Browse entries in the PDBbind-CN Database
HEADER 6O0O_COMPLEX COMPND 6O0O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 24 TYR ASP ASN ARG GLU ILE VAL MET LYS TYR ILE HIS TYR SEQRES 2 A 24 LYS LEU SER GLN ARG GLY TYR GLU TRP ASP ALA SEQRES 1 A 113 GLU VAL VAL HIS LEU THR LEU ARG GLN ALA VAL ASP ASP SEQRES 2 A 113 PHE SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SER SEQRES 3 A 113 SER GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY ARG SEQRES 4 A 113 PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY VAL SEQRES 5 A 113 ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY GLY SEQRES 6 A 113 VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SER PRO SEQRES 7 A 113 LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR LEU SEQRES 8 A 113 ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY GLY SEQRES 9 A 113 TRP ASP ALA PHE VAL GLU LEU TYR GLY HET F A 3Q 96 ATOM 1 N TYR A 9 25.065 12.397 -2.120 1.00 56.31 N ATOM 2 CA TYR A 9 26.352 12.007 -2.690 1.00 71.98 C ATOM 3 C TYR A 9 26.776 10.605 -2.258 1.00 73.13 C ATOM 4 O TYR A 9 26.474 9.624 -2.937 1.00 73.23 O ATOM 5 CB TYR A 9 27.435 13.013 -2.297 1.00 88.83 C ATOM 6 CG TYR A 9 27.417 14.284 -3.109 1.00 97.51 C ATOM 7 CD1 TYR A 9 27.772 15.498 -2.539 1.00 99.63 C ATOM 8 CD2 TYR A 9 27.057 14.268 -4.451 1.00104.57 C ATOM 9 CE1 TYR A 9 27.761 16.664 -3.278 1.00104.54 C ATOM 10 CE2 TYR A 9 27.043 15.429 -5.201 1.00106.03 C ATOM 11 CZ TYR A 9 27.395 16.624 -4.610 1.00107.97 C ATOM 12 OH TYR A 9 27.382 17.781 -5.354 1.00107.28 O ATOM 13 HH TYR A 9 27.658 18.542 -4.784 1.00 0.00 H ATOM 14 HN3 TYR A 9 25.129 12.385 -1.082 1.00 0.00 H ATOM 15 HN2 TYR A 9 24.332 11.728 -2.431 1.00 0.00 H ATOM 16 HN1 TYR A 9 24.821 13.355 -2.442 1.00 0.00 H ATOM 17 N ASP A 10 27.478 10.515 -1.128 1.00 72.85 N ATOM 18 CA ASP A 10 28.062 9.250 -0.693 1.00 58.93 C ATOM 19 C ASP A 10 26.984 8.322 -0.137 1.00 50.64 C ATOM 20 O ASP A 10 26.274 8.677 0.810 1.00 44.19 O ATOM 21 CB ASP A 10 29.145 9.508 0.353 1.00 66.72 C ATOM 22 CG ASP A 10 29.880 8.236 0.767 1.00 74.34 C ATOM 23 OD1 ASP A 10 29.705 7.181 0.116 1.00 77.13 O ATOM 24 OD2 ASP A 10 30.640 8.295 1.755 1.00 82.74 O ATOM 25 H ASP A 10 27.612 11.365 -0.544 1.00 0.00 H ATOM 26 N ASN A 11 26.872 7.123 -0.721 1.00 50.14 N ATOM 27 CA ASN A 11 25.912 6.143 -0.225 1.00 35.24 C ATOM 28 C ASN A 11 26.307 5.614 1.145 1.00 38.63 C ATOM 29 O ASN A 11 25.434 5.329 1.975 1.00 35.83 O ATOM 30 CB ASN A 11 25.772 4.985 -1.217 1.00 35.44 C ATOM 31 CG