12.571 1.00 0.00 C ATOM 1359 CD2 PHE A 87 58.081 -11.855 14.238 1.00 0.00 C ATOM 1360 CE1 PHE A 87 55.394 -12.309 13.582 1.00 0.00 C ATOM 1361 CE2 PHE A 87 57.145 -12.088 15.250 1.00 0.00 C ATOM 1362 CZ PHE A 87 55.800 -12.315 14.923 1.00 0.00 C ATOM 1363 HA PHE A 87 59.787 -13.404 12.181 1.00 0.00 H ATOM 1364 HB2 PHE A 87 59.475 -10.950 12.181 1.00 0.00 H ATOM 1365 HB3 PHE A 87 58.189 -11.106 10.962 1.00 0.00 H ATOM 1366 HD2 PHE A 87 59.126 -11.680 14.492 1.00 0.00 H ATOM 1367 HE2 PHE A 87 57.460 -12.093 16.293 1.00 0.00 H ATOM 1368 HZ PHE A 87 55.070 -12.496 15.712 1.00 0.00 H ATOM 1369 HE1 PHE A 87 54.349 -12.487 13.328 1.00 0.00 H ATOM 1370 HD1 PHE A 87 56.015 -12.070 11.528 1.00 0.00 H ATOM 1371 H PHE A 87 60.549 -11.723 10.000 1.00 0.00 H ATOM 1372 N PHE A 88 57.820 -13.717 9.577 1.00 0.00 N ATOM 1373 CA PHE A 88 56.741 -14.567 9.013 1.00 0.00 C ATOM 1374 C PHE A 88 57.343 -15.885 8.549 1.00 0.00 C ATOM 1375 O PHE A 88 58.164 -15.934 7.654 1.00 0.00 O ATOM 1376 CB PHE A 88 56.091 -13.863 7.819 1.00 0.00 C ATOM 1377 CG PHE A 88 55.254 -12.704 8.300 1.00 0.00 C ATOM 1378 CD1 PHE A 88 53.908 -12.905 8.628 1.00 0.00 C ATOM 1379 CD2 PHE A 88 55.821 -11.430 8.416 1.00 0.00 C ATOM 1380 CE1 PHE A 88 53.128 -11.831 9.072 1.00 0.00 C ATOM 1381 CE2 PHE A 88 55.040 -10.356 8.858 1.00 0.00 C ATOM 1382 CZ PHE A 88 53.694 -10.556 9.187 1.00 0.00 C ATOM 1383 HA PHE A 88 55.985 -14.747 9.777 1.00 0.00 H ATOM 1384 HB2 PHE A 88 56.868 -13.495 7.149 1.00 0.00 H ATOM 1385 HB3 PHE A 88 55.457 -14.570 7.284 1.00 0.00 H ATOM 1386 HD2 PHE A 88 56.870 -11.274 8.162 1.00 0.00 H ATOM 1387 HE2 PHE A 88 55.480 -9.363 8.946 1.00 0.00 H ATOM 1388 HZ PHE A 88 53.087 -9.719 9.533 1.00 0.00 H ATOM 1389 HE1 PHE A 88 52.080 -11.987 9.328 1.00 0.00 H ATOM 1390 HD1 PHE A 88 53.467 -13.898 8.538 1.00 0.00 H ATOM 1391 H PHE A 88 58.310 -13.030 8.969 1.00 0.00 H ATOM 1392 N GLU A 89 56.931 -16.955 9.156 1.00 0.00 N ATOM 1393 CA GLU A 89 57.452 -18.297 8.779 1.00 0.00 C ATOM 1394 C GLU A 89 56.442 -18.979 7.861 1.00 0.00 C ATOM 1395 O GLU A 89 55.578 -18.349 7.284 1.00 0.00 O ATOM 1396 CB GLU A 89 57.647 -19.145 10.039 1.00 0.00 C ATOM 1397 CG GLU A 89 58.708 -18.496 10.933 1.00 0.00 C ATOM 1398 CD GLU A 89 58.906 -19.338 12.193 1.00 0.00 C ATOM 1399 OE1 GLU A 89 58.115 -20.241 12.409 1.00 0.00 O ATOM 1400 OE2 GLU A 89 59.844 -19.062 12.923 1.00 0.00 O ATOM 1401 HA GLU A 89 58.408 -18.190 8.266 1.00 0.00 H ATOM 1402 HB2 GLU A 89 56.704 -19.211 10.582 1.00 0.00 H ATOM 1403 HB3 GLU A 89 57.973 -20.146 9.757 1.00 0.00 H ATOM 1404 HG2 GLU A 89 59.650 -18.431 10.389 1.00 0.00 H ATOM 1405 HG3 GLU A 89 58.382 -17.494 11.214 1.00 0.00 H ATOM 1406 H GLU A 89 56.227 -16.874 9.917 1.00 0.00 H ATOM 1407 N HIS A 90 56.549 -20.263 7.723 1.00 0.00 N ATOM 1408 CA HIS A 90 55.605 -21.005 6.846 1.00 0.00 C ATOM 1409 C HIS A 90 54.173 -20.813 7.355 1.00 0.00 C ATOM 1410 O HIS A 90 53.247 -20.647 6.587 1.00 0.00 O ATOM 1411 CB HIS A 90 55.962 -22.492 6.862 1.00 0.00 C ATOM 1412 CG HIS A 90 57.257 -22.716 6.128 1.00 0.00 C ATOM 1413 ND1 HIS A 90 58.475 -22.811 6.787 1.00 0.00 N ATOM 1414 CD2 HIS A 90 57.539 -22.884 4.793 1.00 0.00 C ATOM 1415 CE1 HIS A 90 59.424 -23.033 5.858 1.00 0.00 C ATOM 1416 NE2 HIS A 90 58.905 -23.086 4.630 1.00 0.00 N ATOM 1417 HA HIS A 90 55.678 -20.625 5.827 1.00 0.00 H ATOM 1418 HB2 HIS A 90 56.068 -22.827 7.894 1.00 0.00 H ATOM 1419 HB3 HIS A 90 55.168 -23.060 6.377 1.00 0.00 H ATOM 1420 HD2 HIS A 90 56.805 -22.862 3.987 1.00 0.00 H ATOM 1421 HE1 HIS A 90 60.484 -23.154 6.081 1.00 0.00 H ATOM 1422 H HIS A 90 57.299 -20.777 8.228 1.00 0.00 H ATOM 1423 N GLU A 91 53.988 -20.836 8.646 1.00 0.00 N ATOM 1424 CA GLU A 91 52.618 -20.656 9.203 1.00 0.00 C ATOM 1425 C GLU A 91 52.227 -19.180 9.120 1.00 0.00 C ATOM 1426 O GLU A 91 51.182 -18.834 9.645 1.00 0.00 O ATOM 1427 CB GLU A 91 52.583 -21.116 10.668 1.00 0.00 C ATOM 1428 CG GLU A 91 53.593 -20.313 11.498 1.00 0.00 C ATOM 1429 CD GLU A 91 53.543 -20.788 12.955 1.00 0.00 C ATOM 1430 OE1 GLU A 91 52.598 -21.475 13.300 1.00 0.00 O ATOM 1431 OE2 GLU A 91 54.447 -20.449 13.702 1.00 0.00 O ATOM 1432 HA GLU A 91 51.914 -21.255 8.625 1.00 0.00 H ATOM 1433 OXT GLU A 91 52.979 -18.420 8.532 1.00 0.00 O ATOM 1434 HB2 GLU A 91 51.582 -20.962 11.071 1.00 0.00 H ATOM 1435 HB3 GLU A 91 52.835 -22.175 10.720 1.00 0.00 H ATOM 1436 HG2 GLU A 91 54.596 -20.466 11.099 1.00 0.00 H ATOM 1437 HG3 GLU A 91 53.342 -19.253 11.451 1.00 0.00 H ATOM 1438 H GLU A 91 54.796 -20.980 9.285 1.00 0.00 H TER 1439 GLU A 91 ATOM 1440 N SER B 1 55.627 8.688 12.135 1.00 0.00 N ATOM 1441 CA SER B 1 56.221 7.335 11.971 1.00 0.00 C ATOM 1442 C SER B 1 55.634 6.660 10.728 1.00 0.00 C ATOM 1443 O SER B 1 55.219 5.520 10.772 1.00 0.00 O ATOM 1444 CB SER B 1 55.907 6.488 13.205 1.00 0.00 C ATOM 1445 OG SER B 1 54.578 5.999 13.112 1.00 0.00 O ATOM 1446 HA SER B 1 57.301 7.427 11.856 1.00 0.00 H ATOM 1447 HB2 SER B 1 56.009 7.099 14.102 1.00 0.00 H ATOM 1448 HB3 SER B 1 56.601 5.649 13.258 1.00 0.00 H ATOM 1449 HG SER B 1 54.488 5.444 12.297 1.00 0.00 H ATOM 1450 HN3 SER B 1 54.596 8.602 12.243 1.00 0.00 H ATOM 1451 HN2 SER B 1 55.842 9.264 11.296 1.00 0.00 H ATOM 1452 HN1 SER B 1 56.029 9.142 12.980 1.00 0.00 H ATOM 1453 N GLU B 2 55.595 7.350 9.618 1.00 0.00 N ATOM 1454 CA GLU B 2 55.038 6.738 8.380 1.00 0.00 C ATOM 1455 C GLU B 2 55.854 5.509 7.996 1.00 0.00 C ATOM 1456 O GLU B 2 55.326 4.534 7.505 1.00 0.00 O ATOM 1457 CB GLU B 2 55.053 7.756 7.244 1.00 0.00 C ATOM 1458 CG GLU B 2 54.005 8.828 7.536 1.00 0.00 C ATOM 1459 CD GLU B 2 53.999 9.869 6.413 1.00 0.00 C ATOM 1460 OE1 GLU B 2 54.881 9.810 5.573 1.00 0.00 O ATOM 1461 OE2 GLU B 2 53.111 10.705 6.413 1.00 0.00 O ATOM 1462 HA GLU B 2 54.008 6.433 8.565 1.00 0.00 H ATOM 1463 HB2 GLU B 2 56.039 8.215 7.175 1.00 0.00 H ATOM 1464 HB3 GLU B 2 54.818 7.259 6.302 1.00 0.00 H ATOM 1465 HG2 GLU B 2 53.021 8.363 7.604 1.00 0.00 H ATOM 1466 HG3 GLU B 2 54.241 9.317 8.481 1.00 0.00 H ATOM 1467 H GLU B 2 55.953 8.326 9.600 1.00 0.00 H ATOM 1468 N LEU B 3 57.139 5.535 8.217 1.00 0.00 N ATOM 1469 CA LEU B 3 57.966 4.351 7.856 1.00 0.00 C ATOM 1470 C LEU B 3 57.301 3.095 8.415 1.00 0.00 C ATOM 1471 O LEU B 3 57.529 1.995 7.951 1.00 0.00 O ATOM 1472 CB LEU B 3 59.364 4.482 8.477 1.00 0.00 C ATOM 1473 CG LEU B 3 60.329 3.453 7.831 1.00 0.00 C ATOM 1474 CD1 LEU B 3 61.068 4.093 6.650 1.00 0.00 C ATOM 1475 CD2 LEU B 3 61.354 2.962 8.867 1.00 0.00 C ATOM 1476 HA LEU B 3 58.052 4.289 6.771 1.00 0.00 H ATOM 1477 HB2 LEU B 3 59.743 5.490 8.306 1.00 0.00 H ATOM 1478 HB3 LEU B 3 59.302 4.296 9.549 1.00 0.00 H ATOM 1479 HG LEU B 3 59.743 2.606 7.475 1.00 0.00 H ATOM 1480 HD21 LEU B 3 61.931 3.810 9.236 1.00 0.00 H ATOM 1481 HD22 LEU B 3 60.831 2.488 9.698 1.00 0.00 H ATOM 1482 HD23 LEU B 3 62.024 2.241 8.399 1.00 0.00 H ATOM 1483 HD11 LEU B 3 60.344 4.422 5.905 1.00 0.00 H ATOM 1484 HD12 LEU B 3 61.642 4.950 7.003 1.00 0.00 H ATOM 1485 HD13 LEU B 3 61.742 3.361 6.205 1.00 0.00 H ATOM 1486 H LEU B 3 57.582 6.375 8.641 1.00 0.00 H ATOM 1487 N GLU B 4 56.480 3.259 9.413 1.00 0.00 N ATOM 1488 CA GLU B 4 55.796 2.084 10.015 1.00 0.00 C ATOM 1489 C GLU B 4 54.782 1.516 9.022 1.00 0.00 C ATOM 1490 O GLU B 4 54.864 0.375 8.628 1.00 0.00 O ATOM 1491 CB GLU B 4 55.079 2.526 11.290 1.00 0.00 C ATOM 1492 CG GLU B 4 54.411 1.320 11.957 1.00 0.00 C ATOM 1493 CD GLU B 4 53.717 1.776 13.241 1.00 0.00 C ATOM 1494 OE1 GLU B 4 53.938 2.907 13.640 1.00 0.00 O ATOM 1495 OE2 GLU B 4 52.972 0.990 13.801 1.00 0.00 O ATOM 1496 HA GLU B 4 56.528 1.313 10.255 1.00 0.00 H ATOM 1497 HB2 GLU B 4 55.802 2.965 11.978 1.00 0.00 H ATOM 1498 HB3 GLU B 4 54.320 3.267 11.040 1.00 0.00 H ATOM 1499 HG2 GLU B 4 53.675 0.889 11.278 1.00 0.00 H ATOM 1500 HG3 GLU B 4 55.166 0.571 12.196 1.00 0.00 H ATOM 1501 H GLU B 4 56.303 4.212 9.789 1.00 0.00 H ATOM 1502 N LYS B 5 53.829 2.304 8.610 1.00 0.00 N ATOM 1503 CA LYS B 5 52.816 1.800 7.637 1.00 0.00 C ATOM 1504 C LYS B 5 53.475 1.597 6.269 1.00 0.00 C ATOM 1505 O LYS B 5 53.126 0.700 5.526 1.00 0.00 O ATOM 1506 CB LYS B 5 51.647 2.805 7.536 1.00 0.00 C ATOM 1507 CG LYS B 5 52.079 4.104 6.801 1.00 0.00 C ATOM 1508 CD LYS B 5 51.622 4.076 5.333 1.00 0.00 C ATOM 1509 CE LYS B 5 52.271 5.238 4.578 1.00 0.00 C ATOM 1510 NZ LYS B 5 51.777 5.259 3.172 1.00 0.00 N ATOM 1511 HA LYS B 5 52.422 0.843 7.980 1.00 0.00 H ATOM 1512 HB2 LYS B 5 50.827 2.342 6.987 1.00 0.00 H ATOM 1513 HB3 LYS B 5 51.311 3.061 8.541 1.00 0.00 H ATOM 1514 HG2 LYS B 5 51.630 4.963 7.299 1.00 0.00 H ATOM 1515 HG3 LYS B 5 53.165 4.191 6.836 1.00 0.00 H ATOM 1516 HD2 LYS B 5 51.921 3.133 4.876 1.00 0.00 H ATOM 1517 HD3 LYS B 5 50.537 4.173 5.287 1.00 0.00 H ATOM 1518 HE2 LYS B 5 53.354 5.113 4.581 1.00 0.00 H ATOM 1519 HE3 LYS B 5 52.014 6.178 5.067 1.00 0.00 H ATOM 1520 HZ1 LYS B 5 52.024 4.363 2.706 1.00 0.00 H ATOM 1521 HZ2 LYS B 5 50.744 5.379 3.171 1.00 0.00 H ATOM 1522 HZ3 LYS B 5 52.220 6.050 2.662 1.00 0.00 H ATOM 1523 H LYS B 5 53.775 3.282 8.959 1.00 0.00 H ATOM 1524 N ALA B 6 54.427 2.418 5.925 1.00 0.00 N ATOM 1525 CA ALA B 6 55.094 2.257 4.606 1.00 0.00 C ATOM 1526 C ALA B 6 55.859 0.933 4.573 1.00 0.00 C ATOM 1527 O ALA B 6 55.843 0.226 3.586 1.00 0.00 O ATOM 1528 CB ALA B 6 56.065 3.416 4.374 1.00 0.00 C ATOM 1529 HA ALA B 6 54.339 2.257 3.820 1.00 0.00 H ATOM 1530 HB1 ALA B 6 55.516 4.357 4.389 1.00 0.00 H ATOM 1531 HB2 ALA B 6 56.818 3.421 5.162 1.00 0.00 H ATOM 1532 HB3 ALA B 6 56.551 3.293 3.406 1.00 0.00 H ATOM 1533 H ALA B 6 54.718 3.181 6.569 1.00 0.00 H ATOM 1534 N MET B 7 56.526 0.587 5.640 1.00 0.00 N ATOM 1535 CA MET B 7 57.283 -0.699 5.644 1.00 0.00 C ATOM 1536 C MET B 7 56.314 -1.857 5.420 1.00 0.00 C ATOM 1537 O MET B 7 56.608 -2.793 4.705 1.00 0.00 O ATOM 1538 CB MET B 7 58.018 -0.891 6.973 1.00 0.00 C ATOM 1539 CG MET B 7 58.890 -2.146 6.888 1.00 0.00 C ATOM 1540 SD MET B 7 59.806 -2.357 8.437 1.00 0.00 S ATOM 1541 CE MET B 7 60.964 -0.976 8.230 1.00 0.00 C ATOM 1542 HA MET B 7 58.021 -0.674 4.842 1.00 0.00 H ATOM 1543 HB2 MET B 7 58.646 -0.023 7.171 1.00 0.00 H ATOM 1544 HB3 MET B 7 57.292 -1.005 7.778 1.00 0.00 H ATOM 1545 HG2 MET B 7 59.593 -2.044 6.062 1.00 0.00 H ATOM 1546 HG3 MET B 7 58.257 -3.017 6.719 1.00 0.00 H ATOM 1547 HE1 MET B 7 61.551 -1.128 7.324 1.00 0.00 H ATOM 1548 HE2 MET B 7 60.405 -0.044 8.150 1.00 0.00 H ATOM 1549 HE3 MET B 7 61.629 -0.929 9.092 1.00 0.00 H ATOM 1550 H MET B 7 56.530 1.201 6.479 1.00 0.00 H ATOM 1551 N VAL B 8 55.159 -1.802 6.025 1.00 0.00 N ATOM 1552 CA VAL B 8 54.174 -2.897 5.832 1.00 0.00 C ATOM 1553 C VAL B 8 53.841 -2.972 4.353 1.00 0.00 C ATOM 1554 O VAL B 8 53.714 -4.034 3.778 1.00 0.00 O ATOM 1555 CB VAL B 8 52.904 -2.582 6.619 1.00 0.00 C ATOM 1556 CG1 VAL B 8 51.870 -3.687 6.408 1.00 0.00 C ATOM 1557 CG2 VAL B 8 53.251 -2.478 8.098 1.00 0.00 C ATOM 1558 HA VAL B 8 54.585 -3.844 6.181 1.00 0.00 H ATOM 1559 HB VAL B 8 52.484 -1.638 6.271 1.00 0.00 H ATOM 1560 HG11 VAL B 8 51.627 -3.758 5.348 1.00 0.00 H ATOM 1561 HG12 VAL B 8 52.280 -4.637 6.752 1.00 0.00 H ATOM 1562 HG13 VAL B 8 50.968 -3.452 6.974 1.00 0.00 H ATOM 1563 HG21 VAL B 8 53.670 -3.425 8.439 1.00 0.00 H ATOM 1564 HG22 VAL B 8 53.981 -1.682 8.243 1.00 0.00 H ATOM 1565 HG23 VAL B 8 52.349 -2.253 8.667 1.00 0.00 H ATOM 1566 H VAL B 8 54.929 -0.995 6.640 1.00 0.00 H ATOM 1567 N ALA B 9 53.705 -1.838 3.737 1.00 0.00 N ATOM 1568 CA ALA B 9 53.385 -1.815 2.287 1.00 0.00 C ATOM 1569 C ALA B 9 54.528 -2.469 1.504 1.00 0.00 C ATOM 1570 O ALA B 9 54.305 -3.283 0.631 1.00 0.00 O ATOM 1571 CB ALA B 9 53.198 -0.367 1.826 1.00 0.00 C ATOM 1572 HA ALA B 9 52.463 -2.368 2.107 1.00 0.00 H ATOM 1573 HB1 ALA B 9 52.381 0.088 2.385 1.00 0.00 H ATOM 1574 HB2 ALA B 9 54.117 0.191 2.004 1.00 0.00 H ATOM 1575 HB3 ALA B 9 52.963 -0.353 0.762 1.00 0.00 H ATOM 1576 H ALA B 9 53.820 -0.946 4.259 1.00 0.00 H ATOM 1577 N LEU B 10 55.753 -2.130 1.809 1.00 0.00 N ATOM 1578 CA LEU B 10 56.896 -2.747 1.070 1.00 0.00 C ATOM 1579 C LEU B 10 56.898 -4.265 1.299 1.00 0.00 C ATOM 1580 O LEU B 10 57.130 -5.036 0.388 1.00 0.00 O ATOM 1581 CB LEU B 10 58.225 -2.127 1.560 1.00 0.00 C ATOM 1582 CG LEU B 10 58.617 -0.939 0.665 1.00 0.00 C ATOM 1583 CD1 LEU B 10 57.526 0.133 0.726 1.00 0.00 C ATOM 1584 CD2 LEU B 10 59.942 -0.342 1.158 1.00 0.00 C ATOM 1585 HA LEU B 10 56.789 -2.553 0.003 1.00 0.00 H ATOM 1586 HB2 LEU B 10 58.105 -1.781 2.587 1.00 0.00 H ATOM 1587 HB3 LEU B 10 59.011 -2.882 1.522 1.00 0.00 H ATOM 1588 HG LEU B 10 58.731 -1.284 -0.363 1.00 0.00 H ATOM 1589 HD21 LEU B 10 59.825 0.000 2.186 1.00 0.00 H ATOM 1590 HD22 LEU B 10 60.721 -1.103 1.114 1.00 0.00 H ATOM 1591 HD23 LEU B 10 60.218 0.500 0.523 1.00 0.00 H ATOM 1592 HD11 LEU B 10 56.584 -0.289 0.376 1.00 0.00 H ATOM 1593 HD12 LEU B 10 57.412 0.476 1.754 1.00 0.00 H ATOM 1594 HD13 LEU B 10 57.808 0.973 0.091 1.00 0.00 H ATOM 1595 H LEU B 10 55.931 -1.435 2.562 1.00 0.00 H ATOM 1596 N ILE B 11 56.638 -4.705 2.499 1.00 0.00 N ATOM 1597 CA ILE B 11 56.627 -6.173 2.754 1.00 0.00 C ATOM 1598 C ILE B 11 55.522 -6.813 1.913 1.00 0.00 C ATOM 1599 O ILE B 11 55.691 -7.869 1.339 1.00 0.00 O ATOM 1600 CB ILE B 11 56.382 -6.433 4.244 1.00 0.00 C ATOM 1601 CG1 ILE B 11 57.573 -5.895 5.042 1.00 0.00 C ATOM 