ASN A 11 25.119 5.409 -2.525 1.00 47.97 C ATOM 32 OD1 ASN A 11 24.218 6.250 -2.540 1.00 44.72 O ATOM 33 ND2 ASN A 11 25.573 4.827 -3.631 1.00 59.45 N ATOM 34 HD22 ASN A 11 26.335 4.122 -3.572 1.00 0.00 H ATOM 35 HD21 ASN A 11 25.166 5.077 -4.555 1.00 0.00 H ATOM 36 H ASN A 11 27.475 6.888 -1.535 1.00 0.00 H ATOM 37 N ARG A 12 27.606 5.473 1.409 1.00 39.80 N ATOM 38 CA ARG A 12 28.022 4.981 2.719 1.00 37.33 C ATOM 39 C ARG A 12 27.622 5.953 3.827 1.00 48.57 C ATOM 40 O ARG A 12 27.190 5.529 4.902 1.00 46.06 O ATOM 41 CB ARG A 12 29.528 4.727 2.732 1.00 37.49 C ATOM 42 CG ARG A 12 30.035 4.124 4.022 1.00 39.92 C ATOM 43 CD ARG A 12 31.528 3.872 3.945 1.00 63.68 C ATOM 44 NE ARG A 12 32.195 4.138 5.216 1.00 76.19 N ATOM 45 CZ ARG A 12 32.301 3.257 6.205 1.00 77.50 C ATOM 46 NH1 ARG A 12 31.779 2.043 6.078 1.00 77.11 N ATOM 47 NH2 ARG A 12 32.929 3.591 7.324 1.00 85.95 N ATOM 48 HE ARG A 12 32.615 5.079 5.357 1.00 0.00 H ATOM 49 HH12 ARG A 12 31.864 1.356 6.855 1.00 0.00 H ATOM 50 HH11 ARG A 12 31.285 1.778 5.202 1.00 0.00 H ATOM 51 HH22 ARG A 12 33.013 2.902 8.099 1.00 0.00 H ATOM 52 HH21 ARG A 12 33.338 4.542 7.427 1.00 0.00 H ATOM 53 H ARG A 12 28.317 5.711 0.688 1.00 0.00 H ATOM 54 N GLU A 13 27.733 7.264 3.576 1.00 48.47 N ATOM 55 CA GLU A 13 27.342 8.248 4.586 1.00 40.26 C ATOM 56 C GLU A 13 25.839 8.207 4.856 1.00 38.90 C ATOM 57 O GLU A 13 25.407 8.331 6.006 1.00 38.86 O ATOM 58 CB GLU A 13 27.767 9.654 4.143 1.00 44.12 C ATOM 59 CG GLU A 13 28.178 10.574 5.280 1.00 70.27 C ATOM 60 CD GLU A 13 29.446 10.109 5.972 1.00 95.11 C ATOM 61 OE1 GLU A 13 30.235 9.379 5.334 1.00103.17 O ATOM 62 OE2 GLU A 13 29.654 10.468 7.152 1.00104.19 O ATOM 63 H GLU A 13 28.100 7.585 2.657 1.00 0.00 H ATOM 64 N ILE A 14 25.029 8.028 3.809 1.00 39.01 N ATOM 65 CA ILE A 14 23.575 8.012 3.965 1.00 35.53 C ATOM 66 C ILE A 14 23.118 6.833 4.828 1.00 43.00 C ATOM 67 O ILE A 14 22.171 6.956 5.614 1.00 48.23 O ATOM 68 CB ILE A 14 22.904 7.995 2.579 1.00 34.96 C ATOM 69 CG1 ILE A 14 23.165 9.312 1.850 1.00 35.86 C ATOM 70 CG2 ILE A 14 21.406 7.712 2.692 1.00 35.01 C ATOM 71 CD1 ILE A 14 22.499 9.398 0.494 1.00 37.28 C ATOM 72 H ILE A 14 25.441 7.897 2.863 1.00 0.00 H ATOM 73 N VAL A 15 23.758 5.669 4.688 1.00 33.86 N ATOM 74 CA VAL A 15 23.338 4.529 5.502 1.00 33.42 C ATOM 75 C VAL A 15 23.819 4.689 6.941 1.00 34.20 C ATOM 76 O VAL A 15 23.062 4.429 7.883 1.00 37.83 O ATOM 77 CB VAL A 15 23.796 3.194 4.873 1.00 49.53 C ATOM 78 CG1 VAL A 15 25.211 3.288 4.397 1.00 