1602 CG2 ILE B 11 56.241 -7.938 4.497 1.00 0.00 C ATOM 1603 CD1 ILE B 11 57.244 -5.917 6.537 1.00 0.00 C ATOM 1604 HA ILE B 11 57.587 -6.609 2.478 1.00 0.00 H ATOM 1605 HB ILE B 11 55.465 -5.933 4.554 1.00 0.00 H ATOM 1606 HG12 ILE B 11 58.447 -6.518 4.854 1.00 0.00 H ATOM 1607 HG13 ILE B 11 57.785 -4.872 4.732 1.00 0.00 H ATOM 1608 HD11 ILE B 11 56.371 -5.293 6.725 1.00 0.00 H ATOM 1609 HD12 ILE B 11 57.034 -6.941 6.846 1.00 0.00 H ATOM 1610 HD13 ILE B 11 58.094 -5.533 7.101 1.00 0.00 H ATOM 1611 HG21 ILE B 11 55.400 -8.325 3.922 1.00 0.00 H ATOM 1612 HG22 ILE B 11 57.156 -8.444 4.190 1.00 0.00 H ATOM 1613 HG23 ILE B 11 56.067 -8.112 5.559 1.00 0.00 H ATOM 1614 H ILE B 11 56.440 -4.037 3.271 1.00 0.00 H ATOM 1615 N ASP B 12 54.392 -6.175 1.821 1.00 0.00 N ATOM 1616 CA ASP B 12 53.289 -6.744 1.002 1.00 0.00 C ATOM 1617 C ASP B 12 53.661 -6.659 -0.476 1.00 0.00 C ATOM 1618 O ASP B 12 53.415 -7.572 -1.239 1.00 0.00 O ATOM 1619 CB ASP B 12 51.994 -5.973 1.257 1.00 0.00 C ATOM 1620 CG ASP B 12 51.488 -6.275 2.666 1.00 0.00 C ATOM 1621 OD1 ASP B 12 51.764 -7.358 3.154 1.00 0.00 O ATOM 1622 OD2 ASP B 12 50.827 -5.419 3.231 1.00 0.00 O ATOM 1623 HA ASP B 12 53.136 -7.787 1.279 1.00 0.00 H ATOM 1624 HB2 ASP B 12 52.183 -4.904 1.160 1.00 0.00 H ATOM 1625 HB3 ASP B 12 51.242 -6.275 0.528 1.00 0.00 H ATOM 1626 H ASP B 12 54.261 -5.271 2.318 1.00 0.00 H ATOM 1627 N VAL B 13 54.269 -5.576 -0.881 1.00 0.00 N ATOM 1628 CA VAL B 13 54.671 -5.439 -2.311 1.00 0.00 C ATOM 1629 C VAL B 13 55.604 -6.604 -2.650 1.00 0.00 C ATOM 1630 O VAL B 13 55.578 -7.138 -3.738 1.00 0.00 O ATOM 1631 CB VAL B 13 55.408 -4.101 -2.526 1.00 0.00 C ATOM 1632 CG1 VAL B 13 56.129 -4.101 -3.877 1.00 0.00 C ATOM 1633 CG2 VAL B 13 54.401 -2.951 -2.522 1.00 0.00 C ATOM 1634 HA VAL B 13 53.791 -5.454 -2.954 1.00 0.00 H ATOM 1635 HB VAL B 13 56.132 -3.976 -1.721 1.00 0.00 H ATOM 1636 HG11 VAL B 13 56.854 -4.915 -3.900 1.00 0.00 H ATOM 1637 HG12 VAL B 13 55.401 -4.239 -4.676 1.00 0.00 H ATOM 1638 HG13 VAL B 13 56.644 -3.150 -4.013 1.00 0.00 H ATOM 1639 HG21 VAL B 13 53.679 -3.099 -3.325 1.00 0.00 H ATOM 1640 HG22 VAL B 13 53.882 -2.928 -1.564 1.00 0.00 H ATOM 1641 HG23 VAL B 13 54.927 -2.009 -2.674 1.00 0.00 H ATOM 1642 H VAL B 13 54.473 -4.810 -0.207 1.00 0.00 H ATOM 1643 N PHE B 14 56.429 -6.995 -1.727 1.00 0.00 N ATOM 1644 CA PHE B 14 57.370 -8.112 -1.995 1.00 0.00 C ATOM 1645 C PHE B 14 56.588 -9.361 -2.424 1.00 0.00 C ATOM 1646 O PHE B 14 56.904 -9.993 -3.410 1.00 0.00 O ATOM 1647 CB PHE B 14 58.148 -8.409 -0.711 1.00 0.00 C ATOM 1648 CG PHE B 14 59.045 -9.610 -0.915 1.00 0.00 C ATOM 1649 CD1 PHE B 14 60.055 -9.574 -1.888 1.00 0.00 C ATOM 1650 CD2 PHE B 14 58.868 -10.761 -0.131 1.00 0.00 C ATOM 1651 CE1 PHE B 14 60.884 -10.684 -2.074 1.00 0.00 C ATOM 1652 CE2 PHE B 14 59.699 -11.869 -0.319 1.00 0.00 C ATOM 1653 CZ PHE B 14 60.707 -11.830 -1.291 1.00 0.00 C ATOM 1654 HA PHE B 14 58.057 -7.836 -2.795 1.00 0.00 H ATOM 1655 HB2 PHE B 14 58.757 -7.544 -0.449 1.00 0.00 H ATOM 1656 HB3 PHE B 14 57.446 -8.615 0.097 1.00 0.00 H ATOM 1657 HD2 PHE B 14 58.083 -10.791 0.624 1.00 0.00 H ATOM 1658 HE2 PHE B 14 59.563 -12.763 0.290 1.00 0.00 H ATOM 1659 HZ PHE B 14 61.355 -12.694 -1.438 1.00 0.00 H ATOM 1660 HE1 PHE B 14 61.669 -10.657 -2.830 1.00 0.00 H ATOM 1661 HD1 PHE B 14 60.193 -8.681 -2.498 1.00 0.00 H ATOM 1662 H PHE B 14 56.431 -6.525 -0.799 1.00 0.00 H ATOM 1663 N HIS B 15 55.579 -9.727 -1.692 1.00 0.00 N ATOM 1664 CA HIS B 15 54.787 -10.944 -2.058 1.00 0.00 C ATOM 1665 C HIS B 15 53.767 -10.636 -3.158 1.00 0.00 C ATOM 1666 O HIS B 15 53.289 -11.528 -3.832 1.00 0.00 O ATOM 1667 CB HIS B 15 54.042 -11.452 -0.828 1.00 0.00 C ATOM 1668 CG HIS B 15 55.026 -11.991 0.177 1.00 0.00 C ATOM 1669 ND1 HIS B 15 54.798 -11.904 1.542 1.00 0.00 N ATOM 1670 CD2 HIS B 15 56.241 -12.628 0.040 1.00 0.00 C ATOM 1671 CE1 HIS B 15 55.848 -12.471 2.167 1.00 0.00 C ATOM 1672 NE2 HIS B 15 56.751 -12.926 1.296 1.00 0.00 N ATOM 1673 HA HIS B 15 55.481 -11.699 -2.427 1.00 0.00 H ATOM 1674 HB2 HIS B 15 53.480 -10.632 -0.381 1.00 0.00 H ATOM 1675 HB3 HIS B 15 53.354 -12.245 -1.123 1.00 0.00 H ATOM 1676 HD2 HIS B 15 56.726 -12.861 -0.908 1.00 0.00 H ATOM 1677 HE1 HIS B 15 55.948 -12.549 3.250 1.00 0.00 H ATOM 1678 H HIS B 15 55.321 -9.174 -0.850 1.00 0.00 H ATOM 1679 N GLN B 16 53.391 -9.400 -3.315 1.00 0.00 N ATOM 1680 CA GLN B 16 52.355 -9.065 -4.334 1.00 0.00 C ATOM 1681 C GLN B 16 52.797 -9.461 -5.747 1.00 0.00 C ATOM 1682 O GLN B 16 52.003 -9.966 -6.514 1.00 0.00 O ATOM 1683 CB GLN B 16 52.088 -7.555 -4.300 1.00 0.00 C ATOM 1684 CG GLN B 16 50.879 -7.212 -5.176 1.00 0.00 C ATOM 1685 CD GLN B 16 49.612 -7.803 -4.561 1.00 0.00 C ATOM 1686 OE1 GLN B 16 49.202 -7.409 -3.489 1.00 0.00 O ATOM 1687 NE2 GLN B 16 48.969 -8.737 -5.203 1.00 0.00 N ATOM 1688 HA GLN B 16 51.452 -9.625 -4.092 1.00 0.00 H ATOM 1689 HB2 GLN B 16 51.888 -7.247 -3.274 1.00 0.00 H ATOM 1690 HB3 GLN B 16 52.965 -7.025 -4.673 1.00 0.00 H ATOM 1691 HG2 GLN B 16 50.777 -6.129 -5.245 1.00 0.00 H ATOM 1692 HG3 GLN B 16 51.025 -7.626 -6.174 1.00 0.00 H ATOM 1693 HE22 GLN B 16 49.322 -9.074 -6.122 1.00 0.00 H ATOM 1694 HE21 GLN B 16 48.103 -9.146 -4.797 1.00 0.00 H ATOM 1695 H GLN B 16 53.812 -8.649 -2.732 1.00 0.00 H ATOM 1696 N TYR B 17 54.033 -9.221 -6.117 1.00 0.00 N ATOM 1697 CA TYR B 17 54.479 -9.572 -7.511 1.00 0.00 C ATOM 1698 C TYR B 17 55.459 -10.752 -7.497 1.00 0.00 C ATOM 1699 O TYR B 17 55.537 -11.513 -8.441 1.00 0.00 O ATOM 1700 CB TYR B 17 55.155 -8.353 -8.150 1.00 0.00 C ATOM 1701 CG TYR B 17 56.524 -8.130 -7.551 1.00 0.00 C ATOM 1702 CD1 TYR B 17 57.641 -8.748 -8.122 1.00 0.00 C ATOM 1703 CD2 TYR B 17 56.677 -7.297 -6.443 1.00 0.00 C ATOM 1704 CE1 TYR B 17 58.912 -8.532 -7.581 1.00 0.00 C ATOM 1705 CE2 TYR B 17 57.947 -7.083 -5.899 1.00 0.00 C ATOM 1706 CZ TYR B 17 59.065 -7.702 -6.468 1.00 0.00 C ATOM 1707 OH TYR B 17 60.315 -7.489 -5.936 1.00 0.00 O ATOM 1708 HA TYR B 17 53.603 -9.862 -8.091 1.00 0.00 H ATOM 1709 HB3 TYR B 17 54.540 -7.470 -7.977 1.00 0.00 H ATOM 1710 HB2 TYR B 17 55.256 -8.520 -9.222 1.00 0.00 H ATOM 1711 HD2 TYR B 17 55.806 -6.813 -6.001 1.00 0.00 H ATOM 1712 HE2 TYR B 17 58.066 -6.434 -5.032 1.00 0.00 H ATOM 1713 HE1 TYR B 17 59.783 -9.011 -8.028 1.00 0.00 H ATOM 1714 HD1 TYR B 17 57.521 -9.398 -8.989 1.00 0.00 H ATOM 1715 HH TYR B 17 60.985 -7.999 -6.456 1.00 0.00 H ATOM 1716 H TYR B 17 54.703 -8.789 -5.449 1.00 0.00 H ATOM 1717 N SER B 18 56.233 -10.889 -6.457 1.00 0.00 N ATOM 1718 CA SER B 18 57.235 -11.999 -6.413 1.00 0.00 C ATOM 1719 C SER B 18 56.544 -13.362 -6.471 1.00 0.00 C ATOM 1720 O SER B 18 56.998 -14.267 -7.141 1.00 0.00 O ATOM 1721 CB SER B 18 58.036 -11.904 -5.115 1.00 0.00 C ATOM 1722 OG SER B 18 57.206 -12.299 -4.029 1.00 0.00 O ATOM 1723 HA SER B 18 57.894 -11.903 -7.276 1.00 0.00 H ATOM 1724 HB2 SER B 18 58.370 -10.877 -4.966 1.00 0.00 H ATOM 1725 HB3 SER B 18 58.903 -12.562 -5.171 1.00 0.00 H ATOM 1726 HG SER B 18 56.419 -11.700 -3.981 1.00 0.00 H ATOM 1727 H SER B 18 56.154 -10.227 -5.659 1.00 0.00 H ATOM 1728 N GLY B 19 55.458 -13.522 -5.767 1.00 0.00 N ATOM 1729 CA GLY B 19 54.746 -14.834 -5.771 1.00 0.00 C ATOM 1730 C GLY B 19 53.705 -14.858 -6.886 1.00 0.00 C ATOM 1731 O GLY B 19 52.844 -15.715 -6.920 1.00 0.00 O ATOM 1732 HA3 GLY B 19 54.251 -14.979 -4.811 1.00 0.00 H ATOM 1733 HA2 GLY B 19 55.467 -15.636 -5.932 1.00 0.00 H ATOM 1734 H GLY B 19 55.087 -12.733 -5.201 1.00 0.00 H ATOM 1735 N ARG B 20 53.757 -13.925 -7.795 1.00 0.00 N ATOM 1736 CA ARG B 20 52.740 -13.920 -8.882 1.00 0.00 C ATOM 1737 C ARG B 20 52.967 -15.108 -9.808 1.00 0.00 C ATOM 1738 O ARG B 20 52.036 -15.777 -10.209 1.00 0.00 O ATOM 1739 CB ARG B 20 52.847 -12.622 -9.669 1.00 0.00 C ATOM 1740 CG ARG B 20 51.691 -12.523 -10.661 1.00 0.00 C ATOM 1741 CD ARG B 20 51.817 -11.212 -11.444 1.00 0.00 C ATOM 1742 NE ARG B 20 50.568 -10.972 -12.240 1.00 0.00 N ATOM 1743 CZ ARG B 20 50.105 -11.863 -13.078 1.00 0.00 C ATOM 1744 NH1 ARG B 20 50.823 -12.901 -13.415 1.00 0.00 N ATOM 1745 NH2 ARG B 20 48.940 -11.683 -13.630 1.00 0.00 N ATOM 1746 HA ARG B 20 51.744 -13.997 -8.446 1.00 0.00 H ATOM 1747 HB2 ARG B 20 52.808 -11.777 -8.981 1.00 0.00 H ATOM 1748 HB3 ARG B 20 53.792 -12.604 -10.211 1.00 0.00 H ATOM 1749 HG2 ARG B 20 51.728 -13.366 -11.351 1.00 0.00 H ATOM 1750 HG3 ARG B 20 50.744 -12.537 -10.122 1.00 0.00 H ATOM 1751 HD2 ARG B 20 52.670 -11.274 -12.119 1.00 0.00 H ATOM 1752 HD3 ARG B 20 51.966 -10.387 -10.747 1.00 0.00 H ATOM 1753 HE ARG B 20 50.057 -10.074 -12.122 1.00 0.00 H ATOM 1754 HH12 ARG B 20 50.443 -13.602 -14.082 1.00 0.00 H ATOM 1755 HH11 ARG B 20 51.775 -13.026 -13.016 1.00 0.00 H ATOM 1756 HH22 ARG B 20 48.566 -12.388 -14.297 1.00 0.00 H ATOM 1757 HH21 ARG B 20 48.383 -10.834 -13.404 1.00 0.00 H ATOM 1758 H ARG B 20 54.497 -13.196 -7.761 1.00 0.00 H ATOM 1759 N GLU B 21 54.196 -15.383 -10.148 1.00 0.00 N ATOM 1760 CA GLU B 21 54.471 -16.540 -11.044 1.00 0.00 C ATOM 1761 C GLU B 21 55.949 -16.934 -10.939 1.00 0.00 C ATOM 1762 O GLU B 21 56.792 -16.135 -10.583 1.00 0.00 O ATOM 1763 CB GLU B 21 54.138 -16.147 -12.489 1.00 0.00 C ATOM 1764 CG GLU B 21 54.170 -17.381 -13.402 1.00 0.00 C ATOM 1765 CD GLU B 21 53.059 -18.352 -13.001 1.00 0.00 C ATOM 1766 OE1 GLU B 21 52.124 -17.915 -12.349 1.00 0.00 O ATOM 1767 OE2 GLU B 21 53.160 -19.514 -13.356 1.00 0.00 O ATOM 1768 HA GLU B 21 53.856 -17.389 -10.747 1.00 0.00 H ATOM 1769 HB2 GLU B 21 53.143 -15.703 -12.520 1.00 0.00 H ATOM 1770 HB3 GLU B 21 54.870 -15.420 -12.841 1.00 0.00 H ATOM 1771 HG2 GLU B 21 54.023 -17.070 -14.436 1.00 0.00 H ATOM 1772 HG3 GLU B 21 55.136 -17.877 -13.307 1.00 0.00 H ATOM 1773 H GLU B 21 54.980 -14.797 -9.795 1.00 0.00 H ATOM 1774 N GLY B 22 56.269 -18.158 -11.262 1.00 0.00 N ATOM 1775 CA GLY B 22 57.686 -18.607 -11.199 1.00 0.00 C ATOM 1776 C GLY B 22 58.078 -18.920 -9.756 1.00 0.00 C ATOM 1777 O GLY B 22 57.259 -19.311 -8.948 1.00 0.00 O ATOM 1778 HA3 GLY B 22 58.331 -17.818 -11.584 1.00 0.00 H ATOM 1779 HA2 GLY B 22 57.807 -19.503 -11.808 1.00 0.00 H ATOM 1780 H GLY B 22 55.529 -18.823 -11.565 1.00 0.00 H ATOM 1781 N ASP B 23 59.333 -18.766 -9.431 1.00 0.00 N ATOM 1782 CA ASP B 23 59.794 -19.068 -8.047 1.00 0.00 C ATOM 1783 C ASP B 23 59.513 -17.876 -7.125 1.00 0.00 C ATOM 1784 O ASP B 23 60.061 -16.805 -7.283 1.00 0.00 O ATOM 1785 CB ASP B 23 61.295 -19.356 -8.064 1.00 0.00 C ATOM 1786 CG ASP B 23 61.745 -19.786 -6.665 1.00 0.00 C ATOM 1787 OD1 ASP B 23 60.977 -19.603 -5.733 1.00 0.00 O ATOM 1788 OD2 ASP B 23 62.850 -20.290 -6.548 1.00 0.00 O ATOM 1789 HA ASP B 23 59.256 -19.939 -7.674 1.00 0.00 H ATOM 1790 HB2 ASP B 23 61.505 -20.155 -8.776 1.00 0.00 H ATOM 1791 HB3 ASP B 23 61.835 -18.457 -8.360 1.00 0.00 H ATOM 1792 H ASP B 23 60.014 -18.431 -10.142 1.00 0.00 H ATOM 1793 N LYS B 24 58.662 -18.067 -6.159 1.00 0.00 N ATOM 1794 CA LYS B 24 58.329 -16.970 -5.210 1.00 0.00 C ATOM 1795 C LYS B 24 59.552 -16.627 -4.350 1.00 0.00 C ATOM 1796 O LYS B 24 59.678 -15.533 -3.835 1.00 0.00 O ATOM 1797 CB LYS B 24 57.182 -17.441 -4.310 1.00 0.00 C ATOM 1798 CG LYS B 24 56.901 -16.397 -3.227 1.00 0.00 C ATOM 1799 CD LYS B 24 55.683 -16.825 -2.410 1.00 0.00 C ATOM 1800 CE LYS B 24 55.548 -15.915 -1.189 1.00 0.00 C ATOM 1801 NZ LYS B 24 56.541 -16.325 -0.157 1.00 0.00 N ATOM 1802 HA LYS B 24 58.033 -16.079 -5.764 1.00 0.00 H ATOM 1803 HB2 LYS B 24 56.286 -17.585 -4.913 1.00 0.00 H ATOM 1804 HB3 LYS B 24 57.457 -18.385 -3.839 1.00 0.00 H ATOM 1805 HG2 LYS B 24 57.767 -16.312 -2.571 1.00 0.00 H ATOM 1806 HG3 LYS B 24 56.704 -15.432 -3.694 1.00 0.00 H ATOM 1807 HD2 LYS B 24 54.786 -16.746 -3.024 1.00 0.00 H ATOM 1808 HD3 LYS B 24 55.808 -17.857 -2.083 1.00 0.00 H ATOM 1809 HE2 LYS B 24 54.541 -16.001 -0.780 1.00 0.00 H ATOM 1810 HE3 LYS B 24 55.733 -14.882 -1.482 1.00 0.00 H ATOM 1811 HZ1 LYS B 24 56.363 -17.311 0.122 1.00 0.00 H ATOM 1812 HZ2 LYS B 24 57.501 -16.242 -0.549 1.00 0.00 H ATOM 1813 HZ3 LYS B 24 56.450 -15.707 0.674 1.00 0.00 H ATOM 1814 H LYS B 24 58.209 -18.997 -6.049 1.00 0.00 H ATOM 1815 N HIS B 25 60.429 -17.570 -4.160 1.00 0.00 N ATOM 1816 CA HIS B 25 61.627 -17.335 -3.300 1.00 0.00 C ATOM 1817 C HIS B 25 62.621 -16.378 -3.971 1.00 0.00 C ATOM 1818 O HIS B 25 63.266 -15.595 -3.302 1.00 0.00 O ATOM 1819 CB HIS B 25 62.327 -18.668 -3.028 1.00 0.00 C ATOM 1820 CG HIS B 25 61.475 -19.510 -2.115 1.00 0.00 C ATOM 1821 ND1 HIS B 25 60.505 -20.379 -2.599 1.00 0.00 N ATOM 1822 CD2 HIS B 25 61.442 -19.636 -0.746 1.00 0.00 C ATOM 1823 CE1 HIS B 25 59.938 -20.985 -1.539 1.00 0.00 C ATOM 1824 NE2 HIS B 25 60.473 -20.566 -0.389 1.00 0.00 N ATOM 1825 HA HIS B 25 61.289 -16.883 -2.368 1.00 0.00 H ATOM 1826 HB2 HIS B 25 62.481 -19.196 -3.969 1.00 0.00 H ATOM 1827 HB3 HIS B 25 63.291 -18.482 -2.555 1.00 0.00 H ATOM 1828 HD2 HIS B 25 62.078 -19.091 -0.049 1.00 0.00 H ATOM 1829 HE1 HIS B 25 59.141 -21.726 -1.610 1.00 0.00 H ATOM 1830 H HIS B 25 60.294 -18.497 -4.612 1.00 0.00 H ATOM 1831 N LYS B 26 62.770 -16.441 -5.273 1.00 0.00 N ATOM 1832 CA LYS B 26 63.748 -15.539 -5.972 1.00 0.00 C ATOM 1833 C LYS B 26 63.055 -14.842 -7.141 1.00 0.00 C ATOM 1834 O LYS B 26 62.062 -15.314 -7.657 1.00 0.00 O ATOM 1835 CB LYS B 26 64.925 -16.376 -6.487 1.00 0.00 C ATOM 1836 CG LYS B 26 64.411 -17.455 -7.445 1.00 0.00 C ATOM 1837 CD LYS B 26 65.576 -18.335 -7.901 1.00 0.00 C ATOM 1838 CE LYS B 26 65.063 -19.384 -8.892 1.00 0.00 C ATOM 1839 NZ LYS B 26 66.207 -20.185 -9.413 1.00 0.00 N ATOM 1840 HA LYS B 26 64.116 -14.785 -5.276 1.00 0.00 H ATOM 1841 HB2 LYS B 26 65.627 -15.729 -7.013 1.00 0.00 H ATOM 1842 HB3 LYS B 26 65.429 -16.849 -5.645 1.00 0.00 H ATOM 1843 HG2 LYS B 26 63.670 -18.070 -6.935 1.00 0.00 H ATOM 1844 HG3 LYS B 26 63.953 -16.981 -8.313 1.00 0.00 H ATOM 1845 HD2 LYS B 26 66.332 -17.716 -8.385 1.00 0.00 H ATOM 1846 HD3 LYS B 26 66.015 -18.834 -7.037 1.00 0.00 H ATOM 1847 HE2 LYS B 26 64.562 -18.885 -9.722 1.00 0.00 H ATOM 1848 HE3 LYS B 26 64.358 -20.045 -8.388 1.00 0.00 H ATOM 1849 HZ1 LYS B 26 66.879 -19.554 -9.895 1.00 0.00 H ATOM 1850 HZ2 LYS B 26 66.684 -20.662 -8.621 1.00 0.00 H ATOM 1851 HZ3 LYS B 26 65.854 -20.896 -10.085 1.00 0.00 H ATOM 1852 H LYS B 26 62.208 -17.120 -5.825 1.00 0.00 H ATOM 1853 N LEU B 27 63.566 -13.703 -7.546 1.00 0.00 N ATOM 1854 CA LEU B 27 62.934 -12.938 -8.670 1.00 0.00 C ATOM 1855 C LEU B 27 63.757 -13.075 -9.944 1.00 0.00 C ATOM 1856 O LEU B 27 64.944 -12.808 -9.964 1.00 0.00 O ATOM 1857 CB LEU B 27 62.876 -11.453 -8.306 1.00 0.00 C ATOM 1858 CG LEU B 27 62.021 -11.247 -7.058 1.00 0.00 C ATOM 1859 CD1 LEU B 27 62.183 -9.802 -6.576 1.00 0.00 C ATOM 1860 CD2 LEU B 27 60.541 -11.526 -7.375 1.00 0.00 C ATOM 1861 HA LEU B 27 61.934 -13.339 -8.833 1.00 0.00 H ATOM 1862 HB2 LEU B 27 63.886 -11.090 -8.115 1.00 0.00 H ATOM 1863 HB3 LEU B 27 62.442 -10.896 -9.136 1.00 0.00 H ATOM 1864 HG LEU B 27 62.346 -11.936 -6.279 1.00 0.00 H ATOM 1865 HD21 LEU B 27 60.203 -10.845 -8.156 1.00 0.00 H ATOM 1866 HD22 LEU B 27 60.432 -12.555 -7.717 1.00 0.00 H ATOM 1867 HD23 LEU B 27 59.943 -11.375 -6.476 1.00 0.00 H ATOM 1868 HD11 LEU B 27 63.230 -9.614 -6.340 1.00 0.00 H ATOM 1869 HD12 LEU B 27 61.858 -9.120 -7.362 1.00 0.00 H ATOM 1870 HD13 LEU B 27 61.575 -9.647 -5.685 1.00 0.00 H ATOM 1871 H LEU B 27 64.418 -13.327 -7.083 1.00 0.00 H ATOM 1872 N LYS B 28 63.122 -13.450 -11.019 1.00 0.00 N ATOM 1873 CA LYS B 28 63.836 -13.568 -12.321 1.00 0.00 C ATOM 1874 C LYS B 28 63.554 -12.307 -13.136 1.00 0.00 C ATOM 1875 O LYS B 28 62.507 -11.704 -13.013 1.00 0.00 O ATOM 1876 CB LYS B 28 63.336 -14.794 -13.094 1.00 0.00 C ATOM 1877 CG LYS B 28 63.961 -14.790 -14.498 1.00 0.00 C ATOM 1878 CD LYS B 28 63.861 -16.173 -15.133 1.00 0.00 C ATOM 1879 CE LYS B 28 62.396 -16.605 -15.217 1.00 0.00 C ATOM 1880 NZ LYS B 28 62.266 -17.709 -16.207 1.00 0.00 N ATOM 1881 HA LYS B 28 64.906 -13.681 -12.144 1.00 0.00 H ATOM 1882 HB2 LYS B 28 63.627 -15.702 -12.567 1.00 0.00 H ATOM 1883 HB3 LYS B 28 62.250 -14.756 -13.177 1.00 0.00 H ATOM 1884 HG2 LYS B 28 63.434 -14.069 -15.123 1.00 0.00 H ATOM 1885 HG3 LYS B 28 65.010 -14.505 -14.423 1.00 0.00 H ATOM 1886 HD2 LYS B 28 64.287 -16.142 -16.136 1.00 0.00 H ATOM 1887 HD3 LYS B 28 64.415 -16.890 -14.527 1.00 0.00 H ATOM 1888 HE2 LYS B 28 61.784 -15.760 -15.531 1.00 0.00 H ATOM 1889 HE3 LYS B 28 62.061 -16.951 -14.239 1.00 0.00 H ATOM 1890 HZ1 LYS B 28 62.586 -17.377 -17.139 1.00 0.00 H ATOM 1891 HZ2 LYS B 28 62.851 -18.514 -15.905 1.00 0.00 H ATOM 1892 HZ3 LYS B 28 61.271 -18.005 -16.266 1.00 0.00 H ATOM 1893 H LYS B 28 62.107 -13.669 -10.967 1.00 0.00 H ATOM 1894 N LYS B 29 64.482 -11.905 -13.954 1.00 0.00 N ATOM 1895 CA LYS B 29 64.285 -10.673 -14.780 1.00 0.00 C ATOM 1896 C LYS B 29 62.852 -10.598 -15.329 1.00 0.00 C ATOM 1897 O LYS B 29 62.256 -9.540 -15.354 1.00 0.00 O ATOM 1898 CB LYS B 29 65.283 -10.695 -15.945 1.00 0.00 C ATOM 1899 CG LYS B 29 65.132 -12.003 -16.735 1.00 0.00 C ATOM 1900 CD LYS B 29 66.278 -12.151 -17.748 1.00 0.00 C ATOM 1901 CE LYS B 29 65.986 -11.307 -18.990 1.00 0.00 C ATOM 1902 NZ LYS B 29 67.047 -11.536 -20.012 1.00 0.00 N ATOM 1903 HA LYS B 29 64.452 -9.797 -14.153 1.00 0.00 H ATOM 1904 HB2 LYS B 29 65.089 -9.849 -16.604 1.00 0.00 H ATOM 1905 HB3 LYS B 29 66.298 -10.623 -15.554 1.00 0.00 H ATOM 1906 HG2 LYS B 29 65.152 -12.845 -16.043 1.00 0.00 H ATOM 1907 HG3 LYS B 29 64.181 -11.994 -17.267 1.00 0.00 H ATOM 1908 HD2 LYS B 29 67.209 -11.814 -17.293 1.00 0.00 H ATOM 1909 HD3 LYS B 29 66.373 -13.198 -18.036 1.00 0.00 H ATOM 1910 HE2 LYS B 29 65.968 -10.252 -18.716 1.00 0.00 H ATOM 1911 HE3 LYS B 29 65.018 -11.591 -19.402 1.00 0.00 H ATOM 1912 HZ1 LYS B 29 67.970 -11.264 -19.618 1.00 0.00 H ATOM 1913 HZ2 LYS B 29 67.063 -12.542 -20.274 1.00 0.00 H ATOM 1914 HZ3 LYS B 29 66.845 -10.961 -20.855 1.00 0.00 H ATOM 1915 H LYS B 29 65.368 -12.444 -14.035 1.00 0.00 H ATOM 1916 N SER B 30 62.286 -11.688 -15.770 1.00 0.00 N ATOM 1917 CA SER B 30 60.892 -11.621 -16.307 1.00 0.00 C ATOM 1918 C SER B 30 59.915 -11.158 -15.214 1.00 0.00 C ATOM 1919 O SER B 30 59.055 -10.336 -15.455 1.00 0.00 O ATOM 1920 CB SER B 30 60.465 -13.002 -16.816 1.00 0.00 C ATOM 1921 OG SER B 30 61.343 -13.413 -17.859 1.00 0.00 O ATOM 1922 HA SER B 30 60.872 -10.904 -17.128 1.00 0.00 H ATOM 1923 HB2 SER B 30 59.445 -12.950 -17.198 1.00 0.00 H ATOM 1924 HB3 SER B 30 60.509 -13.721 -15.998 1.00 0.00 H ATOM 1925 HG SER B 30 61.068 -14.305 -18.188 1.00 0.00 H ATOM 1926 H SER B 30 62.798 -12.593 -15.748 1.00 0.00 H ATOM 1927 N GLU B 31 60.035 -11.671 -14.019 1.00 0.00 N ATOM 1928 CA GLU B 31 59.098 -11.242 -12.936 1.00 0.00 C ATOM 1929 C GLU B 31 59.415 -9.801 -12.549 1.00 0.00 C ATOM 1930 O GLU B 31 58.531 -9.002 -12.306 1.00 0.00 O ATOM 1931 CB GLU B 31 59.252 -12.155 -11.712 1.00 0.00 C ATOM 1932 CG GLU B 31 58.880 -13.585 -12.095 1.00 0.00 C ATOM 1933 CD GLU B 31 59.159 -14.510 -10.911 1.00 0.00 C ATOM 1934 OE1 GLU B 31 59.387 -14.001 -9.825 1.00 0.00 O ATOM 1935 OE2 GLU B 31 59.138 -15.710 -11.108 1.00 0.00 O ATOM 1936 HA GLU B 31 58.071 -11.311 -13.295 1.00 0.00 H ATOM 1937 HB2 GLU B 31 60.285 -12.128 -11.366 1.00 0.00 H ATOM 1938 HB3 GLU B 31 58.594 -11.809 -10.915 1.00 0.00 H ATOM 1939 HG2 GLU B 31 57.822 -13.630 -12.352 1.00 0.00 H ATOM 1940 HG3 GLU B 31 59.475 -13.900 -12.952 1.00 0.00 H ATOM 1941 H GLU B 31 60.777 -12.373 -13.822 1.00 0.00 H ATOM 1942 N LEU B 32 60.673 -9.463 -12.491 1.00 0.00 N ATOM 1943 CA LEU B 32 61.047 -8.072 -12.121 1.00 0.00 C ATOM 1944 C LEU B 32 60.511 -7.103 -13.172 1.00 0.00 C ATOM 1945 O LEU B 32 60.064 -6.018 -12.861 1.00 0.00 O ATOM 1946 CB LEU B 32 62.566 -7.914 -12.032 1.00 0.00 C ATOM 1947 CG LEU B 32 62.896 -6.579 -11.322 1.00 0.00 C ATOM 1948 CD1 LEU B 32 62.949 -6.793 -9.807 1.00 0.00 C ATOM 1949 CD2 LEU B 32 64.251 -6.050 -11.806 1.00 0.00 C ATOM 1950 HA LEU B 32 60.614 -7.853 -11.145 1.00 0.00 H ATOM 1951 HB2 LEU B 32 62.987 -8.744 -11.464 1.00 0.00 H ATOM 1952 HB3 LEU B 32 62.992 -7.909 -13.035 1.00 0.00 H ATOM 1953 HG LEU B 32 62.118 -5.854 -11.559 1.00 0.00 H ATOM 1954 HD21 LEU B 32 65.027 -6.780 -11.578 1.00 0.00 H ATOM 1955 HD22 LEU B 32 64.211 -5.885 -12.883 1.00 0.00 H ATOM 1956 HD23 LEU B 32 64.474 -5.110 -11.301 1.00 0.00 H ATOM 1957 HD11 LEU B 32 61.982 -7.157 -9.459 1.00 0.00 H ATOM 1958 HD12 LEU B 32 63.721 -7.526 -9.572 1.00 0.00 H ATOM 1959 HD13 LEU B 32 63.182 -5.848 -9.316 1.00 0.00 H ATOM 1960 H LEU B 32 61.412 -10.163 -12.703 1.00 0.00 H ATOM 1961 N LYS B 33 60.551 -7.478 -14.420 1.00 0.00 N ATOM 1962 CA LYS B 33 60.037 -6.555 -15.463 1.00 0.00 C ATOM 1963 C LYS B 33 58.602 -6.201 -15.106 1.00 0.00 C ATOM 1964 O LYS B 33 58.178 -5.070 -15.235 1.00 0.00 O ATOM 1965 CB LYS B 33 60.057 -7.251 -16.828 1.00 0.00 C ATOM 1966 CG LYS B 33 59.511 -6.297 -17.895 1.00 0.00 C ATOM 1967 CD LYS B 33 59.529 -6.988 -19.253 1.00 0.00 C ATOM 1968 CE LYS B 33 58.975 -6.032 -20.316 1.00 0.00 C ATOM 1969 NZ LYS B 33 57.541 -5.753 -20.022 1.00 0.00 N ATOM 1970 HA LYS B 33 60.657 -5.660 -15.512 1.00 0.00 H ATOM 1971 HB2 LYS B 33 61.080 -7.530 -17.079 1.00 0.00 H ATOM 1972 HB3 LYS B 33 59.437 -8.146 -16.789 1.00 0.00 H ATOM 1973 HG2 LYS B 33 58.488 -6.017 -17.643 1.00 0.00 H ATOM 1974 HG3 LYS B 33 60.132 -5.402 -17.934 1.00 0.00 H ATOM 1975 HD2 LYS B 33 60.552 -7.263 -19.508 1.00 0.00 H ATOM 1976 HD3 LYS B 33 58.912 -7.886 -19.213 1.00 0.00 H ATOM 1977 HE2 LYS B 33 59.063 -6.490 -21.301 1.00 0.00 H ATOM 1978 HE3 LYS B 33 59.539 -5.100 -20.298 1.00 0.00 H ATOM 1979 HZ1 LYS B 33 57.005 -6.644 -20.039 1.00 0.00 H ATOM 1980 HZ2 LYS B 33 57.460 -5.316 -19.082 1.00 0.00 H ATOM 1981 HZ3 LYS B 33 57.161 -5.105 -20.741 1.00 0.00 H ATOM 1982 H LYS B 33 60.937 -8.408 -14.681 1.00 0.00 H ATOM 1983 N GLU B 34 57.857 -7.159 -14.639 1.00 0.00 N ATOM 1984 CA GLU B 34 56.455 -6.871 -14.257 1.00 0.00 C ATOM 1985 C GLU B 34 56.461 -5.938 -13.051 1.00 0.00 C ATOM 1986 O GLU B 34 55.683 -5.016 -12.969 1.00 0.00 O ATOM 1987 CB GLU B 34 55.737 -8.171 -13.895 1.00 0.00 C ATOM 1988 CG GLU B 34 54.281 -7.860 -13.546 1.00 0.00 C ATOM 1989 CD GLU B 34 53.501 -9.162 -13.402 1.00 0.00 C ATOM 1990 OE1 GLU B 34 54.065 -10.205 -13.688 1.00 0.00 O ATOM 1991 OE2 GLU B 34 52.348 -9.095 -13.011 1.00 0.00 O ATOM 1992 HA GLU B 34 55.934 -6.402 -15.092 1.00 0.00 H ATOM 1993 HB2 GLU B 34 55.771 -8.855 -14.743 1.00 0.00 H ATOM 1994 HB3 GLU B 34 56.227 -8.632 -13.038 1.00 0.00 H ATOM 1995 HG2 GLU B 34 54.243 -7.308 -12.607 1.00 0.00 H ATOM 1996 HG3 GLU B 34 53.838 -7.257 -14.339 1.00 0.00 H ATOM 1997 H GLU B 34 58.242 -8.119 -14.535 1.00 0.00 H ATOM 1998 N LEU B 35 57.352 -6.162 -12.119 1.00 0.00 N ATOM 1999 CA LEU B 35 57.421 -5.281 -10.926 1.00 0.00 C ATOM 2000 C LEU B 35 57.702 -3.847 -11.374 1.00 0.00 C ATOM 2001 O LEU B 35 57.048 -2.916 -10.953 1.00 0.00 O ATOM 2002 CB LEU B 35 58.558 -5.789 -10.027 1.00 0.00 C ATOM 2003 CG LEU B 35 58.828 -4.850 -8.830 1.00 0.00 C ATOM 2004 CD1 LEU B 35 59.566 -3.560 -9.266 1.00 0.00 C ATOM 2005 CD2 LEU B 35 57.505 -4.493 -8.131 1.00 0.00 C ATOM 2006 HA LEU B 35 56.479 -5.296 -10.377 1.00 0.00 H ATOM 2007 HB2 LEU B 35 58.289 -6.774 -9.646 1.00 0.00 H ATOM 2008 HB3 LEU B 35 59.467 -5.867 -10.623 1.00 0.00 H ATOM 2009 HG LEU B 35 59.476 -5.380 -8.132 1.00 0.00 H ATOM 2010 HD21 LEU B 35 56.845 -3.991 -8.839 1.00 0.00 H ATOM 2011 HD22 LEU B 35 57.028 -5.405 -7.771 1.00 0.00 H ATOM 2012 HD23 LEU B 35 57.707 -3.831 -7.289 1.00 0.00 H ATOM 2013 HD11 LEU B 35 60.523 -3.825 -9.717 1.00 0.00 H ATOM 2014 HD12 LEU B 35 58.957 -3.023 -9.993 1.00 0.00 H ATOM 2015 HD13 LEU B 35 59.736 -2.928 -8.394 1.00 0.00 H ATOM 2016 H LEU B 35 58.013 -6.959 -12.214 1.00 0.00 H ATOM 2017 N ILE B 36 58.694 -3.656 -12.198 1.00 0.00 N ATOM 2018 CA ILE B 36 59.034 -2.276 -12.638 1.00 0.00 C ATOM 2019 C ILE B 36 57.883 -1.697 -13.483 1.00 0.00 C ATOM 2020 O ILE B 36 57.512 -0.552 -13.339 1.00 0.00 O ATOM 2021 CB ILE B 36 60.320 -2.323 -13.479 1.00 0.00 C ATOM 2022 CG1 ILE B 36 61.431 -3.032 -12.698 1.00 0.00 C ATOM 2023 CG2 ILE B 36 60.783 -0.898 -13.775 1.00 0.00 C ATOM 2024 CD1 ILE B 36 62.607 -3.315 -13.634 1.00 0.00 C ATOM 2025 HA ILE B 36 59.186 -1.641 -11.765 1.00 0.00 H ATOM 2026 HB ILE B 36 60.114 -2.860 -14.405 1.00 0.00 H ATOM 2027 HG12 ILE B 36 61.763 -2.395 -11.878 1.00 0.00 H ATOM 2028 HG13 ILE B 36 61.051 -3.971 -12.296 1.00 0.00 H ATOM 2029 HD11 ILE B 36 62.273 -3.952 -14.453 1.00 0.00 H ATOM 2030 HD12 ILE B 36 62.985 -2.375 -14.035 1.00 0.00 H ATOM 2031 HD13 ILE B 36 63.398 -3.819 -13.079 1.00 0.00 H ATOM 2032 HG21 ILE B 36 60.004 -0.372 -14.327 1.00 0.00 H ATOM 2033 HG22 ILE B 36 60.979 -0.379 -12.837 1.00 0.00 H ATOM 2034 HG23 ILE B 36 61.695 -0.930 -14.371 1.00 0.00 H ATOM 2035 H ILE B 36 59.246 -4.466 -12.547 1.00 0.00 H ATOM 2036 N ASN B 37 57.332 -2.472 -14.378 1.00 0.00 N ATOM 2037 CA ASN B 37 56.228 -1.956 -15.249 1.00 0.00 C ATOM 2038 C ASN B 37 54.877 -1.974 -14.520 1.00 0.00 C ATOM 2039 O ASN B 37 53.967 -1.256 -14.885 1.00 0.00 O ATOM 2040 CB ASN B 37 56.139 -2.816 -16.512 1.00 0.00 C ATOM 2041 CG ASN B 37 54.984 -2.329 -17.387 1.00 0.00 C ATOM 2042 OD1 ASN B 37 54.505 -1.226 -17.224 1.00 0.00 O ATOM 2043 ND2 ASN B 37 54.519 -3.111 -18.323 1.00 0.00 N ATOM 2044 HA ASN B 37 56.454 -0.922 -15.509 1.00 0.00 H ATOM 2045 HB2 ASN B 37 57.073 -2.740 -17.069 1.00 0.00 H ATOM 2046 HB3 ASN B 37 55.968 -3.855 -16.232 1.00 0.00 H ATOM 2047 HD22 ASN B 37 54.930 -4.056 -18.462 1.00 0.00 H ATOM 2048 HD21 ASN B 37 53.738 -2.789 -18.929 1.00 0.00 H ATOM 2049 H ASN B 37 57.661 -3.452 -14.487 1.00 0.00 H ATOM 2050 N ASN B 38 54.717 -2.801 -13.519 1.00 0.00 N ATOM 2051 CA ASN B 38 53.393 -2.866 -12.811 1.00 0.00 C ATOM 2052 C ASN B 38 53.321 -1.852 -11.659 1.00 0.00 C ATOM 2053 O ASN B 38 52.251 -1.395 -11.306 1.00 0.00 O ATOM 2054 CB ASN B 38 53.179 -4.273 -12.250 1.00 0.00 C ATOM 2055 CG ASN B 38 51.828 -4.334 -11.544 1.00 0.00 C ATOM 2056 OD1 ASN B 38 50.883 -4.887 -12.067 1.00 0.00 O ATOM 2057 ND2 ASN B 38 51.691 -3.777 -10.372 1.00 0.00 N ATOM 2058 HA ASN B 38 52.615 -2.623 -13.535 1.00 0.00 H ATOM 2059 HB2 ASN B 38 53.198 -4.997 -13.065 1.00 0.00 H ATOM 2060 HB3 ASN B 38 53.972 -4.507 -11.540 1.00 0.00 H ATOM 2061 HD22 ASN B 38 52.501 -3.303 -9.924 1.00 0.00 H ATOM 2062 HD21 ASN B 38 50.772 -3.807 -9.886 1.00 0.00 H ATOM 2063 H ASN B 38 55.503 -3.411 -13.215 1.00 0.00 H ATOM 2064 N GLU B 39 54.433 -1.491 -11.069 1.00 0.00 N ATOM 2065 CA GLU B 39 54.404 -0.500 -9.942 1.00 0.00 C ATOM 2066 C GLU B 39 54.841 0.866 -10.470 1.00 0.00 C ATOM 