61.20 C ATOM 79 CG2 VAL A 15 23.654 2.033 5.861 1.00 32.02 C ATOM 80 H VAL A 15 24.542 5.575 4.011 1.00 0.00 H ATOM 81 N MET A 16 25.063 5.145 7.140 1.00 39.56 N ATOM 82 CA MET A 16 25.562 5.372 8.496 1.00 44.54 C ATOM 83 C MET A 16 24.630 6.295 9.271 1.00 45.04 C ATOM 84 O MET A 16 24.265 6.010 10.418 1.00 40.51 O ATOM 85 CB MET A 16 26.977 5.963 8.466 1.00 54.12 C ATOM 86 CG MET A 16 28.034 5.121 7.759 1.00 64.29 C ATOM 87 SD MET A 16 28.308 3.486 8.462 1.00 91.21 S ATOM 88 CE MET A 16 28.077 2.433 7.027 1.00 75.69 C ATOM 89 H MET A 16 25.678 5.339 6.324 1.00 0.00 H ATOM 90 N LYS A 17 24.213 7.400 8.644 1.00 37.66 N ATOM 91 CA LYS A 17 23.415 8.395 9.355 1.00 41.13 C ATOM 92 C LYS A 17 22.004 7.892 9.632 1.00 45.67 C ATOM 93 O LYS A 17 21.420 8.209 10.676 1.00 46.40 O ATOM 94 CB LYS A 17 23.371 9.697 8.560 1.00 40.22 C ATOM 95 CG LYS A 17 24.726 10.367 8.393 1.00 53.71 C ATOM 96 CD LYS A 17 25.163 11.063 9.675 1.00 58.38 C ATOM 97 CE LYS A 17 26.199 12.152 9.398 1.00 63.48 C ATOM 98 NZ LYS A 17 27.447 11.627 8.770 1.00 64.42 N ATOM 99 HZ1 LYS A 17 27.885 10.928 9.404 1.00 0.00 H ATOM 100 HZ2 LYS A 17 27.214 11.175 7.863 1.00 0.00 H ATOM 101 HZ3 LYS A 17 28.109 12.413 8.607 1.00 0.00 H ATOM 102 H LYS A 17 24.458 7.552 7.645 1.00 0.00 H ATOM 103 N TYR A 18 21.433 7.119 8.710 1.00 37.86 N ATOM 104 CA TYR A 18 20.105 6.568 8.953 1.00 37.93 C ATOM 105 C TYR A 18 20.126 5.545 10.085 1.00 45.94 C ATOM 106 O TYR A 18 19.227 5.531 10.935 1.00 44.66 O ATOM 107 CB TYR A 18 19.551 5.940 7.674 1.00 36.70 C ATOM 108 CG TYR A 18 18.364 5.059 7.949 1.00 36.69 C ATOM 109 CD1 TYR A 18 17.117 5.612 8.219 1.00 40.73 C ATOM 110 CD2 TYR A 18 18.492 3.671 7.972 1.00 35.60 C ATOM 111 CE1 TYR A 18 16.028 4.805 8.493 1.00 45.77 C ATOM 112 CE2 TYR A 18 17.415 2.864 8.238 1.00 35.82 C ATOM 113 CZ TYR A 18 16.184 3.432 8.497 1.00 43.41 C ATOM 114 OH TYR A 18 15.104 2.622 8.761 1.00 51.13 O ATOM 115 HH TYR A 18 14.940 2.029 7.985 1.00 0.00 H ATOM 116 H TYR A 18 21.932 6.910 7.822 1.00 0.00 H ATOM 117 N ILE A 19 21.135 4.671 10.107 1.00 40.50 N ATOM 118 CA ILE A 19 21.199 3.641 11.140 1.00 36.60 C ATOM 119 C ILE A 19 21.503 4.267 12.498 1.00 38.13 C ATOM 120 O ILE A 19 20.875 3.928 13.507 1.00 38.93 O ATOM 121 CB ILE A 19 22.226 2.563 10.741 1.00 35.21 C ATOM 122 CG1 ILE A 19 21.735 1.830 9.482 1.00 34.03 C ATOM 123 CG2 ILE A 19 22.455 1.576 11.875 1.00 35.28 C ATOM 124 CD1 ILE A 19 22.606 0.673 9.024 1.00 33.31 C ATOM 125 H ILE A 19 21.880 4.724 9.384 1.00 0.00 H