2067 O GLU B 39 54.482 1.890 -9.927 1.00 0.00 O ATOM 2068 CB GLU B 39 55.368 -0.963 -8.833 1.00 0.00 C ATOM 2069 CG GLU B 39 54.668 -1.962 -7.900 1.00 0.00 C ATOM 2070 CD GLU B 39 54.389 -3.263 -8.653 1.00 0.00 C ATOM 2071 OE1 GLU B 39 54.947 -3.436 -9.722 1.00 0.00 O ATOM 2072 OE2 GLU B 39 53.623 -4.067 -8.145 1.00 0.00 O ATOM 2073 HA GLU B 39 53.396 -0.427 -9.534 1.00 0.00 H ATOM 2074 HB2 GLU B 39 56.235 -1.442 -9.287 1.00 0.00 H ATOM 2075 HB3 GLU B 39 55.693 -0.098 -8.255 1.00 0.00 H ATOM 2076 HG2 GLU B 39 55.310 -2.169 -7.044 1.00 0.00 H ATOM 2077 HG3 GLU B 39 53.727 -1.535 -7.552 1.00 0.00 H ATOM 2078 H GLU B 39 55.340 -1.892 -11.383 1.00 0.00 H ATOM 2079 N LEU B 40 55.595 0.884 -11.540 1.00 0.00 N ATOM 2080 CA LEU B 40 56.055 2.176 -12.136 1.00 0.00 C ATOM 2081 C LEU B 40 55.620 2.201 -13.601 1.00 0.00 C ATOM 2082 O LEU B 40 56.391 2.507 -14.480 1.00 0.00 O ATOM 2083 CB LEU B 40 57.587 2.276 -12.061 1.00 0.00 C ATOM 2084 CG LEU B 40 58.092 1.842 -10.676 1.00 0.00 C ATOM 2085 CD1 LEU B 40 59.623 1.780 -10.700 1.00 0.00 C ATOM 2086 CD2 LEU B 40 57.630 2.846 -9.605 1.00 0.00 C ATOM 2087 HA LEU B 40 55.622 3.014 -11.589 1.00 0.00 H ATOM 2088 HB2 LEU B 40 58.026 1.630 -12.821 1.00 0.00 H ATOM 2089 HB3 LEU B 40 57.888 3.307 -12.245 1.00 0.00 H ATOM 2090 HG LEU B 40 57.686 0.860 -10.433 1.00 0.00 H ATOM 2091 HD21 LEU B 40 58.029 3.833 -9.838 1.00 0.00 H ATOM 2092 HD22 LEU B 40 56.541 2.886 -9.592 1.00 0.00 H ATOM 2093 HD23 LEU B 40 57.994 2.527 -8.628 1.00 0.00 H ATOM 2094 HD11 LEU B 40 59.944 1.059 -11.452 1.00 0.00 H ATOM 2095 HD12 LEU B 40 60.021 2.764 -10.945 1.00 0.00 H ATOM 2096 HD13 LEU B 40 59.988 1.473 -9.720 1.00 0.00 H ATOM 2097 H LEU B 40 55.878 -0.014 -11.982 1.00 0.00 H ATOM 2098 N SER B 41 54.391 1.854 -13.868 1.00 0.00 N ATOM 2099 CA SER B 41 53.901 1.828 -15.278 1.00 0.00 C ATOM 2100 C SER B 41 54.365 3.079 -16.036 1.00 0.00 C ATOM 2101 O SER B 41 55.321 3.029 -16.785 1.00 0.00 O ATOM 2102 CB SER B 41 52.375 1.769 -15.267 1.00 0.00 C ATOM 2103 OG SER B 41 51.889 1.731 -16.603 1.00 0.00 O ATOM 2104 HA SER B 41 54.308 0.952 -15.783 1.00 0.00 H ATOM 2105 HB2 SER B 41 51.981 2.651 -14.762 1.00 0.00 H ATOM 2106 HB3 SER B 41 52.050 0.874 -14.737 1.00 0.00 H ATOM 2107 HG SER B 41 52.184 2.545 -17.083 1.00 0.00 H ATOM 2108 H SER B 41 53.748 1.594 -13.093 1.00 0.00 H ATOM 2109 N HIS B 42 53.694 4.193 -15.857 1.00 0.00 N ATOM 2110 CA HIS B 42 54.086 5.450 -16.575 1.00 0.00 C ATOM 2111 C HIS B 42 54.369 6.563 -15.559 1.00 0.00 C ATOM 2112 O HIS B 42 54.425 7.726 -15.906 1.00 0.00 O ATOM 2113 CB HIS B 42 52.933 5.882 -17.484 1.00 0.00 C ATOM 2114 CG HIS B 42 52.619 4.775 -18.453 1.00 0.00 C ATOM 2115 ND1 HIS B 42 51.678 3.795 -18.173 1.00 0.00 N ATOM 2116 CD2 HIS B 42 53.115 4.475 -19.697 1.00 0.00 C ATOM 2117 CE1 HIS B 42 51.634 2.959 -19.229 1.00 0.00 C ATOM 2118 NE2 HIS B 42 52.491 3.330 -20.182 1.00 0.00 N ATOM 2119 HA HIS B 42 54.983 5.266 -17.166 1.00 0.00 H ATOM 2120 HB2 HIS B 42 52.052 6.096 -16.878 1.00 0.00 H ATOM 2121 HB3 HIS B 42 53.220 6.778 -18.035 1.00 0.00 H ATOM 2122 HD2 HIS B 42 53.880 5.046 -20.224 1.00 0.00 H ATOM 2123 HE1 HIS B 42 50.981 2.089 -19.296 1.00 0.00 H ATOM 2124 H HIS B 42 52.880 4.204 -15.209 1.00 0.00 H ATOM 2125 N PHE B 43 54.537 6.230 -14.307 1.00 0.00 N ATOM 2126 CA PHE B 43 54.796 7.288 -13.292 1.00 0.00 C ATOM 2127 C PHE B 43 56.189 7.891 -13.509 1.00 0.00 C ATOM 2128 O PHE B 43 56.383 9.084 -13.382 1.00 0.00 O ATOM 2129 CB PHE B 43 54.715 6.688 -11.887 1.00 0.00 C ATOM 2130 CG PHE B 43 53.289 6.321 -11.557 1.00 0.00 C ATOM 2131 CD1 PHE B 43 52.432 7.274 -10.995 1.00 0.00 C ATOM 2132 CD2 PHE B 43 52.823 5.024 -11.809 1.00 0.00 C ATOM 2133 CE1 PHE B 43 51.111 6.932 -10.688 1.00 0.00 C ATOM 2134 CE2 PHE B 43 51.502 4.683 -11.500 1.00 0.00 C ATOM 2135 CZ PHE B 43 50.646 5.637 -10.941 1.00 0.00 C ATOM 2136 HA PHE B 43 54.044 8.070 -13.397 1.00 0.00 H ATOM 2137 HB2 PHE B 43 55.337 5.794 -11.841 1.00 0.00 H ATOM 2138 HB3 PHE B 43 55.076 7.418 -11.162 1.00 0.00 H ATOM 2139 HD2 PHE B 43 53.490 4.281 -12.246 1.00 0.00 H ATOM 2140 HE2 PHE B 43 51.140 3.674 -11.695 1.00 0.00 H ATOM 2141 HZ PHE B 43 49.616 5.372 -10.702 1.00 0.00 H ATOM 2142 HE1 PHE B 43 50.443 7.675 -10.251 1.00 0.00 H ATOM 2143 HD1 PHE B 43 52.794 8.283 -10.797 1.00 0.00 H ATOM 2144 H PHE B 43 54.490 5.231 -14.021 1.00 0.00 H ATOM 2145 N LEU B 44 57.168 7.082 -13.824 1.00 0.00 N ATOM 2146 CA LEU B 44 58.543 7.630 -14.037 1.00 0.00 C ATOM 2147 C LEU B 44 59.352 6.689 -14.944 1.00 0.00 C ATOM 2148 O LEU B 44 60.163 7.127 -15.738 1.00 0.00 O ATOM 2149 CB LEU B 44 59.280 7.832 -12.678 1.00 0.00 C ATOM 2150 CG LEU B 44 58.852 6.787 -11.595 1.00 0.00 C ATOM 2151 CD1 LEU B 44 59.760 5.550 -11.647 1.00 0.00 C ATOM 2152 CD2 LEU B 44 58.979 7.412 -10.198 1.00 0.00 C ATOM 2153 HA LEU B 44 58.452 8.602 -14.522 1.00 0.00 H ATOM 2154 HB2 LEU B 44 60.353 7.740 -12.846 1.00 0.00 H ATOM 2155 HB3 LEU B 44 59.056 8.832 -12.305 1.00 0.00 H ATOM 2156 HG LEU B 44 57.821 6.494 -11.795 1.00 0.00 H ATOM 2157 HD21 LEU B 44 60.014 7.709 -10.027 1.00 0.00 H ATOM 2158 HD22 LEU B 44 58.333 8.287 -10.133 1.00 0.00 H ATOM 2159 HD23 LEU B 44 58.680 6.682 -9.446 1.00 0.00 H ATOM 2160 HD11 LEU B 44 59.687 5.088 -12.632 1.00 0.00 H ATOM 2161 HD12 LEU B 44 60.791 5.850 -11.461 1.00 0.00 H ATOM 2162 HD13 LEU B 44 59.444 4.837 -10.886 1.00 0.00 H ATOM 2163 H LEU B 44 56.991 6.062 -13.926 1.00 0.00 H ATOM 2164 N GLU B 45 59.145 5.406 -14.818 1.00 0.00 N ATOM 2165 CA GLU B 45 59.897 4.413 -15.646 1.00 0.00 C ATOM 2166 C GLU B 45 58.930 3.590 -16.498 1.00 0.00 C ATOM 2167 O GLU B 45 58.122 2.850 -15.983 1.00 0.00 O ATOM 2168 CB GLU B 45 60.639 3.477 -14.705 1.00 0.00 C ATOM 2169 CG GLU B 45 61.822 4.214 -14.082 1.00 0.00 C ATOM 2170 CD GLU B 45 62.394 3.379 -12.934 1.00 0.00 C ATOM 2171 OE1 GLU B 45 61.873 2.302 -12.699 1.00 0.00 O ATOM 2172 OE2 GLU B 45 63.339 3.828 -12.311 1.00 0.00 O ATOM 2173 HA GLU B 45 60.590 4.937 -16.304 1.00 0.00 H ATOM 2174 HB2 GLU B 45 59.964 3.142 -13.918 1.00 0.00 H ATOM 2175 HB3 GLU B 45 61.001 2.613 -15.262 1.00 0.00 H ATOM 2176 HG2 GLU B 45 62.592 4.370 -14.837 1.00 0.00 H ATOM 2177 HG3 GLU B 45 61.489 5.179 -13.700 1.00 0.00 H ATOM 2178 H GLU B 45 58.444 5.068 -14.129 1.00 0.00 H ATOM 2179 N GLU B 46 59.035 3.686 -17.799 1.00 0.00 N ATOM 2180 CA GLU B 46 58.153 2.883 -18.704 1.00 0.00 C ATOM 2181 C GLU B 46 59.007 1.783 -19.327 1.00 0.00 C ATOM 2182 O GLU B 46 60.020 2.042 -19.943 1.00 0.00 O ATOM 2183 CB GLU B 46 57.575 3.778 -19.804 1.00 0.00 C ATOM 2184 CG GLU B 46 56.617 2.962 -20.679 1.00 0.00 C ATOM 2185 CD GLU B 46 55.941 3.886 -21.694 1.00 0.00 C ATOM 2186 OE1 GLU B 46 56.093 5.089 -21.561 1.00 0.00 O ATOM 2187 OE2 GLU B 46 55.282 3.375 -22.584 1.00 0.00 O ATOM 2188 HA GLU B 46 57.324 2.453 -18.142 1.00 0.00 H ATOM 2189 HB2 GLU B 46 57.034 4.608 -19.350 1.00 0.00 H ATOM 2190 HB3 GLU B 46 58.386 4.167 -20.419 1.00 0.00 H ATOM 2191 HG2 GLU B 46 57.176 2.189 -21.207 1.00 0.00 H ATOM 2192 HG3 GLU B 46 55.859 2.495 -20.050 1.00 0.00 H ATOM 2193 H GLU B 46 59.741 4.329 -18.210 1.00 0.00 H ATOM 2194 N ILE B 47 58.621 0.554 -19.130 1.00 0.00 N ATOM 2195 CA ILE B 47 59.407 -0.601 -19.659 1.00 0.00 C ATOM 2196 C ILE B 47 58.705 -1.191 -20.876 1.00 0.00 C ATOM 2197 O ILE B 47 57.563 -1.604 -20.830 1.00 0.00 O ATOM 2198 CB ILE B 47 59.551 -1.673 -18.554 1.00 0.00 C ATOM 2199 CG1 ILE B 47 59.471 -1.022 -17.166 1.00 0.00 C ATOM 2200 CG2 ILE B 47 60.906 -2.380 -18.678 1.00 0.00 C ATOM 2201 CD1 ILE B 47 60.615 -0.025 -16.978 1.00 0.00 C ATOM 2202 HA ILE B 47 60.398 -0.260 -19.959 1.00 0.00 H ATOM 2203 HB ILE B 47 58.741 -2.393 -18.673 1.00 0.00 H ATOM 2204 HG12 ILE B 47 58.519 -0.500 -17.068 1.00 0.00 H ATOM 2205 HG13 ILE B 47 59.539 -1.796 -16.402 1.00 0.00 H ATOM 2206 HD11 ILE B 47 61.568 -0.546 -17.072 1.00 0.00 H ATOM 2207 HD12 ILE B 47 60.547 0.752 -17.740 1.00 0.00 H ATOM 2208 HD13 ILE B 47 60.543 0.427 -15.989 1.00 0.00 H ATOM 2209 HG21 ILE B 47 60.976 -2.860 -19.654 1.00 0.00 H ATOM 2210 HG22 ILE B 47 61.707 -1.648 -18.574 1.00 0.00 H ATOM 2211 HG23 ILE B 47 60.995 -3.132 -17.894 1.00 0.00 H ATOM 2212 H ILE B 47 57.748 0.374 -18.594 1.00 0.00 H ATOM 2213 N LYS B 48 59.405 -1.223 -21.961 1.00 0.00 N ATOM 2214 CA LYS B 48 58.852 -1.771 -23.228 1.00 0.00 C ATOM 2215 C LYS B 48 59.938 -2.643 -23.878 1.00 0.00 C ATOM 2216 O LYS B 48 59.682 -3.367 -24.819 1.00 0.00 O ATOM 2217 CB LYS B 48 58.460 -0.609 -24.197 1.00 0.00 C ATOM 2218 CG LYS B 48 58.817 0.769 -23.605 1.00 0.00 C ATOM 2219 CD LYS B 48 60.335 0.982 -23.684 1.00 0.00 C ATOM 2220 CE LYS B 48 60.712 2.369 -23.164 1.00 0.00 C ATOM 2221 NZ LYS B 48 60.210 3.411 -24.096 1.00 0.00 N ATOM 2222 HA LYS B 48 57.958 -2.359 -23.022 1.00 0.00 H ATOM 2223 HB2 LYS B 48 58.993 -0.738 -25.139 1.00 0.00 H ATOM 2224 HB3 LYS B 48 57.386 -0.648 -24.380 1.00 0.00 H ATOM 2225 HG2 LYS B 48 58.310 1.550 -24.171 1.00 0.00 H ATOM 2226 HG3 LYS B 48 58.498 0.811 -22.564 1.00 0.00 H ATOM 2227 HD2 LYS B 48 60.835 0.225 -23.080 1.00 0.00 H ATOM 2228 HD3 LYS B 48 60.657 0.888 -24.721 1.00 0.00 H ATOM 2229 HE2 LYS B 48 61.797 2.444 -23.087 1.00 0.00 H ATOM 2230 HE3 LYS B 48 60.268 2.520 -22.180 1.00 0.00 H ATOM 2231 HZ1 LYS B 48 60.635 3.268 -25.035 1.00 0.00 H ATOM 2232 HZ2 LYS B 48 59.175 3.340 -24.168 1.00 0.00 H ATOM 2233 HZ3 LYS B 48 60.470 4.351 -23.736 1.00 0.00 H ATOM 2234 H LYS B 48 60.378 -0.857 -21.948 1.00 0.00 H ATOM 2235 N GLU B 49 61.159 -2.550 -23.393 1.00 0.00 N ATOM 2236 CA GLU B 49 62.286 -3.333 -23.981 1.00 0.00 C ATOM 2237 C GLU B 49 62.971 -4.167 -22.904 1.00 0.00 C ATOM 2238 O GLU B 49 62.928 -3.852 -21.731 1.00 0.00 O ATOM 2239 CB GLU B 49 63.314 -2.359 -24.539 1.00 0.00 C ATOM 2240 CG GLU B 49 62.709 -1.544 -25.670 1.00 0.00 C ATOM 2241 CD GLU B 49 62.335 -2.463 -26.837 1.00 0.00 C ATOM 2242 OE1 GLU B 49 62.901 -3.541 -26.920 1.00 0.00 O ATOM 2243 OE2 GLU B 49 61.483 -2.079 -27.621 1.00 0.00 O ATOM 2244 HA GLU B 49 61.894 -3.988 -24.759 1.00 0.00 H ATOM 2245 HB2 GLU B 49 63.640 -1.687 -23.746 1.00 0.00 H ATOM 2246 HB3 GLU B 49 64.171 -2.917 -24.916 1.00 0.00 H ATOM 2247 HG2 GLU B 49 61.815 -1.035 -25.310 1.00 0.00 H ATOM 2248 HG3 GLU B 49 63.434 -0.805 -26.010 1.00 0.00 H ATOM 2249 H GLU B 49 61.341 -1.920 -22.586 1.00 0.00 H ATOM 2250 N GLN B 50 63.646 -5.203 -23.303 1.00 0.00 N ATOM 2251 CA GLN B 50 64.385 -6.031 -22.320 1.00 0.00 C ATOM 2252 C GLN B 50 65.690 -5.307 -21.972 1.00 0.00 C ATOM 2253 O GLN B 50 66.312 -5.576 -20.965 1.00 0.00 O ATOM 2254 CB GLN B 50 64.705 -7.390 -22.946 1.00 0.00 C ATOM 2255 CG GLN B 50 65.753 -7.226 -24.056 1.00 0.00 C ATOM 2256 CD GLN B 50 65.856 -8.523 -24.857 1.00 0.00 C ATOM 2257 OE1 GLN B 50 64.859 -9.158 -25.136 1.00 0.00 O ATOM 2258 NE2 GLN B 50 67.031 -8.954 -25.233 1.00 0.00 N ATOM 2259 HA GLN B 50 63.787 -6.183 -21.421 1.00 0.00 H ATOM 2260 HB2 GLN B 50 65.094 -8.058 -22.178 1.00 0.00 H ATOM 2261 HB3 GLN B 50 63.795 -7.816 -23.369 1.00 0.00 H ATOM 2262 HG2 GLN B 50 65.457 -6.413 -24.718 1.00 0.00 H ATOM 2263 HG3 GLN B 50 66.721 -6.996 -23.611 1.00 0.00 H ATOM 2264 HE22 GLN B 50 67.885 -8.411 -24.994 1.00 0.00 H ATOM 2265 HE21 GLN B 50 67.112 -9.840 -25.771 1.00 0.00 H ATOM 2266 H GLN B 50 63.668 -5.452 -24.313 1.00 0.00 H ATOM 2267 N GLU B 51 66.122 -4.409 -22.828 1.00 0.00 N ATOM 2268 CA GLU B 51 67.405 -3.686 -22.568 1.00 0.00 C ATOM 2269 C GLU B 51 67.314 -2.914 -21.252 1.00 0.00 C ATOM 2270 O GLU B 51 68.240 -2.905 -20.465 1.00 0.00 O ATOM 2271 CB GLU B 51 67.716 -2.733 -23.732 1.00 0.00 C ATOM 2272 CG GLU B 51 66.825 -1.489 -23.664 1.00 0.00 C ATOM 2273 CD GLU B 51 66.972 -0.682 -24.955 1.00 0.00 C ATOM 2274 OE1 GLU B 51 67.863 -0.994 -25.729 1.00 0.00 O ATOM 2275 OE2 GLU B 51 66.189 0.233 -25.150 1.00 0.00 O ATOM 2276 HA GLU B 51 68.214 -4.412 -22.488 1.00 0.00 H ATOM 2277 HB2 GLU B 51 68.761 -2.429 -23.677 1.00 0.00 H ATOM 2278 HB3 GLU B 51 67.539 -3.250 -24.675 1.00 0.00 H ATOM 2279 HG2 GLU B 51 65.785 -1.793 -23.542 1.00 0.00 H ATOM 2280 HG3 GLU B 51 67.124 -0.874 -22.815 1.00 0.00 H ATOM 2281 H GLU B 51 65.572 -4.201 -23.686 1.00 0.00 H ATOM 2282 N VAL B 52 66.201 -2.280 -20.988 1.00 0.00 N ATOM 2283 CA VAL B 52 66.077 -1.546 -19.704 1.00 0.00 C ATOM 2284 C VAL B 52 66.157 -2.585 -18.604 1.00 0.00 C ATOM 2285 O VAL B 52 66.881 -2.455 -17.644 1.00 0.00 O ATOM 2286 CB VAL B 52 64.721 -0.830 -19.649 1.00 0.00 C ATOM 2287 CG1 VAL B 52 64.720 0.202 -18.518 1.00 0.00 C ATOM 2288 CG2 VAL B 52 64.471 -0.128 -20.984 1.00 0.00 C ATOM 2289 HA VAL B 52 66.861 -0.797 -19.596 1.00 0.00 H ATOM 2290 HB VAL B 52 63.933 -1.560 -19.463 1.00 0.00 H ATOM 2291 HG11 VAL B 52 64.899 -0.302 -17.568 1.00 0.00 H ATOM 2292 HG12 VAL B 52 65.507 0.935 -18.696 1.00 0.00 H ATOM 2293 HG13 VAL B 52 63.753 0.705 -18.487 1.00 0.00 H ATOM 2294 HG21 VAL B 52 65.263 0.599 -21.165 1.00 0.00 H ATOM 2295 HG22 VAL B 52 64.464 -0.866 -21.786 1.00 0.00 H ATOM 2296 HG23 VAL B 52 63.508 0.382 -20.950 1.00 0.00 H ATOM 2297 H VAL B 52 65.414 -2.290 -21.668 1.00 0.00 H ATOM 2298 N VAL B 53 65.422 -3.638 -18.778 1.00 0.00 N ATOM 2299 CA VAL B 53 65.429 -4.737 -17.797 1.00 0.00 C ATOM 2300 C VAL B 53 66.837 -5.317 -17.706 1.00 0.00 C ATOM 2301 O VAL B 53 67.337 -5.575 -16.635 1.00 0.00 O ATOM 2302 CB VAL B 53 64.448 -5.795 -18.297 1.00 0.00 C ATOM 2303 CG1 VAL B 53 64.668 -7.134 -17.613 1.00 0.00 C ATOM 2304 CG2 VAL B 53 63.021 -5.325 -18.037 1.00 0.00 C ATOM 2305 HA VAL B 53 65.136 -4.390 -16.806 1.00 0.00 H ATOM 2306 HB VAL B 53 64.616 -5.930 -19.366 1.00 0.00 H ATOM 2307 HG11 VAL B 53 65.681 -7.482 -17.815 1.00 0.00 H ATOM 2308 HG12 VAL B 53 64.530 -7.018 -16.538 1.00 0.00 H ATOM 2309 HG13 VAL B 53 63.950 -7.859 -17.997 1.00 0.00 H ATOM 2310 HG21 VAL B 53 62.879 -5.173 -16.967 1.00 0.00 H ATOM 2311 HG22 VAL B 53 62.847 -4.387 -18.565 1.00 0.00 H ATOM 2312 HG23 VAL B 53 62.320 -6.080 -18.394 1.00 0.00 H ATOM 2313 H VAL B 53 64.819 -3.708 -19.622 1.00 0.00 H ATOM 2314 N ASP B 54 67.478 -5.540 -18.819 1.00 0.00 N ATOM 2315 CA ASP B 54 68.843 -6.124 -18.757 1.00 0.00 C ATOM 2316 C ASP B 54 69.788 -5.158 -18.056 1.00 0.00 C ATOM 2317 O ASP B 54 70.595 -5.549 -17.238 1.00 0.00 O ATOM 2318 CB ASP B 54 69.359 -6.402 -20.167 1.00 0.00 C ATOM 2319 CG ASP B 54 68.578 -7.563 -20.785 1.00 0.00 C ATOM 2320 OD1 ASP B 54 68.063 -8.374 -20.033 1.00 0.00 O ATOM 2321 OD2 ASP B 54 68.507 -7.623 -22.002 1.00 0.00 O ATOM 2322 HA ASP B 54 68.799 -7.059 -18.199 1.00 0.00 H ATOM 2323 HB2 ASP B 54 69.231 -5.511 -20.782 1.00 0.00 H ATOM 2324 HB3 ASP B 54 70.417 -6.661 -20.121 1.00 0.00 H ATOM 2325 H ASP B 54 67.041 -5.313 -19.735 1.00 0.00 H ATOM 2326 N LYS B 55 69.694 -3.898 -18.360 1.00 0.00 N ATOM 2327 CA LYS B 55 70.587 -2.912 -17.691 1.00 0.00 C ATOM 2328 C LYS B 55 70.170 -2.780 -16.228 1.00 0.00 C ATOM 2329 O LYS B 55 70.987 -2.634 -15.340 1.00 0.00 O ATOM 2330 CB LYS B 55 70.481 -1.555 -18.389 1.00 0.00 C ATOM 2331 CG LYS B 55 71.091 -1.643 -19.789 1.00 0.00 C ATOM 2332 CD LYS B 55 70.978 -0.281 -20.469 1.00 0.00 C ATOM 2333 CE LYS B 55 71.583 -0.349 -21.874 1.00 0.00 C ATOM 2334 NZ LYS B 55 73.046 -0.615 -21.780 1.00 0.00 N ATOM 2335 HA LYS B 55 71.620 -3.254 -17.749 1.00 0.00 H ATOM 2336 HB2 LYS B 55 69.432 -1.270 -18.468 1.00 0.00 H ATOM 2337 HB3 LYS B 55 71.017 -0.805 -17.807 1.00 0.00 H ATOM 2338 HG2 LYS B 55 72.140 -1.928 -19.713 1.00 0.00 H ATOM 2339 HG3 LYS B 55 70.555 -2.390 -20.375 1.00 0.00 H ATOM 2340 HD2 LYS B 55 69.928 0.002 -20.541 1.00 0.00 H ATOM 2341 HD3 LYS B 55 71.514 0.463 -19.880 1.00 0.00 H ATOM 2342 HE2 LYS B 55 71.419 0.600 -22.385 1.00 0.00 H ATOM 2343 HE3 LYS B 55 71.104 -1.151 -22.436 1.00 0.00 H ATOM 2344 HZ1 LYS B 55 73.503 0.151 -21.245 1.00 0.00 H ATOM 2345 HZ2 LYS B 55 73.202 -1.521 -21.293 1.00 0.00 H ATOM 2346 HZ3 LYS B 55 73.451 -0.660 -22.737 1.00 0.00 H ATOM 2347 H LYS B 55 69.000 -3.580 -19.066 1.00 0.00 H ATOM 2348 N VAL B 56 68.893 -2.826 -15.980 1.00 0.00 N ATOM 2349 CA VAL B 56 68.389 -2.698 -14.585 1.00 0.00 C ATOM 2350 C VAL B 56 68.798 -3.934 -13.778 1.00 0.00 C ATOM 2351 O VAL B 56 69.094 -3.851 -12.607 1.00 0.00 O ATOM 2352 CB VAL B 56 66.860 -2.541 -14.618 1.00 0.00 C ATOM 2353 CG1 VAL B 56 66.271 -2.725 -13.219 1.00 0.00 C ATOM 2354 CG2 VAL B 56 66.508 -1.137 -15.125 1.00 0.00 C ATOM 2355 HA VAL B 56 68.821 -1.820 -14.106 1.00 0.00 H ATOM 2356 HB VAL B 56 66.444 -3.300 -15.281 1.00 0.00 H ATOM 2357 HG11 VAL B 56 66.517 -3.721 -12.851 1.00 0.00 H ATOM 2358 HG12 VAL B 56 66.690 -1.975 -12.548 1.00 0.00 H ATOM 2359 HG13 VAL B 56 65.188 -2.610 -13.264 1.00 0.00 H ATOM 2360 HG21 VAL B 56 66.938 -0.392 -14.456 1.00 0.00 H ATOM 2361 HG22 VAL B 56 66.912 -1.003 -16.128 1.00 0.00 H ATOM 2362 HG23 VAL B 56 65.424 -1.022 -15.150 1.00 0.00 H ATOM 2363 H VAL B 56 68.220 -2.953 -16.762 1.00 0.00 H ATOM 2364 N MET B 57 68.818 -5.079 -14.396 1.00 0.00 N ATOM 2365 CA MET B 57 69.215 -6.320 -13.665 1.00 0.00 C ATOM 2366 C MET B 57 70.709 -6.282 -13.356 1.00 0.00 C ATOM 2367 O MET B 57 71.132 -6.655 -12.290 1.00 0.00 O ATOM 2368 CB MET B 57 68.872 -7.564 -14.488 1.00 0.00 C ATOM 2369 CG MET B 57 67.356 -7.754 -14.509 1.00 0.00 C ATOM 2370 SD MET B 57 66.775 -8.261 -12.866 1.00 0.00 S ATOM 2371 CE MET B 57 67.202 -10.023 -12.952 1.00 0.00 C ATOM 2372 HA MET B 57 68.659 -6.369 -12.728 1.00 0.00 H ATOM 2373 HB2 MET B 57 69.238 -7.439 -15.507 1.00 0.00 H ATOM 2374 HB3 MET B 57 69.343 -8.439 -14.039 1.00 0.00 H ATOM 2375 HG2 MET B 57 67.098 -8.523 -15.237 1.00 0.00 H ATOM 2376 HG3 MET B 57 66.878 -6.815 -14.788 1.00 0.00 H ATOM 2377 HE1 MET B 57 66.669 -10.485 -13.783 1.00 0.00 H ATOM 2378 HE2 MET B 57 68.276 -10.128 -13.105 1.00 0.00 H ATOM 2379 HE3 MET B 57 66.917 -10.511 -12.020 1.00 0.00 H ATOM 2380 H MET B 57 68.557 -5.130 -15.401 1.00 0.00 H ATOM 2381 N GLU B 58 71.520 -5.817 -14.260 1.00 0.00 N ATOM 2382 CA GLU B 58 72.971 -5.761 -13.946 1.00 0.00 C ATOM 2383 C GLU B 58 73.133 -4.868 -12.723 1.00 0.00 C ATOM 2384 O GLU B 58 74.054 -5.015 -11.942 1.00 0.00 O ATOM 2385 CB GLU B 58 73.761 -5.179 -15.127 1.00 0.00 C ATOM 2386 CG GLU B 58 73.770 -6.176 -16.285 1.00 0.00 C ATOM 2387 CD GLU B 58 74.527 -5.575 -17.472 1.00 0.00 C ATOM 2388 OE1 GLU B 58 74.901 -4.416 -17.389 1.00 0.00 O ATOM 2389 OE2 GLU B 58 74.715 -6.283 -18.446 1.00 0.00 O ATOM 2390 HA GLU B 58 73.355 -6.763 -13.754 1.00 0.00 H ATOM 2391 HB2 GLU B 58 73.294 -4.250 -15.453 1.00 0.00 H ATOM 2392 HB3 GLU B 58 74.786 -4.978 -14.814 1.00 0.00 H ATOM 2393 HG2 GLU B 58 74.262 -7.096 -15.969 1.00 0.00 H ATOM 2394 HG3 GLU B 58 72.745 -6.397 -16.582 1.00 0.00 H ATOM 2395 H GLU B 58 71.161 -5.492 -15.181 1.00 0.00 H ATOM 2396 N THR B 59 72.229 -3.947 -12.550 1.00 0.00 N ATOM 2397 CA THR B 59 72.312 -3.039 -11.366 1.00 0.00 C ATOM 2398 C THR B 59 71.944 -3.806 -10.086 1.00 0.00 C ATOM 2399 O THR B 59 72.489 -3.562 -9.029 1.00 0.00 O ATOM 2400 CB THR B 59 71.365 -1.848 -11.548 1.00 0.00 C ATOM 2401 OG1 THR B 59 71.709 -1.151 -12.736 1.00 0.00 O ATOM 2402 CG2 THR B 59 71.497 -0.905 -10.353 1.00 0.00 C ATOM 2403 HA THR B 59 73.334 -2.670 -11.278 1.00 0.00 H ATOM 2404 HB THR B 59 70.338 -2.207 -11.617 1.00 0.00 H ATOM 2405 HG1 THR B 59 71.627 -1.762 -13.511 1.00 0.00 H ATOM 2406 HG23 THR B 59 71.233 -1.439 -9.440 1.00 0.00 H ATOM 2407 HG21 THR B 59 72.525 -0.550 -10.284 1.00 0.00 H ATOM 2408 HG22 THR B 59 70.826 -0.056 -10.486 1.00 0.00 H ATOM 2409 H THR B 59 71.452 -3.844 -13.233 1.00 0.00 H ATOM 2410 N LEU B 60 71.012 -4.726 -10.177 1.00 0.00 N ATOM 2411 CA LEU B 60 70.580 -5.515 -8.982 1.00 0.00 C ATOM 2412 C LEU B 60 71.207 -6.896 -9.072 1.00 0.00 C ATOM 2413 O LEU B 60 71.947 -7.328 -8.210 1.00 0.00 O ATOM 2414 CB LEU B 60 69.046 -5.674 -8.984 1.00 0.00 C ATOM 2415 CG LEU B 60 68.371 -4.370 -9.404 1.00 0.00 C ATOM 2416 CD1 LEU B 60 66.886 -4.642 -9.652 1.00 0.00 C ATOM 2417 CD2 LEU B 60 68.542 -3.330 -8.288 1.00 0.00 C ATOM 2418 HA LEU B 60 70.890 -5.002 -8.072 1.00 0.00 H ATOM 2419 HB2 LEU B 60 68.768 -6.463 -9.683 1.00 0.00 H ATOM 2420 HB3 LEU B 60 68.712 -5.944 -7.982 1.00 0.00 H ATOM 2421 HG LEU B 60 68.825 -3.985 -10.317 1.00 0.00 H ATOM 2422 HD21 LEU B 60 68.082 -3.702 -7.373 1.00 0.00 H ATOM 2423 HD22 LEU B 60 69.604 -3.154 -8.117 1.00 0.00 H ATOM 2424 HD23 LEU B 60 68.061 -2.398 -8.585 1.00 0.00 H ATOM 2425 HD11 LEU B 60 66.781 -5.385 -10.443 1.00 0.00 H ATOM 2426 HD12 LEU B 60 66.429 -5.017 -8.736 1.00 0.00 H ATOM 2427 HD13 LEU B 60 66.394 -3.717 -9.953 1.00 0.00 H ATOM 2428 H LEU B 60 70.565 -4.910 -11.098 1.00 0.00 H ATOM 2429 N ASP B 61 70.909 -7.582 -10.136 1.00 0.00 N ATOM 2430 CA ASP B 61 71.467 -8.935 -10.339 1.00 0.00 C ATOM 2431 C ASP B 61 72.956 -8.812 -10.606 1.00 0.00 C ATOM 2432 O ASP B 61 73.463 -9.254 -11.618 1.00 0.00 O ATOM 2433 CB ASP B 61 70.801 -9.581 -11.545 1.00 0.00 C ATOM 2434 CG ASP B 61 71.268 -11.029 -11.665 1.00 0.00 C ATOM 2435 OD1 ASP B 61 72.201 -11.389 -10.965 1.00 0.00 O ATOM 2436 OD2 ASP B 61 70.694 -11.751 -12.459 1.00 0.00 O ATOM 2437 HA ASP B 61 71.290 -9.545 -9.453 1.00 0.00 H ATOM 2438 HB2 ASP B 61 69.718 -9.557 -11.420 1.00 0.00 H ATOM 2439 HB3 ASP B 61 71.073 -9.034 -12.448 1.00 0.00 H ATOM 2440 H ASP B 61 70.272 -7.175 -10.850 1.00 0.00 H ATOM 2441 N GLU B 62 73.658 -8.205 -9.704 1.00 0.00 N ATOM 2442 CA GLU B 62 75.120 -8.035 -9.892 1.00 0.00 C ATOM 2443 C GLU B 62 75.797 -9.397 -9.846 1.00 0.00 C ATOM 2444 O GLU B 62 77.005 -9.507 -9.894 1.00 0.00 O ATOM 2445 CB GLU B 62 75.699 -7.133 -8.797 1.00 0.00 C ATOM 2446 CG GLU B 62 75.175 -5.710 -8.976 1.00 0.00 C ATOM 2447 CD GLU B 62 75.759 -4.809 -7.887 1.00 0.00 C ATOM 2448 OE1 GLU B 62 76.526 -5.309 -7.080 1.00 0.00 O ATOM 2449 OE2 GLU B 62 75.435 -3.634 -7.885 1.00 0.00 O ATOM 2450 HA GLU B 62 75.301 -7.567 -10.860 1.00 0.00 H ATOM 2451 HB2 GLU B 62 75.399 -7.510 -7.819 1.00 0.00 H ATOM 2452 HB3 GLU B 62 76.787 -7.131 -8.866 1.00 0.00 H ATOM 2453 HG2 GLU B 62 75.471 -5.334 -9.956 1.00 0.00 H ATOM 2454 HG3 GLU B 62 74.088 -5.711 -8.902 1.00 0.00 H ATOM 2455 H GLU B 62 73.197 -7.836 -8.847 1.00 0.00 H ATOM 2456 N ASP B 63 75.021 -10.439 -9.796 1.00 0.00 N ATOM 2457 CA ASP B 63 75.600 -11.804 -9.793 1.00 0.00 C ATOM 2458 C ASP B 63 75.616 -12.260 -11.242 1.00 0.00 C ATOM 2459 O ASP B 63 76.457 -13.031 -11.660 1.00 0.00 O ATOM 2460 CB ASP B 63 74.719 -12.738 -8.962 1.00 0.00 C ATOM 2461 CG ASP B 63 74.839 -12.366 -7.481 1.00 0.00 C ATOM 2462 OD1 ASP B 63 75.875 -11.841 -7.105 1.00 0.00 O ATOM 2463 OD2 ASP B 63 73.893 -12.606 -6.750 1.00 0.00 O ATOM 2464 HA ASP B 63 76.601 -11.814 -9.361 1.00 0.00 H ATOM 2465 HB2 ASP B 63 73.681 -12.638 -9.280 1.00 0.00 H ATOM 2466 HB3 ASP B 63 75.044 -13.768 -9.106 1.00 0.00 H ATOM 2467 H ASP B 63 73.989 -10.314 -9.758 1.00 0.00 H ATOM 2468 N GLY B 64 74.686 -11.767 -12.021 1.00 0.00 N ATOM 2469 CA GLY B 64 74.646 -12.156 -13.457 1.00 0.00 C ATOM 2470 C GLY B 64 73.958 -13.503 -13.573 1.00 0.00 C ATOM 2471 O GLY B 64 73.940 -14.129 -14.613 1.00 0.00 O ATOM 2472 HA3 GLY B 64 75.661 -12.227 -13.847 1.00 0.00 H ATOM 2473 HA2 GLY B 64 74.091 -11.409 -14.025 1.00 0.00 H ATOM 2474 H GLY B 64 73.979 -11.107 -11.638 1.00 0.00 H ATOM 2475 N ASP B 65 73.378 -13.950 -12.501 1.00 0.00 N ATOM 2476 CA ASP B 65 72.673 -15.256 -12.535 1.00 0.00 C ATOM 2477 C ASP B 65 71.301 -15.049 -13.170 1.00 0.00 C ATOM 2478 O ASP B 65 70.506 -15.963 -13.273 1.00 0.00 O ATOM 2479 CB ASP B 65 72.520 -15.786 -11.108 1.00 0.00 C ATOM 2480 CG ASP B 65 71.830 -14.734 -10.240 1.00 0.00 C ATOM 2481 OD1 ASP B 65 71.571 -13.654 -10.744 1.00 0.00 O ATOM 2482 OD2 ASP B 65 71.578 -15.025 -9.082 1.00 0.00 O ATOM 2483 HA ASP B 65 73.241 -15.980 -13.119 1.00 0.00 H ATOM 2484 HB2 ASP B 65 71.920 -16.696 -11.121 1.00 0.00 H ATOM 2485 HB3 ASP B 65 73.504 -16.008 -10.696 1.00 0.00 H ATOM 2486 H ASP B 65 73.407 -13.395 -11.622 1.00 0.00 H ATOM 2487 N GLY B 66 71.016 -13.844 -13.593 1.00 0.00 N ATOM 2488 CA GLY B 66 69.693 -13.567 -14.217 1.00 0.00 C ATOM 2489 C GLY B 66 68.630 -13.671 -13.133 1.00 0.00 C ATOM 2490 O GLY B 66 67.507 -14.065 -13.382 1.00 0.00 O ATOM 2491 HA3 GLY B 66 69.494 -14.297 -15.002 1.00 0.00 H ATOM 2492 HA2 GLY B 66 69.688 -12.565 -14.645 1.00 0.00 H ATOM 2493 H GLY B 66 71.714 -13.079 -13.493 1.00 0.00 H ATOM 2494 N GLU B 67 68.988 -13.345 -11.916 1.00 0.00 N ATOM 2495 CA GLU B 67 68.012 -13.447 -10.789 1.00 0.00 C ATOM 2496 C GLU B 67 68.218 -12.290 -9.810 1.00 0.00 C ATOM 2497 O GLU B 67 69.291 -11.727 -9.709 1.00 0.00 O ATOM 2498 CB GLU B 67 68.236 -14.774 -10.050 1.00 0.00 C ATOM 2499 CG GLU B 67 67.913 -15.948 -10.980 1.00 0.00 C ATOM 2500 CD GLU B 67 68.174 -17.264 -10.246 1.00 0.00 C ATOM 2501 OE1 GLU B 67 68.706 -17.211 -9.149 1.00 0.00 O ATOM 2502 OE2 GLU B 67 67.842 -18.302 -10.794 1.00 0.00 O ATOM 2503 HA GLU B 67 66.998 -13.404 -11.188 1.00 0.00 H ATOM 2504 HB2 GLU B 67 69.276 -14.840 -9.732 1.00 0.00 H ATOM 2505 HB3 GLU B 67 67.587 -14.816 -9.176 1.00 0.00 H ATOM 2506 HG2 GLU B 67 66.866 -15.899 -11.278 1.00 0.00 H ATOM 2507 HG3 GLU B 67 68.545 -15.894 -11.867 1.00 0.00 H ATOM 2508 H GLU B 67 69.957 -13.013 -11.733 1.00 0.00 H ATOM 2509 N CYS B 68 67.192 -11.944 -9.076 1.00 0.00 N ATOM 2510 CA CYS B 68 67.296 -10.837 -8.076 1.00 0.00 C ATOM 2511 C CYS B 68 66.689 -11.318 -6.758 1.00 0.00 C ATOM 2512 O CYS B 68 65.576 -11.796 -6.708 1.00 0.00 O ATOM 2513 CB CYS B 68 66.549 -9.606 -8.596 1.00 0.00 C ATOM 2514 SG CYS B 68 66.188 -8.478 -7.222 1.00 0.00 S ATOM 2515 HA CYS B 68 68.339 -10.563 -7.916 1.00 0.00 H ATOM 2516 HB2 CYS B 68 65.615 -9.920 -9.062 1.00 0.00 H ATOM 2517 HB3 CYS B 68 67.167 -9.093 -9.333 1.00 0.00 H ATOM 2518 HG CYS B 68 65.404 -9.127 -6.290 1.00 0.00 H ATOM 2519 H CYS B 68 66.289 -12.447 -9.190 1.00 0.00 H ATOM 2520 N ASP B 69 67.422 -11.207 -5.688 1.00 0.00 N ATOM 2521 CA ASP B 69 66.898 -11.668 -4.375 1.00 0.00 C ATOM 2522 C ASP B 69 66.077 -10.558 -3.738 1.00 0.00 C ATOM 2523 O ASP B 69 66.085 -9.430 -4.187 1.00 0.00 O ATOM 2524 CB ASP B 69 68.063 -12.009 -3.454 1.00 0.00 C ATOM 2525 CG ASP B 69 68.758 -13.273 -3.957 1.00 0.00 C ATOM 2526 OD1 ASP B 69 68.145 -13.998 -4.722 1.00 0.00 O ATOM 2527 OD2 ASP B 69 69.894 -13.493 -3.568 1.00 0.00 O ATOM 2528 HA ASP B 69 66.275 -12.549 -4.527 1.00 0.00 H ATOM 2529 HB2 ASP B 69 68.774 -11.182 -3.445 1.00 0.00 H ATOM 2530 HB3 ASP B 69 67.690 -12.177 -2.443 1.00 0.00 H ATOM 2531 H ASP B 69 68.375 -10.795 -5.752 1.00 0.00 H ATOM 2532 N PHE B 70 65.383 -10.866 -2.683 1.00 0.00 N ATOM 2533 CA PHE B 70 64.577 -9.825 -2.005 1.00 0.00 C ATOM 2534 C PHE B 70 65.488 -8.643 -1.660 1.00 0.00 C ATOM 2535 O PHE B 70 65.134 -7.497 -1.856 1.00 0.00 O ATOM 2536 CB PHE B 70 63.997 -10.421 -0.724 1.00 0.00 C ATOM 2537 CG PHE B 70 65.075 -11.209 -0.023 1.00 0.00 C ATOM 2538 CD1 PHE B 70 65.938 -10.577 0.876 1.00 0.00 C ATOM 2539 CD2 PHE B 70 65.214 -12.576 -0.283 1.00 0.00 C ATOM 2540 CE1 PHE B 70 66.942 -11.313 1.517 1.00 0.00 C ATOM 2541 CE2 PHE B 70 66.216 -13.313 0.359 1.00 0.00 C ATOM 2542 CZ PHE B 70 67.080 -12.680 1.259 1.00 0.00 C ATOM 2543 HA PHE B 70 63.768 -9.483 -2.651 1.00 0.00 H ATOM 2544 HB2 PHE B 70 63.646 -9.620 -0.073 1.00 0.00 H ATOM 2545 HB3 PHE B 70 63.163 -11.079 -0.970 1.00 0.00 H ATOM 2546 HD2 PHE B 70 64.542 -13.068 -0.986 1.00 0.00 H ATOM 2547 HE2 PHE B 70 66.323 -14.379 0.158 1.00 0.00 H ATOM 2548 HZ PHE B 70 67.861 -13.253 1.759 1.00 0.00 H ATOM 2549 HE1 PHE B 70 67.616 -10.820 2.217 1.00 0.00 H ATOM 2550 HD1 PHE B 70 65.830 -9.511 1.078 1.00 0.00 H ATOM 2551 H PHE B 70 65.394 -11.839 -2.317 1.00 0.00 H ATOM 2552 N GLN B 71 66.667 -8.915 -1.164 1.00 0.00 N ATOM 2553 CA GLN B 71 67.609 -7.811 -0.824 1.00 0.00 C ATOM 2554 C GLN B 71 67.988 -7.040 -2.097 1.00 0.00 C ATOM 2555 O GLN B 71 68.094 -5.831 -2.090 1.00 0.00 O ATOM 2556 CB GLN B 71 68.883 -8.398 -0.191 1.00 0.00 C ATOM 2557 CG GLN B 71 69.856 -7.264 0.162 1.00 0.00 C ATOM 2558 CD GLN B 71 71.118 -7.840 0.808 1.00 0.00 C ATOM 2559 OE1 GLN B 71 71.170 -9.005 1.141 1.00 0.00 O ATOM 2560 NE2 GLN B 71 72.143 -7.057 1.018 1.00 0.00 N ATOM 2561 HA GLN B 71 67.126 -7.134 -0.119 1.00 0.00 H ATOM 2562 HB2 GLN B 71 68.619 -8.944 0.715 1.00 0.00 H ATOM 2563 HB3 GLN B 71 69.359 -9.077 -0.898 1.00 0.00 H ATOM 2564 HG2 GLN B 71 70.128 -6.726 -0.746 1.00 0.00 H ATOM 2565 HG3 GLN B 71 69.374 -6.578 0.859 1.00 0.00 H ATOM 2566 HE22 GLN B 71 72.101 -6.058 0.733 1.00 0.00 H ATOM 2567 HE21 GLN B 71 73.001 -7.433 1.470 1.00 0.00 H ATOM 2568 H GLN B 71 66.948 -9.904 -1.006 1.00 0.00 H ATOM 2569 N GLU B 72 68.209 -7.729 -3.187 1.00 0.00 N ATOM 2570 CA GLU B 72 68.602 -7.027 -4.442 1.00 0.00 C ATOM 2571 C GLU B 72 67.428 -6.218 -4.993 1.00 0.00 C ATOM 2572 O GLU B 72 67.591 -5.109 -5.463 1.00 0.00 O ATOM 2573 CB GLU B 72 69.056 -8.065 -5.474 1.00 0.00 C ATOM 2574 CG GLU B 72 70.394 -8.671 -5.038 1.00 0.00 C ATOM 2575 CD GLU B 72 70.884 -9.653 -6.106 1.00 0.00 C ATOM 2576 OE1 GLU B 72 70.355 -9.613 -7.204 1.00 0.00 O ATOM 2577 OE2 GLU B 72 71.782 -10.425 -5.810 1.00 0.00 O ATOM 2578 HA GLU B 72 69.420 -6.339 -4.228 1.00 0.00 H ATOM 2579 HB2 GLU B 72 68.307 -8.854 -5.549 1.00 0.00 H ATOM 2580 HB3 GLU B 72 69.174 -7.584 -6.445 1.00 0.00 H ATOM 2581 HG2 GLU B 72 71.129 -7.876 -4.911 1.00 0.00 H ATOM 2582 HG3 GLU B 72 70.263 -9.198 -4.093 1.00 0.00 H ATOM 2583 H GLU B 72 68.111 -8.764 -3.178 1.00 0.00 H ATOM 2584 N PHE B 73 66.251 -6.758 -4.926 1.00 0.00 N ATOM 2585 CA PHE B 73 65.055 -6.026 -5.434 1.00 0.00 C ATOM 2586 C PHE B 73 64.789 -4.812 -4.536 1.00 0.00 C ATOM 2587 O PHE B 73 64.386 -3.753 -4.987 1.00 0.00 O ATOM 2588 CB PHE B 73 63.851 -6.997 -5.423 1.00 0.00 C ATOM 2589 CG PHE B 73 62.556 -6.268 -5.098 1.00 0.00 C ATOM 2590 CD1 PHE B 73 62.113 -5.226 -5.918 1.00 0.00 C ATOM 2591 CD2 PHE B 73 61.813 -6.629 -3.966 1.00 0.00 C ATOM 2592 CE1 PHE B 73 60.927 -4.546 -5.608 1.00 0.00 C ATOM 2593 CE2 PHE B 73 60.628 -5.952 -3.659 1.00 0.00 C ATOM 2594 CZ PHE B 73 60.185 -4.910 -4.479 1.00 0.00 C ATOM 2595 HA PHE B 73 65.218 -5.670 -6.451 1.00 0.00 H ATOM 2596 HB2 PHE B 73 63.760 -7.462 -6.405 1.00 0.00 H ATOM 2597 HB3 PHE B 73 64.023 -7.768 -4.672 1.00 0.00 H ATOM 2598 HD2 PHE B 73 62.159 -7.439 -3.324 1.00 0.00 H ATOM 2599 HE2 PHE B 73 60.050 -6.237 -2.780 1.00 0.00 H ATOM 2600 HZ PHE B 73 59.262 -4.382 -4.239 1.00 0.00 H ATOM 2601 HE1 PHE B 73 60.583 -3.733 -6.247 1.00 0.00 H ATOM 2602 HD1 PHE B 73 62.690 -4.942 -6.798 1.00 0.00 H ATOM 2603 H PHE B 73 66.140 -7.707 -4.516 1.00 0.00 H ATOM 2604 N MET B 74 64.991 -4.970 -3.265 1.00 0.00 N ATOM 2605 CA MET B 74 64.729 -3.844 -2.332 1.00 0.00 C ATOM 2606 C MET B 74 65.637 -2.666 -2.700 1.00 0.00 C ATOM 2607 O MET B 74 65.278 -1.512 -2.561 1.00 0.00 O ATOM 2608 CB MET B 74 64.993 -4.310 -0.893 1.00 0.00 C ATOM 2609 CG MET B 74 64.105 -3.527 0.080 1.00 0.00 C ATOM 2610 SD MET B 74 64.535 -1.767 0.009 1.00 0.00 S ATOM 2611 CE MET B 74 63.671 -1.229 1.508 1.00 0.00 C ATOM 2612 HA MET B 74 63.691 -3.521 -2.408 1.00 0.00 H ATOM 2613 HB2 MET B 74 64.770 -5.374 -0.811 1.00 0.00 H ATOM 2614 HB3 MET B 74 66.040 -4.140 -0.644 1.00 0.00 H ATOM 2615 HG2 MET B 74 64.260 -3.899 1.093 1.00 0.00 H ATOM 2616 HG3 MET B 74 63.059 -3.657 -0.197 1.00 0.00 H ATOM 2617 HE1 MET B 74 62.607 -1.444 1.409 1.00 0.00 H ATOM 2618 HE2 MET B 74 64.073 -1.763 2.369 1.00 0.00 H ATOM 2619 HE3 MET B 74 63.815 -0.157 1.644 1.00 0.00 H ATOM 2620 H MET B 74 65.335 -5.881 -2.900 1.00 0.00 H ATOM 2621 N ALA B 75 66.816 -2.953 -3.159 1.00 0.00 N ATOM 2622 CA ALA B 75 67.751 -1.860 -3.526 1.00 0.00 C ATOM 2623 C ALA B 75 67.238 -1.121 -4.758 1.00 0.00 C ATOM 2624 O ALA B 75 67.485 0.056 -4.927 1.00 0.00 O ATOM 2625 CB ALA B 75 69.132 -2.445 -3.817 1.00 0.00 C ATOM 2626 HA ALA B 75 67.820 -1.158 -2.695 1.00 0.00 H ATOM 2627 HB1 ALA B 75 69.503 -2.957 -2.929 1.00 0.00 H ATOM 2628 HB2 ALA B 75 69.059 -3.153 -4.643 1.00 0.00 H ATOM 2629 HB3 ALA B 75 69.817 -1.641 -4.086 1.00 0.00 H ATOM 2630 H ALA B 75 67.105 -3.946 -3.270 1.00 0.00 H ATOM 2631 N PHE B 76 66.524 -1.786 -5.620 1.00 0.00 N ATOM 2632 CA PHE B 76 66.008 -1.088 -6.828 1.00 0.00 C ATOM 2633 C PHE B 76 65.120 0.060 -6.384 1.00 0.00 C ATOM 2634 O PHE B 76 65.157 1.140 -6.932 1.00 0.00 O ATOM 2635 CB PHE B 76 65.172 -2.057 -7.661 1.00 0.00 C ATOM 2636 CG PHE B 76 64.638 -1.343 -8.882 1.00 0.00 C ATOM 2637 CD1 PHE B 76 65.469 -1.100 -9.985 1.00 0.00 C ATOM 2638 CD2 PHE B 76 63.302 -0.924 -8.911 1.00 0.00 C ATOM 2639 CE1 PHE B 76 64.964 -0.440 -11.110 1.00 0.00 C ATOM 2640 CE2 PHE B 76 62.800 -0.263 -10.036 1.00 0.00 C ATOM 2641 CZ PHE B 76 63.629 -0.021 -11.134 1.00 0.00 C ATOM 2642 HA PHE B 76 66.844 -0.719 -7.423 1.00 0.00 H ATOM 2643 HB2 PHE B 76 65.793 -2.897 -7.974 1.00 0.00 H ATOM 2644 HB3 PHE B 76 64.339 -2.426 -7.062 1.00 0.00 H ATOM 2645 HD2 PHE B 76 62.653 -1.113 -8.056 1.00 0.00 H ATOM 2646 HE2 PHE B 76 61.760 0.064 -10.056 1.00 0.00 H ATOM 2647 HZ PHE B 76 63.236 0.495 -12.010 1.00 0.00 H ATOM 2648 HE1 PHE B 76 65.610 -0.252 -11.968 1.00 0.00 H ATOM 2649 HD1 PHE B 76 66.509 -1.426 -9.966 1.00 0.00 H ATOM 2650 H PHE B 76 66.317 -2.793 -5.466 1.00 0.00 H ATOM 2651 N VAL B 77 64.327 -0.163 -5.385 1.00 0.00 N ATOM 2652 CA VAL B 77 63.431 0.921 -4.898 1.00 0.00 C ATOM 2653 C VAL B 77 64.287 2.106 -4.454 1.00 0.00 C ATOM 2654 O VAL B 77 63.980 3.249 -4.727 1.00 0.00 O ATOM 2655 CB VAL B 77 62.611 0.407 -3.702 1.00 0.00 C ATOM 2656 CG1 VAL B 77 61.287 1.168 -3.600 1.00 0.00 C ATOM 2657 CG2 VAL B 77 62.340 -1.085 -3.876 1.00 0.00 C ATOM 2658 HA VAL B 77 62.754 1.229 -5.695 1.00 0.00 H ATOM 2659 HB VAL B 77 63.178 0.570 -2.785 1.00 0.00 H ATOM 2660 HG11 VAL B 77 61.490 2.230 -3.463 1.00 0.00 H ATOM 2661 HG12 VAL B 77 60.713 1.021 -4.515 1.00 0.00 H ATOM 2662 HG13 VAL B 77 60.718 0.793 -2.749 1.00 0.00 H ATOM 2663 HG21 VAL B 77 61.781 -1.246 -4.798 1.00 0.00 H ATOM 2664 HG22 VAL B 77 63.287 -1.622 -3.926 1.00 0.00 H ATOM 2665 HG23 VAL B 77 61.759 -1.449 -3.028 1.00 0.00 H ATOM 2666 H VAL B 77 64.316 -1.096 -4.925 1.00 0.00 H ATOM 2667 N SER B 78 65.356 1.832 -3.757 1.00 0.00 N ATOM 2668 CA SER B 78 66.233 2.930 -3.277 1.00 0.00 C ATOM 2669 C SER B 78 66.774 3.716 -4.460 1.00 0.00 C ATOM 2670 O SER B 78 66.807 4.932 -4.448 1.00 0.00 O ATOM 2671 CB SER B 78 67.400 2.345 -2.484 1.00 0.00 C ATOM 2672 OG SER B 78 68.151 3.406 -1.907 1.00 0.00 O ATOM 2673 HA SER B 78 65.652 3.594 -2.638 1.00 0.00 H ATOM 2674 HB2 SER B 78 68.039 1.765 -3.150 1.00 0.00 H ATOM 2675 HB3 SER B 78 67.017 1.698 -1.695 1.00 0.00 H ATOM 2676 HG SER B 78 68.909 3.031 -1.392 1.00 0.00 H ATOM 2677 H SER B 78 65.594 0.844 -3.538 1.00 0.00 H ATOM 2678 N MET B 79 67.211 3.043 -5.482 1.00 0.00 N ATOM 2679 CA MET B 79 67.756 3.776 -6.650 1.00 0.00 C ATOM 2680 C MET B 79 66.669 4.654 -7.248 1.00 0.00 C ATOM 2681 O MET B 79 66.890 5.809 -7.550 1.00 0.00 O ATOM 2682 CB MET B 79 68.265 2.786 -7.698 1.00 0.00 C ATOM 2683 CG MET B 79 68.962 3.557 -8.819 1.00 0.00 C ATOM 2684 SD MET B 79 69.555 2.402 -10.084 1.00 0.00 S ATOM 2685 CE MET B 79 67.942 1.794 -10.637 1.00 0.00 C ATOM 2686 HA MET B 79 68.588 4.402 -6.327 1.00 0.00 H ATOM 2687 HB2 MET B 79 68.971 2.096 -7.236 1.00 0.00 H ATOM 2688 HB3 MET B 79 67.425 2.225 -8.108 1.00 0.00 H ATOM 2689 HG2 MET B 79 69.807 4.109 -8.408 1.00 0.00 H ATOM 2690 HG3 MET B 79 68.258 4.257 -9.269 1.00 0.00 H ATOM 2691 HE1 MET B 79 67.423 1.331 -9.798 1.00 0.00 H ATOM 2692 HE2 MET B 79 67.351 2.628 -11.016 1.00 0.00 H ATOM 2693 HE3 MET B 79 68.084 1.058 -11.429 1.00 0.00 H ATOM 2694 H MET B 79 67.179 2.003 -5.481 1.00 0.00 H ATOM 2695 N VAL B 80 65.490 4.125 -7.408 1.00 0.00 N ATOM 2696 CA VAL B 80 64.392 4.948 -7.975 1.00 0.00 C ATOM 2697 C VAL B 80 64.004 6.009 -6.946 1.00 0.00 C ATOM 2698 O VAL B 80 63.713 7.140 -7.286 1.00 0.00 O ATOM 2699 CB VAL B 80 63.190 4.060 -8.316 1.00 0.00 C ATOM 2700 CG1 VAL B 80 62.124 4.885 -9.037 1.00 0.00 C ATOM 2701 CG2 VAL B 80 63.639 2.927 -9.237 1.00 0.00 C ATOM 2702 HA VAL B 80 64.721 5.433 -8.894 1.00 0.00 H ATOM 2703 HB VAL B 80 62.778 3.651 -7.393 1.00 0.00 H ATOM 2704 HG11 VAL B 80 61.799 5.700 -8.391 1.00 0.00 H ATOM 2705 HG12 VAL B 80 62.543 5.294 -9.956 1.00 0.00 H ATOM 2706 HG13 VAL B 80 61.273 4.247 -9.276 1.00 0.00 H ATOM 2707 HG21 VAL B 80 64.052 3.348 -10.154 1.00 0.00 H ATOM 2708 HG22 VAL B 80 64.400 2.331 -8.734 1.00 0.00 H ATOM 2709 HG23 VAL B 80 62.783 2.296 -9.479 1.00 0.00 H ATOM 2710 H VAL B 80 65.319 3.135 -7.141 1.00 0.00 H ATOM 2711 N THR B 81 64.016 5.662 -5.684 1.00 0.00 N ATOM 2712 CA THR B 81 63.667 6.669 -4.639 1.00 0.00 C ATOM 2713 C THR B 81 64.672 7.807 -4.704 1.00 0.00 C ATOM 2714 O THR B 81 64.332 8.965 -4.564 1.00 0.00 O ATOM 2715 CB THR B 81 63.734 6.031 -3.247 1.00 0.00 C ATOM 2716 OG1 THR B 81 62.793 4.970 -3.160 1.00 0.00 O ATOM 2717 CG2 THR B 81 63.434 7.086 -2.173 1.00 0.00 C ATOM 2718 HA THR B 81 62.657 7.037 -4.817 1.00 0.00 H ATOM 2719 HB THR B 81 64.736 5.634 -3.083 1.00 0.00 H ATOM 2720 HG1 THR B 81 63.003 4.287 -3.845 1.00 0.00 H ATOM 2721 HG23 THR B 81 64.160 7.895 -2.248 1.00 0.00 H ATOM 2722 HG21 THR B 81 62.430 7.482 -2.325 1.00 0.00 H ATOM 2723 HG22 THR B 81 63.499 6.627 -1.186 1.00 0.00 H ATOM 2724 H THR B 81 64.267 4.690 -5.411 1.00 0.00 H ATOM 2725 N THR B 82 65.914 7.480 -4.911 1.00 0.00 N ATOM 2726 CA THR B 82 66.957 8.536 -4.976 1.00 0.00 C ATOM 2727 C THR B 82 66.742 9.377 -6.233 1.00 0.00 C ATOM 2728 O THR B 82 66.874 10.585 -6.220 1.00 0.00 O ATOM 2729 CB THR B 82 68.341 7.872 -5.027 1.00 0.00 C ATOM 2730 OG1 THR B 82 68.452 6.939 -3.957 1.00 0.00 O ATOM 2731 CG2 THR B 82 69.437 8.930 -4.879 1.00 0.00 C ATOM 2732 HA THR B 82 66.894 9.177 -4.097 1.00 0.00 H ATOM 2733 HB THR B 82 68.457 7.363 -5.984 1.00 0.00 H ATOM 2734 HG1 THR B 82 67.748 6.249 -4.048 1.00 0.00 H ATOM 2735 HG23 THR B 82 69.359 9.649 -5.695 1.00 0.00 H ATOM 2736 HG21 THR B 82 69.316 9.445 -3.926 1.00 0.00 H ATOM 2737 HG22 THR B 82 70.413 8.447 -4.911 1.00 0.00 H ATOM 2738 H THR B 82 66.176 6.481 -5.031 1.00 0.00 H ATOM 2739 N ALA B 83 66.409 8.743 -7.325 1.00 0.00 N ATOM 2740 CA ALA B 83 66.189 9.500 -8.586 1.00 0.00 C ATOM 2741 C ALA B 83 64.907 10.325 -8.476 1.00 0.00 C ATOM 2742 O ALA B 83 64.850 11.466 -8.894 1.00 0.00 O ATOM 2743 CB ALA B 83 66.071 8.509 -9.746 1.00 0.00 C ATOM 2744 HA ALA B 83 67.028 10.174 -8.763 1.00 0.00 H ATOM 2745 HB1 ALA B 83 66.990 7.928 -9.820 1.00 0.00 H ATOM 2746 HB2 ALA B 83 65.230 7.840 -9.566 1.00 0.00 H ATOM 2747 HB3 ALA B 83 65.909 9.056 -10.675 1.00 0.00 H ATOM 2748 H ALA B 83 66.298 7.709 -7.313 1.00 0.00 H ATOM 2749 N CYS B 84 63.877 9.756 -7.916 1.00 0.00 N ATOM 2750 CA CYS B 84 62.600 10.505 -7.779 1.00 0.00 C ATOM 2751 C CYS B 84 62.837 11.742 -6.908 1.00 0.00 C ATOM 2752 O CYS B 84 62.330 12.810 -7.177 1.00 0.00 O ATOM 2753 CB CYS B 84 61.545 9.612 -7.116 1.00 0.00 C ATOM 2754 SG CYS B 84 59.931 10.428 -7.201 1.00 0.00 S ATOM 2755 HA CYS B 84 62.247 10.807 -8.765 1.00 0.00 H ATOM 2756 HB2 CYS B 84 61.814 9.443 -6.073 1.00 0.00 H ATOM 2757 HB3 CYS B 84 61.498 8.656 -7.637 1.00 0.00 H ATOM 2758 HG CYS B 84 58.980 9.626 -6.605 1.00 0.00 H ATOM 2759 H CYS B 84 63.948 8.779 -7.565 1.00 0.00 H ATOM 2760 N HIS B 85 63.609 11.602 -5.865 1.00 0.00 N ATOM 2761 CA HIS B 85 63.880 12.768 -4.975 1.00 0.00 C ATOM 2762 C HIS B 85 64.551 13.880 -5.780 1.00 0.00 C ATOM 2763 O HIS B 85 64.280 15.050 -5.589 1.00 0.00 O ATOM 2764 CB HIS B 85 64.788 12.344 -3.820 1.00 0.00 C ATOM 2765 CG HIS B 85 65.049 13.534 -2.936 1.00 0.00 C ATOM 2766 ND1 HIS B 85 66.171 14.337 -3.087 1.00 0.00 N ATOM 2767 CD2 HIS B 85 64.335 14.080 -1.897 1.00 0.00 C ATOM 2768 CE1 HIS B 85 66.100 15.313 -2.162 1.00 0.00 C ATOM 2769 NE2 HIS B 85 65.002 15.199 -1.414 1.00 0.00 N ATOM 2770 HA HIS B 85 62.938 13.135 -4.568 1.00 0.00 H ATOM 2771 HB2 HIS B 85 64.301 11.559 -3.242 1.00 0.00 H ATOM 2772 HB3 HIS B 85 65.732 11.969 -4.216 1.00 0.00 H ATOM 2773 HD2 HIS B 85 63.391 13.695 -1.511 1.00 0.00 H ATOM 2774 HE1 HIS B 85 66.846 16.098 -2.040 1.00 0.00 H ATOM 2775 H HIS B 85 64.035 10.677 -5.654 1.00 0.00 H ATOM 2776 N GLU B 86 65.430 13.523 -6.675 1.00 0.00 N ATOM 2777 CA GLU B 86 66.125 14.561 -7.493 1.00 0.00 C ATOM 2778 C GLU B 86 65.070 15.401 -8.220 1.00 0.00 C ATOM 2779 O GLU B 86 65.263 16.575 -8.463 1.00 0.00 O ATOM 2780 CB GLU B 86 67.046 13.902 -8.530 1.00 0.00 C ATOM 2781 CG GLU B 86 67.865 14.977 -9.262 1.00 0.00 C ATOM 2782 CD GLU B 86 68.871 15.610 -8.295 1.00 0.00 C ATOM 2783 OE1 GLU B 86 69.157 14.994 -7.283 1.00 0.00 O ATOM 2784 OE2 GLU B 86 69.338 16.702 -8.584 1.00 0.00 O ATOM 2785 HA GLU B 86 66.729 15.188 -6.837 1.00 0.00 H ATOM 2786 HB2 GLU B 86 67.723 13.213 -8.026 1.00 0.00 H ATOM 2787 HB3 GLU B 86 66.442 13.353 -9.253 1.00 0.00 H ATOM 2788 HG2 GLU B 86 68.401 14.520 -10.094 1.00 0.00 H ATOM 2789 HG3 GLU B 86 67.194 15.747 -9.642 1.00 0.00 H ATOM 2790 H GLU B 86 65.647 12.516 -6.819 1.00 0.00 H ATOM 2791 N PHE B 87 63.954 14.813 -8.567 1.00 0.00 N ATOM 2792 CA PHE B 87 62.890 15.589 -9.272 1.00 0.00 C ATOM 2793 C PHE B 87 62.599 16.870 -8.486 1.00 0.00 C ATOM 2794 O PHE B 87 62.293 17.900 -9.054 1.00 0.00 O ATOM 2795 CB PHE B 87 61.609 14.757 -9.352 1.00 0.00 C ATOM 2796 CG PHE B 87 60.542 15.554 -10.066 1.00 0.00 C ATOM 2797 CD1 PHE B 87 59.687 16.383 -9.331 1.00 0.00 C ATOM 2798 CD2 PHE B 87 60.404 15.463 -11.454 1.00 0.00 C ATOM 2799 CE1 PHE B 87 58.695 17.124 -9.984 1.00 0.00 C ATOM 2800 CE2 PHE B 87 59.412 16.203 -12.109 1.00 0.00 C ATOM 2801 CZ PHE B 87 58.556 17.034 -11.374 1.00 0.00 C ATOM 2802 HA PHE B 87 63.230 15.833 -10.278 1.00 0.00 H ATOM 2803 HB2 PHE B 87 61.806 13.836 -9.901 1.00 0.00 H ATOM 2804 HB3 PHE B 87 61.269 14.512 -8.346 1.00 0.00 H ATOM 2805 HD2 PHE B 87 61.069 14.816 -12.026 1.00 0.00 H ATOM 2806 HE2 PHE B 87 59.306 16.133 -13.192 1.00 0.00 H ATOM 2807 HZ PHE B 87 57.783 17.609 -11.884 1.00 0.00 H ATOM 2808 HE1 PHE B 87 58.031 17.771 -9.410 1.00 0.00 H ATOM 2809 HD1 PHE B 87 59.794 16.452 -8.248 1.00 0.00 H ATOM 2810 H PHE B 87 63.808 13.806 -8.352 1.00 0.00 H ATOM 2811 N PHE B 88 62.689 16.819 -7.184 1.00 0.00 N ATOM 2812 CA PHE B 88 62.420 18.034 -6.373 1.00 0.00 C ATOM 2813 C PHE B 88 63.700 18.855 -6.271 1.00 0.00 C ATOM 2814 O PHE B 88 64.693 18.422 -5.724 1.00 0.00 O ATOM 2815 CB PHE B 88 61.966 17.639 -4.967 1.00 0.00 C ATOM 2816 CG PHE B 88 60.576 17.057 -5.026 1.00 0.00 C ATOM 2817 CD1 PHE B 88 59.465 17.896 -4.892 1.00 0.00 C ATOM 2818 CD2 PHE B 88 60.396 15.683 -5.208 1.00 0.00 C ATOM 2819 CE1 PHE B 88 58.172 17.360 -4.939 1.00 0.00 C ATOM 2820 CE2 PHE B 88 59.102 15.144 -5.253 1.00 0.00 C ATOM 2821 CZ PHE B 88 57.990 15.983 -5.119 1.00 0.00 C ATOM 2822 HA PHE B 88 61.634 18.618 -6.851 1.00 0.00 H ATOM 2823 HB2 PHE B 88 62.653 16.897 -4.559 1.00 0.00 H ATOM 2824 HB3 PHE B 88 61.963 18.521 -4.326 1.00 0.00 H ATOM 2825 HD2 PHE B 88 61.262 15.030 -5.315 1.00 0.00 H ATOM 2826 HE2 PHE B 88 58.962 14.072 -5.392 1.00 0.00 H ATOM 2827 HZ PHE B 88 56.984 15.565 -5.155 1.00 0.00 H ATOM 2828 HE1 PHE B 88 57.307 18.015 -4.835 1.00 0.00 H ATOM 2829 HD1 PHE B 88 59.606 18.968 -4.751 1.00 0.00 H ATOM 2830 H PHE B 88 62.949 15.928 -6.715 1.00 0.00 H ATOM 2831 N GLU B 89 63.674 20.043 -6.795 1.00 0.00 N ATOM 2832 CA GLU B 89 64.873 20.926 -6.744 1.00 0.00 C ATOM 2833 C GLU B 89 64.696 21.923 -5.603 1.00 0.00 C ATOM 2834 O GLU B 89 63.890 21.732 -4.715 1.00 0.00 O ATOM 2835 CB GLU B 89 65.006 21.685 -8.069 1.00 0.00 C ATOM 2836 CG GLU B 89 65.244 20.689 -9.206 1.00 0.00 C ATOM 2837 CD GLU B 89 65.374 21.448 -10.526 1.00 0.00 C ATOM 2838 OE1 GLU B 89 65.090 22.635 -10.535 1.00 0.00 O ATOM 2839 OE2 GLU B 89 65.752 20.830 -11.509 1.00 0.00 O ATOM 2840 HA GLU B 89 65.770 20.328 -6.582 1.00 0.00 H ATOM 2841 HB2 GLU B 89 64.090 22.244 -8.261 1.00 0.00 H ATOM 2842 HB3 GLU B 89 65.847 22.376 -8.009 1.00 0.00 H ATOM 2843 HG2 GLU B 89 66.161 20.131 -9.015 1.00 0.00 H ATOM 2844 HG3 GLU B 89 64.404 19.997 -9.265 1.00 0.00 H ATOM 2845 H GLU B 89 62.806 20.382 -7.256 1.00 0.00 H ATOM 2846 N HIS B 90 65.442 22.984 -5.624 1.00 0.00 N ATOM 2847 CA HIS B 90 65.328 24.002 -4.541 1.00 0.00 C ATOM 2848 C HIS B 90 63.905 24.568 -4.512 1.00 0.00 C ATOM 2849 O HIS B 90 63.337 24.799 -3.461 1.00 0.00 O ATOM 2850 CB HIS B 90 66.319 25.139 -4.812 1.00 0.00 C ATOM 2851 CG HIS B 90 67.725 24.655 -4.593 1.00 0.00 C ATOM 2852 ND1 HIS B 90 68.541 24.247 -5.640 1.00 0.00 N ATOM 2853 CD2 HIS B 90 68.483 24.527 -3.455 1.00 0.00 C ATOM 2854 CE1 HIS B 90 69.732 23.903 -5.114 1.00 0.00 C ATOM 2855 NE2 HIS B 90 69.745 24.056 -3.789 1.00 0.00 N ATOM 2856 HA HIS B 90 65.551 23.537 -3.581 1.00 0.00 H ATOM 2857 HB2 HIS B 90 66.209 25.477 -5.842 1.00 0.00 H ATOM 2858 HB3 HIS B 90 66.112 25.968 -4.135 1.00 0.00 H ATOM 2859 HD2 HIS B 90 68.145 24.760 -2.445 1.00 0.00 H ATOM 2860 HE1 HIS B 90 70.580 23.544 -5.698 1.00 0.00 H ATOM 2861 H HIS B 90 66.122 23.125 -6.399 1.00 0.00 H ATOM 2862 N GLU B 91 63.325 24.793 -5.655 1.00 0.00 N ATOM 2863 CA GLU B 91 61.941 25.347 -5.692 1.00 0.00 C ATOM 2864 C GLU B 91 60.944 24.240 -5.346 1.00 0.00 C ATOM 2865 O GLU B 91 59.755 24.487 -5.451 1.00 0.00 O ATOM 2866 CB GLU B 91 61.646 25.904 -7.093 1.00 0.00 C ATOM 2867 CG GLU B 91 61.735 24.783 -8.136 1.00 0.00 C ATOM 2868 CD GLU B 91 61.445 25.353 -9.523 1.00 0.00 C ATOM 2869 OE1 GLU B 91 60.903 26.443 -9.591 1.00 0.00 O ATOM 2870 OE2 GLU B 91 61.768 24.689 -10.494 1.00 0.00 O ATOM 2871 HA GLU B 91 61.848 26.153 -4.965 1.00 0.00 H ATOM 2872 OXT GLU B 91 61.389 23.163 -4.984 1.00 0.00 O ATOM 2873 HB2 GLU B 91 60.643 26.331 -7.107 1.00 0.00 H ATOM 2874 HB3 GLU B 91 62.374 26.679 -7.334 1.00 0.00 H ATOM 2875 HG2 GLU B 91 62.736 24.352 -8.122 1.00 0.00 H ATOM 2876 HG3 GLU B 91 61.004 24.009 -7.901 1.00 0.00 H ATOM 2877 H GLU B 91 63.827 24.587 -6.542 1.00 0.00 H TER 2878 GLU B 91 HETATM 2879 CA CA A 1 70.423 15.266 8.012 1.00 0.00 CA HETATM 2880 CA CA A 2 79.092 7.031 4.944 1.00 0.00 CA HETATM 2881 CA CA A 3 59.736 -14.496 -7.067 1.00 0.00 CA HETATM 2882 CA CA A 4 71.618 -11.888 -8.213 1.00 0.00 CA HETATM 2883 N THR A 5 49.826 -12.278 23.183 1.00 0.24 N HETATM 2884 CA THR A 5 50.732 -12.936 22.198 1.00 0.09 C HETATM 2885 C THR A 5 51.573 -11.877 21.473 1.00 0.23 C HETATM 2886 O THR A 5 51.283 -11.511 20.350 1.00 -0.39 O HETATM 2887 N THR A 5 52.617 -11.392 22.100 1.00 -0.26 N HETATM 2888 CA THR A 5 53.494 -10.363 21.447 1.00 0.13 C HETATM 2889 C THR A 5 54.958 -10.711 21.719 1.00 0.20 C HETATM 2890 O THR A 5 55.349 -10.968 22.842 1.00 -0.39 O HETATM 2891 N THR A 5 55.768 -10.718 20.695 1.00 -0.26 N HETATM 2892 CA THR A 5 57.217 -11.048 20.867 1.00 0.16 C HETATM 2893 C THR A 5 58.057 -10.119 19.991 1.00 0.21 C HETATM 2894 O THR A 5 57.563 -9.512 19.059 1.00 -0.39 O HETATM 2895 N THR A 5 59.325 -10.003 20.292 1.00 -0.26 N HETATM 2896 CA THR A 5 60.233 -9.112 19.501 1.00 0.13 C HETATM 2897 C THR A 5 61.265 -9.965 18.761 1.00 0.20 C HETATM 2898 O THR A 5 61.766 -10.941 19.282 1.00 -0.39 O HETATM 2899 N THR A 5 61.581 -9.605 17.545 1.00 -0.26 N HETATM 2900 CA THR A 5 62.581 -10.389 16.764 1.00 0.13 C HETATM 2901 C THR A 5 63.925 -10.355 17.507 1.00 0.20 C HETATM 2902 O THR A 5 63.980 -10.543 18.706 1.00 -0.39 O HETATM 2903 N THR A 5 65.015 -10.114 16.814 1.00 -0.26 N HETATM 2904 CA THR A 5 66.341 -10.067 17.503 1.00 0.14 C HETATM 2905 C THR A 5 67.238 -8.975 16.902 1.00 0.21 C HETATM 2906 O THR A 5 67.574 -8.998 15.732 1.00 -0.39 O HETATM 2907 N THR A 5 67.649 -8.031 17.713 1.00 -0.26 N HETATM 2908 CA THR A 5 68.552 -6.946 17.225 1.00 0.14 C HETATM 2909 C THR A 5 69.896 -7.588 16.844 1.00 0.21 C HETATM 2910 O THR A 5 70.509 -7.241 15.861 1.00 -0.39 O HETATM 2911 N THR A 5 70.356 -8.529 17.629 1.00 -0.26 N HETATM 2912 CA THR A 5 71.665 -9.170 17.328 1.00 0.15 C HETATM 2913 C THR A 5 71.636 -9.847 15.959 1.00 0.21 C HETATM 2914 O THR A 5 72.584 -9.766 15.205 1.00 -0.39 O HETATM 2915 N THR A 5 70.572 -10.510 15.623 1.00 -0.26 N HETATM 2916 CA THR A 5 70.518 -11.172 14.292 1.00 0.13 C HETATM 2917 C THR A 5 70.667 -10.106 13.206 1.00 0.20 C HETATM 2918 O THR A 5 71.326 -10.305 12.205 1.00 -0.39 O HETATM 2919 N THR A 5 70.047 -8.974 13.399 1.00 -0.26 N HETATM 2920 CA THR A 5 70.132 -7.891 12.379 1.00 0.13 C HETATM 2921 C THR A 5 71.543 -7.286 12.341 1.00 0.20 C HETATM 2922 O THR A 5 72.068 -6.990 11.285 1.00 -0.39 O HETATM 2923 N THR A 5 72.161 -7.090 13.475 1.00 -0.26 N HETATM 2924 CA THR A 5 73.531 -6.494 13.475 1.00 0.13 C HETATM 2925 C THR A 5 74.478 -7.396 12.686 1.00 0.20 C HETATM 2926 O THR A 5 75.330 -6.935 11.954 1.00 -0.39 O HETATM 2927 N THR A 5 74.339 -8.682 12.842 1.00 -0.27 N HETATM 2928 CA THR A 5 75.231 -9.628 12.109 1.00 0.12 C HETATM 2929 C THR A 5 74.612 -11.028 12.133 1.00 0.06 C HETATM 2930 O THR A 5 74.167 -11.478 11.090 1.00 -0.57 O HETATM 2931 OXT THR A 5 74.595 -11.627 13.195 1.00 -0.57 O HETATM 2932 CB THR A 5 76.606 -9.671 12.783 1.00 0.08 C HETATM 2933 OG THR A 5 76.441 -9.898 14.176 1.00 -0.39 O HETATM 2934 H113 THR A 5 75.995 -10.726 14.310 1.00 0.21 H HETATM 2935 H111 THR A 5 77.122 -8.712 12.626 1.00 0.06 H HETATM 2936 H112 THR A 5 77.204 -10.485 12.347 1.00 0.06 H HETATM 2937 H110 THR A 5 75.344 -9.293 11.067 1.00 0.07 H HETATM 2938 H109 THR A 5 73.633 -9.036 13.455 1.00 0.19 H HETATM 2939 CB THR A 5 74.051 -6.366 14.907 1.00 -0.01 C HETATM 2940 CG THR A 5 73.212 -5.356 15.695 1.00 -0.04 C HETATM 2941 CD1 THR A 5 73.667 -5.372 17.157 1.00 -0.06 C HETATM 2942 H103 THR A 5 73.071 -4.650 17.734 1.00 0.02 H HETATM 2943 H104 THR A 5 74.731 -5.098 17.213 1.00 0.02 H HETATM 2944 H105 THR A 5 73.526 -6.380 17.574 1.00 0.02 H HETATM 2945 CD2 THR A 5 73.372 -3.942 15.106 1.00 -0.06 C HETATM 2946 H106 THR A 5 73.042 -3.942 14.056 1.00 0.02 H HETATM 2947 H107 THR A 5 74.428 -3.640 15.158 1.00 0.02 H HETATM 2948 H108 THR A 5 72.759 -3.233 15.682 1.00 0.02 H HETATM 2949 H102 THR A 5 72.152 -5.647 15.641 1.00 0.03 H HETATM 2950 H100 THR A 5 75.097 -6.027 14.883 1.00 0.03 H HETATM 2951 H101 THR A 5 73.995 -7.347 15.401 1.00 0.03 H HETATM 2952 H99 THR A 5 73.495 -5.499 13.008 1.00 0.08 H HETATM 2953 H98 THR A 5 71.720 -7.337 14.338 1.00 0.19 H HETATM 2954 CB THR A 5 69.128 -6.799 12.735 1.00 -0.00 C HETATM 2955 CG1 THR A 5 67.711 -7.369 12.662 1.00 -0.05 C HETATM 2956 CD1 THR A 5 66.720 -6.361 13.254 1.00 -0.06 C HETATM 2957 H95 THR A 5 65.702 -6.773 13.200 1.00 0.02 H HETATM 2958 H96 THR A 5 66.766 -5.422 12.682 1.00 0.02 H HETATM 2959 H97 THR A 5 66.981 -6.164 14.304 1.00 0.02 H HETATM 2960 H90 THR A 5 67.664 -8.307 13.234 1.00 0.03 H HETATM 2961 H91 THR A 5 67.449 -7.566 11.612 1.00 0.03 H HETATM 2962 CG2 THR A 5 69.266 -5.636 11.755 1.00 -0.06 C HETATM 2963 H92 THR A 5 70.286 -5.229 11.810 1.00 0.02 H HETATM 2964 H93 THR A 5 68.543 -4.849 12.015 1.00 0.02 H HETATM 2965 H94 THR A 5 69.069 -5.992 10.733 1.00 0.02 H HETATM 2966 H89 THR A 5 69.325 -6.440 13.756 1.00 0.03 H HETATM 2967 H88 THR A 5 69.890 -8.306 11.389 1.00 0.08 H HETATM 2968 H87 THR A 5 69.514 -8.833 14.233 1.00 0.19 H HETATM 2969 CB THR A 5 69.180 -11.894 14.131 1.00 -0.01 C HETATM 2970 CG THR A 5 69.190 -12.727 12.847 1.00 -0.04 C HETATM 2971 CD THR A 5 67.868 -13.489 12.735 1.00 -0.01 C HETATM 2972 CE THR A 5 67.875 -14.358 11.481 1.00 -0.04 C HETATM 2973 NZ THR A 5 66.547 -15.017 11.334 1.00 0.22 N HETATM 2974 H84 THR A 5 66.547 -15.592 10.506 1.00 0.20 H HETATM 2975 H85 THR A 5 65.830 -14.313 11.254 1.00 0.20 H HETATM 2976 H86 THR A 5 66.365 -15.591 12.142 1.00 0.20 H HETATM 2977 H82 THR A 5 68.659 -15.125 11.569 1.00 0.08 H HETATM 2978 H83 THR A 5 68.074 -13.730 10.600 1.00 0.08 H HETATM 2979 H80 THR A 5 67.037 -12.771 12.677 1.00 0.03 H HETATM 2980 H81 THR A 5 67.739 -14.128 13.621 1.00 0.03 H HETATM 2981 H78 THR A 5 70.026 -13.442 12.878 1.00 0.03 H HETATM 2982 H79 THR A 5 69.307 -12.063 11.978 1.00 0.03 H HETATM 2983 H76 THR A 5 68.369 -11.152 14.079 1.00 0.03 H HETATM 2984 H77 THR A 5 69.016 -12.556 14.994 1.00 0.03 H HETATM 2985 H75 THR A 5 71.338 -11.900 14.208 1.00 0.08 H HETATM 2986 H74 THR A 5 69.797 -10.575 16.252 1.00 0.19 H HETATM 2987 CB THR A 5 71.966 -10.217 18.401 1.00 0.08 C HETATM 2988 CG THR A 5 73.267 -10.936 18.049 1.00 0.18 C HETATM 2989 OD1 THR A 5 74.257 -10.807 18.743 1.00 -0.40 O HETATM 2990 ND2 THR A 5 73.301 -11.693 16.984 1.00 -0.30 N HETATM 2991 H72 THR A 5 74.144 -12.172 16.738 1.00 0.18 H HETATM 2992 H73 THR A 5 72.484 -11.793 16.416 1.00 0.18 H HETATM 2993 H70 THR A 5 71.143 -10.946 18.445 1.00 0.06 H HETATM 2994 H71 THR A 5 72.071 -9.723 19.378 1.00 0.06 H HETATM 2995 H69 THR A 5 72.453 -8.402 17.334 1.00 0.08 H HETATM 2996 H68 THR A 5 69.829 -8.816 18.429 1.00 0.19 H HETATM 2997 CB THR A 5 68.769 -5.919 18.371 1.00 0.00 C HETATM 2998 CG THR A 5 68.457 -4.501 17.954 1.00 -0.04 C HETATM 2999 CD1 THR A 5 67.761 -3.627 18.714 1.00 0.02 C HETATM 3000 NE1 THR A 5 67.673 -2.418 18.052 1.00 -0.29 N HETATM 3001 CE2 THR A 5 68.301 -2.460 16.828 1.00 0.06 C HETATM 3002 CD2 THR A 5 68.813 -3.773 16.734 1.00 -0.02 C HETATM 3003 CE3 THR A 5 69.516 -4.110 15.569 1.00 -0.07 C HETATM 3004 CZ3 THR A 5 69.697 -3.178 14.543 1.00 -0.08 C HETATM 3005 CH2 THR A 5 69.180 -1.894 14.664 1.00 -0.08 C HETATM 3006 CZ2 THR A 5 68.484 -1.531 15.805 1.00 -0.04 C HETATM 3007 H65 THR A 5 68.083 -0.528 15.902 1.00 0.05 H HETATM 3008 H67 THR A 5 69.322 -1.176 13.865 1.00 0.05 H HETATM 3009 H66 THR A 5 70.243 -3.458 13.649 1.00 0.05 H HETATM 3010 H64 THR A 5 69.925 -5.108 15.462 1.00 0.05 H HETATM 3011 H63 THR A 5 67.196 -1.587 18.428 1.00 0.22 H HETATM 3012 H62 THR A 5 67.337 -3.842 19.694 1.00 0.08 H HETATM 3013 H60 THR A 5 69.820 -5.968 18.692 1.00 0.04 H HETATM 3014 H61 THR A 5 68.115 -6.189 19.213 1.00 0.04 H HETATM 3015 H59 THR A 5 68.110 -6.445 16.351 1.00 0.08 H HETATM 3016 H58 THR A 5 67.355 -8.037 18.669 1.00 0.19 H HETATM 3017 CB THR A 5 67.030 -11.423 17.364 1.00 0.04 C HETATM 3018 CG THR A 5 68.309 -11.427 18.203 1.00 0.04 C HETATM 3019 OD1 THR A 5 68.722 -10.358 18.621 1.00 -0.57 O HETATM 3020 OD2 THR A 5 68.856 -12.498 18.411 1.00 -0.57 O HETATM 3021 H56 THR A 5 67.282 -11.601 16.308 1.00 0.05 H HETATM 3022 H57 THR A 5 66.355 -12.216 17.718 1.00 0.05 H HETATM 3023 H55 THR A 5 66.181 -9.849 18.569 1.00 0.08 H HETATM 3024 H54 THR A 5 64.958 -9.962 15.827 1.00 0.19 H HETATM 3025 CB THR A 5 62.744 -9.743 15.383 1.00 -0.00 C HETATM 3026 CG1 THR A 5 63.030 -8.221 15.558 1.00 -0.05 C HETATM 3027 CD1 THR A 5 64.281 -7.825 14.773 1.00 -0.06 C HETATM 3028 H51 THR A 5 64.472 -6.750 14.905 1.00 0.02 H HETATM 3029 H52 THR A 5 64.128 -8.042 13.706 1.00 0.02 H HETATM 3030 H53 THR A 5 65.143 -8.398 15.144 1.00 0.02 H HETATM 3031 H46 THR A 5 63.185 -8.001 16.624 1.00 0.03 H HETATM 3032 H47 THR A 5 62.170 -7.645 15.186 1.00 0.03 H HETATM 3033 CG2 THR A 5 61.456 -9.956 14.577 1.00 -0.06 C HETATM 3034 H48 THR A 5 61.269 -11.034 14.463 1.00 0.02 H HETATM 3035 H49 THR A 5 61.565 -9.495 13.584 1.00 0.02 H HETATM 3036 H50 THR A 5 60.611 -9.491 15.106 1.00 0.02 H HETATM 3037 H45 THR A 5 63.586 -10.212 14.854 1.00 0.03 H HETATM 3038 H44 THR A 5 62.241 -11.429 16.653 1.00 0.08 H HETATM 3039 H43 THR A 5 61.150 -8.800 17.136 1.00 0.19 H HETATM 3040 CB THR A 5 60.947 -8.149 20.459 1.00 -0.01 C HETATM 3041 CG THR A 5 61.889 -7.230 19.671 1.00 -0.04 C HETATM 3042 CD THR A 5 62.504 -6.170 20.612 1.00 -0.01 C HETATM 3043 CE THR A 5 61.584 -4.944 20.713 1.00 -0.04 C HETATM 3044 NZ THR A 5 61.881 -4.200 21.978 1.00 0.22 N HETATM 3045 H40 THR A 5 61.277 -3.396 22.044 1.00 0.20 H HETATM 3046 H41 THR A 5 62.843 -3.899 21.973 1.00 0.20 H HETATM 3047 H42 THR A 5 61.723 -4.805 22.769 1.00 0.20 H HETATM 3048 H38 THR A 5 60.534 -5.273 20.719 1.00 0.08 H HETATM 3049 H39 THR A 5 61.757 -4.284 19.850 1.00 0.08 H HETATM 3050 H36 THR A 5 63.482 -5.858 20.216 1.00 0.03 H HETATM 3051 H37 THR A 5 62.636 -6.607 21.613 1.00 0.03 H HETATM 3052 H34 THR A 5 61.323 -6.725 18.874 1.00 0.03 H HETATM 3053 H35 THR A 5 62.694 -7.831 19.224 1.00 0.03 H HETATM 3054 H32 THR A 5 61.530 -8.728 21.190 1.00 0.03 H HETATM 3055 H33 THR A 5 60.199 -7.539 20.987 1.00 0.03 H HETATM 3056 H31 THR A 5 59.643 -8.536 18.773 1.00 0.08 H HETATM 3057 H30 THR A 5 59.695 -10.519 21.065 1.00 0.19 H HETATM 3058 CB THR A 5 57.466 -12.497 20.449 1.00 0.09 C HETATM 3059 OG1 THR A 5 56.990 -12.690 19.128 1.00 -0.39 O HETATM 3060 H26 THR A 5 57.144 -13.590 18.866 1.00 0.21 H HETATM 3061 CG2 THR A 5 56.741 -13.443 21.406 1.00 -0.03 C HETATM 3062 H27 THR A 5 56.923 -14.484 21.101 1.00 0.03 H HETATM 3063 H28 THR A 5 55.661 -13.236 21.378 1.00 0.03 H HETATM 3064 H29 THR A 5 57.117 -13.289 22.428 1.00 0.03 H HETATM 3065 H25 THR A 5 58.545 -12.706 20.482 1.00 0.06 H HETATM 3066 H24 THR A 5 57.501 -10.916 21.922 1.00 0.08 H HETATM 3067 H23 THR A 5 55.416 -10.500 19.785 1.00 0.19 H HETATM 3068 CB THR A 5 53.180 -8.975 22.021 1.00 -0.01 C HETATM 3069 CG THR A 5 54.072 -7.905 21.363 1.00 -0.02 C HETATM 3070 CD THR A 5 53.796 -7.821 19.855 1.00 0.06 C HETATM 3071 NE THR A 5 54.184 -6.469 19.363 1.00 -0.27 N HETATM 3072 CZ THR A 5 54.351 -6.256 18.085 1.00 0.29 C HETATM 3073 NH1 THR A 5 54.212 -7.231 17.230 1.00 -0.28 N HETATM 3074 H19 THR A 5 54.345 -7.056 16.224 1.00 0.26 H HETATM 3075 H20 THR A 5 53.969 -8.176 17.561 1.00 0.26 H HETATM 3076 NH2 THR A 5 54.666 -5.062 17.665 1.00 -0.28 N HETATM 3077 H21 THR A 5 54.776 -4.291 18.339 1.00 0.26 H HETATM 3078 H22 THR A 5 54.805 -4.890 16.659 1.00 0.26 H HETATM 3079 H18 THR A 5 54.321 -5.699 20.033 1.00 0.26 H HETATM 3080 H16 THR A 5 52.725 -7.988 19.667 1.00 0.07 H HETATM 3081 H17 THR A 5 54.385 -8.587 19.329 1.00 0.07 H HETATM 3082 H14 THR A 5 55.128 -8.167 21.523 1.00 0.03 H HETATM 3083 H15 THR A 5 53.863 -6.928 21.823 1.00 0.03 H HETATM 3084 H12 THR A 5 53.363 -8.982 23.106 1.00 0.03 H HETATM 3085 H13 THR A 5 52.124 -8.734 21.829 1.00 0.03 H HETATM 3086 H11 THR A 5 53.312 -10.360 20.362 1.00 0.08 H HETATM 3087 H10 THR A 5 52.832 -11.711 23.023 1.00 0.19 H HETATM 3088 CB THR A 5 49.897 -13.700 21.168 1.00 0.11 C HETATM 3089 OG1 THR A 5 48.958 -14.530 21.839 1.00 -0.38 O HETATM 3090 H6 THR A 5 48.441 -15.003 21.198 1.00 0.21 H HETATM 3091 CG2 THR A 5 50.816 -14.563 20.301 1.00 -0.03 C HETATM 3092 H7 THR A 5 50.214 -15.111 19.561 1.00 0.03 H HETATM 3093 H8 THR A 5 51.355 -15.279 20.938 1.00 0.03 H HETATM 3094 H9 THR A 5 51.540 -13.919 19.780 1.00 0.03 H HETATM 3095 H5 THR A 5 49.360 -12.983 20.529 1.00 0.07 H HETATM 3096 H4 THR A 5 51.398 -13.636 22.725 1.00 0.11 H HETATM 3097 H1 THR A 5 50.376 -11.775 23.861 1.00 0.20 H HETATM 3098 H2 THR A 5 49.273 -12.979 23.652 1.00 0.20 H HETATM 3099 H3 THR A 5 49.216 -11.636 22.702 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 281 280 2879 CONECT 345 344 2879 CONECT 395 394 2879 CONECT 495 494 2879 CONECT 1058 1057 2880 CONECT 1440 1441 1450 1451 1452 CONECT 1450 1440 CONECT 1451 1440 CONECT 1452 1440 CONECT 1720 1719 2881 CONECT 1784 1783 2881 CONECT 1834 1833 2881 CONECT 2879 281 345 395 495 CONECT 2880 1058 CONECT 2881 1720 1784 1834 CONECT 2883 2884 3097 3098 3099 CONECT 2884 2883 2885 3088 3096 CONECT 2885 2884 2886 2887 CONECT 2886 2885 CONECT 2887 2885 2888 3087 CONECT 2888 2887 2889 3068 3086 CONECT 2889 2888 2890 2891 CONECT 2890 2889 CONECT 2891 2889 2892 3067 CONECT 2892 2891 2893 3058 3066 CONECT 2893 2892 2894 2895 CONECT 2894 2893 CONECT 2895 2893 2896 3057 CONECT 2896 2895 2897 3040 3056 CONECT 2897 2896 2898 2899 CONECT 2898 2897 CONECT 2899 2897 2900 3039 CONECT 2900 2899 2901 3025 3038 CONECT 2901 2900 2902 2903 CONECT 2902 2901 CONECT 2903 2901 2904 3024 CONECT 2904 2903 2905 3017 3023 CONECT 2905 2904 2906 2907 CONECT 2906 2905 CONECT 2907 2905 2908 3016 CONECT 2908 2907 2909 2997 3015 CONECT 2909 2908 2910 2911 CONECT 2910 2909 CONECT 2911 2909 2912 2996 CONECT 2912 2911 2913 2987 2995 CONECT 2913 2912 2914 2915 CONECT 2914 2913 CONECT 2915 2913 2916 2986 CONECT 2916 2915 2917 2969 2985 CONECT 2917 2916 2918 2919 CONECT 2918 2917 CONECT 2919 2917 2920 2968 CONECT 2920 2919 2921 2954 2967 CONECT 2921 2920 2922 2923 CONECT 2922 2921 CONECT 2923 2921 2924 2953 CONECT 2924 2923 2925 2939 2952 CONECT 2925 2924 2926 2927 CONECT 2926 2925 CONECT 2927 2925 2928 2938 CONECT 2928 2927 2929 2932 2937 CONECT 2929 2928 2930 2931 CONECT 2930 2929 CONECT 2931 2929 CONECT 2932 2928 2933 2935 2936 CONECT 2933 2932 2934 CONECT 2934 2933 CONECT 2935 2932 CONECT 2936 2932 CONECT 2937 2928 CONECT 2938 2927 CONECT 2939 2924 2940 2950 2951 CONECT 2940 2939 2941 2945 2949 CONECT 2941 2940 2942 2943 2944 CONECT 2942 2941 CONECT 2943 2941 CONECT 2944 2941 CONECT 2945 2940 2946 2947 2948 CONECT 2946 2945 CONECT 2947 2945 CONECT 2948 2945 CONECT 2949 2940 CONECT 2950 2939 CONECT 2951 2939 CONECT 2952 2924 CONECT 2953 2923 CONECT 2954 2920 2955 2962 2966 CONECT 2955 2954 2956 2960 2961 CONECT 2956 2955 2957 2958 2959 CONECT 2957 2956 CONECT 2958 2956 CONECT 2959 2956 CONECT 2960 2955 CONECT 2961 2955 CONECT 2962 2954 2963 2964 2965 CONECT 2963 2962 CONECT 2964 2962 CONECT 2965 2962 CONECT 2966 2954 CONECT 2967 2920 CONECT 2968 2919 CONECT 2969 2916 2970 2983 2984 CONECT 2970 2969 2971 2981 2982 CONECT 2971 2970 2972 2979 2980 CONECT 2972 2971 2973 2977 2978 CONECT 2973 2972 2974 2975 2976 CONECT 2974 2973 CONECT 2975 2973 CONECT 2976 2973 CONECT 2977 2972 CONECT 2978 2972 CONECT 2979 2971 CONECT 2980 2971 CONECT 2981 2970 CONECT 2982 2970 CONECT 2983 2969 CONECT 2984 2969 CONECT 2985 2916 CONECT 2986 2915 CONECT 2987 2912 2988 2993 2994 CONECT 2988 2987 2989 2990 CONECT 2989 2988 CONECT 2990 2988 2991 2992 CONECT 2991 2990 CONECT 2992 2990 CONECT 2993 2987 CONECT 2994 2987 CONECT 2995 2912 CONECT 2996 2911 CONECT 2997 2908 2998 3013 3014 CONECT 2998 2997 2999 3002 CONECT 2999 2998 3000 3012 CONECT 3000 2999 3001 3011 CONECT 3001 3000 3002 3006 CONECT 3002 2998 3001 3003 CONECT 3003 3002 3004 3010 CONECT 3004 3003 3005 3009 CONECT 3005 3004 3006 3008 CONECT 3006 3001 3005 3007 CONECT 3007 3006 CONECT 3008 3005 CONECT 3009 3004 CONECT 3010 3003 CONECT 3011 3000 CONECT 3012 2999 CONECT 3013 2997 CONECT 3014 2997 CONECT 3015 2908 CONECT 3016 2907 CONECT 3017 2904 3018 3021 3022 CONECT 3018 3017 3019 3020 CONECT 3019 3018 CONECT 3020 3018 CONECT 3021 3017 CONECT 3022 3017 CONECT 3023 2904 CONECT 3024 2903 CONECT 3025 2900 3026 3033 3037 CONECT 3026 3025 3027 3031 3032 CONECT 3027 3026 3028 3029 3030 CONECT 3028 3027 CONECT 3029 3027 CONECT 3030 3027 CONECT 3031 3026 CONECT 3032 3026 CONECT 3033 3025 3034 3035 3036 CONECT 3034 3033 CONECT 3035 3033 CONECT 3036 3033 CONECT 3037 3025 CONECT 3038 2900 CONECT 3039 2899 CONECT 3040 2896 3041 3054 3055 CONECT 3041 3040 3042 3052 3053 CONECT 3042 3041 3043 3050 3051 CONECT 3043 3042 3044 3048 3049 CONECT 3044 3043 3045 3046 3047 CONECT 3045 3044 CONECT 3046 3044 CONECT 3047 3044 CONECT 3048 3043 CONECT 3049 3043 CONECT 3050 3042 CONECT 3051 3042 CONECT 3052 3041 CONECT 3053 3041 CONECT 3054 3040 CONECT 3055 3040 CONECT 3056 2896 CONECT 3057 2895 CONECT 3058 2892 3059 3061 3065 CONECT 3059 3058 3060 CONECT 3060 3059 CONECT 3061 3058 3062 3063 3064 CONECT 3062 3061 CONECT 3063 3061 CONECT 3064 3061 CONECT 3065 3058 CONECT 3066 2892 CONECT 3067 2891 CONECT 3068 2888 3069 3084 3085 CONECT 3069 3068 3070 3082 3083 CONECT 3070 3069 3071 3080 3081 CONECT 3071 3070 3072 3079 CONECT 3072 3071 3073 3076 CONECT 3073 3072 3074 3075 CONECT 3074 3073 CONECT 3075 3073 CONECT 3076 3072 3077 3078 CONECT 3077 3076 CONECT 3078 3076 CONECT 3079 3071 CONECT 3080 3070 CONECT 3081 3070 CONECT 3082 3069 CONECT 3083 3069 CONECT 3084 3068 CONECT 3085 3068 CONECT 3086 2888 CONECT 3087 2887 CONECT 3088 2884 3089 3091 3095 CONECT 3089 3088 3090 CONECT 3090 3089 CONECT 3091 3088 3092 3093 3094 CONECT 3092 3091 CONECT 3093 3091 CONECT 3094 3091 CONECT 3095 3088 CONECT 3096 2884 CONECT 3097 2883 CONECT 3098 2883 CONECT 3099 2883 MASTER 0 0 0 0 0 0 0 0 3097 2 236 14 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 1mwn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
91aa, >1MQ1_1|Chains... at 97%
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%
3lk0
RCSB PDB
PDBbind
90aa, >3LK0_1|Chains... 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%
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RCSB PDB
PDBbind
92aa, >5ER4_1|Chain... at 95%
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RCSB PDB
PDBbind
92aa, >5ER5_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
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12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
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12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
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12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
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12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
1mwn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
s-100 protein, beta chain
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=200nM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v324 pp. 1003-14, 2002
Ligand Properties
Formula
C
6
6
H
1
1
5
N
1
9
O
1
9
Molecular Weight
1478.740
Exact Mass
1477.860
No. of atoms
219
No. of bonds
220
Polar Surface Area
663.2
LOGP Value
-4.30 (
Computed with XLOGP3
)
-3.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 62
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C)[C@H](CC)C)CCCC[NH3+])CC(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)O)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C66H111N19O19/c1-9-33(5)51(62(100)80-43(26-32(3)4)57(95)82-47(31-86)65(103)104)83-54(92)40(20-13-15-23-67)75-59(97)45(28-48(69)89)79-58(96)44(27-37-30-74-39-19-12-11-18-38(37)39)78-60(98)46(29-49(90)91)81-63(101)52(34(6)10-2)84-55(93)41(21-14-16-24-68)77-64(102)53(36(8)88)85-56(94)42(22-17-25-73-66(71)72)76-61(99)50(70)35(7)87/h11-12,18-19,30,32-36,40-47,50-53,74,86-88H,9-10,13-17,20-29,31,67-68,70H2,1-8H3,(H2,69,89)(H,75,97)(H,76,99)(H,77,102)(H,78,98)(H,79,96)(H,80,100)(H,81,101)(H,82,95)(H,83,92)(H,84,93)(H,85,94)(H,90,91)(H,103,104)(H4,71,72,73)/p+4/t33-,34-,35+,36+,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-,53-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P04631
P52907
Entrez Gene ID
NCBI Entrez Gene ID:
25742
829
ASD
Information of known allosteric effects of PDB entries
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