ATOM 126 N HIS A 20 22.429 5.227 12.533 1.00 49.76 N ATOM 127 CA HIS A 20 22.753 5.912 13.781 1.00 59.00 C ATOM 128 C HIS A 20 21.521 6.555 14.411 1.00 50.09 C ATOM 129 O HIS A 20 21.380 6.568 15.638 1.00 43.64 O ATOM 130 CB HIS A 20 23.831 6.963 13.532 1.00 41.35 C ATOM 131 CG HIS A 20 24.639 7.289 14.745 1.00 55.28 C ATOM 132 ND1 HIS A 20 24.317 8.322 15.600 1.00 65.34 N ATOM 133 CD2 HIS A 20 25.755 6.715 15.251 1.00 52.19 C ATOM 134 CE1 HIS A 20 25.203 8.372 16.578 1.00 62.61 C ATOM 135 NE2 HIS A 20 26.085 7.407 16.391 1.00 61.28 N ATOM 136 H HIS A 20 22.927 5.491 11.659 1.00 0.00 H ATOM 137 N TYR A 21 20.614 7.090 13.591 1.00 60.61 N ATOM 138 CA TYR A 21 19.417 7.728 14.133 1.00 62.62 C ATOM 139 C TYR A 21 18.466 6.701 14.739 1.00 57.78 C ATOM 140 O TYR A 21 17.944 6.900 15.843 1.00 54.04 O ATOM 141 CB TYR A 21 18.715 8.540 13.043 1.00 69.16 C ATOM 142 CG TYR A 21 17.448 9.230 13.505 1.00 74.10 C ATOM 143 CD1 TYR A 21 17.498 10.459 14.151 1.00 78.07 C ATOM 144 CD2 TYR A 21 16.201 8.656 13.284 1.00 80.47 C ATOM 145 CE1 TYR A 21 16.341 11.094 14.570 1.00 87.38 C ATOM 146 CE2 TYR A 21 15.041 9.281 13.701 1.00 85.06 C ATOM 147 CZ TYR A 21 15.116 10.500 14.342 1.00 89.36 C ATOM 148 OH TYR A 21 13.960 11.126 14.753 1.00 92.48 O ATOM 149 HH TYR A 21 14.189 11.983 15.192 1.00 0.00 H ATOM 150 H TYR A 21 20.760 7.052 12.562 1.00 0.00 H ATOM 151 N LYS A 22 18.224 5.593 14.030 1.00 48.35 N ATOM 152 CA LYS A 22 17.288 4.588 14.532 1.00 45.87 C ATOM 153 C LYS A 22 17.809 3.928 15.802 1.00 46.31 C ATOM 154 O LYS A 22 17.032 3.650 16.724 1.00 43.96 O ATOM 155 CB LYS A 22 17.007 3.543 13.454 1.00 57.06 C ATOM 156 CG LYS A 22 16.123 4.051 12.317 1.00 70.46 C ATOM 157 CD LYS A 22 14.694 4.294 12.790 1.00 77.14 C ATOM 158 CE LYS A 22 13.844 4.952 11.708 1.00 71.35 C ATOM 159 NZ LYS A 22 14.258 6.359 11.426 1.00 64.18 N ATOM 160 HZ1 LYS A 22 14.167 6.926 12.293 1.00 0.00 H ATOM 161 HZ2 LYS A 22 15.247 6.370 11.106 1.00 0.00 H ATOM 162 HZ3 LYS A 22 13.647 6.757 10.684 1.00 0.00 H ATOM 163 H LYS A 22 18.703 5.446 13.119 1.00 0.00 H ATOM 164 N LEU A 23 19.121 3.684 15.876 1.00 48.23 N ATOM 165 CA LEU A 23 19.697 3.055 17.059 1.00 48.82 C ATOM 166 C LEU A 23 19.750 4.016 18.244 1.00 48.00 C ATOM 167 O LEU A 23 19.583 3.590 19.394 1.00 46.94 O ATOM 168 CB LEU A 23 21.096 2.525 16.739 1.00 41.80 C ATOM 169 CG LEU A 23 21.224 1.441 15.666 1.00 38.71 C ATOM 170 CD1 LEU A 23 22.681 1.158 15.379 1.00 37.80 C ATOM 171 CD2 LEU A 23 20.520 0.180 16.093 1.00 38.47 C ATOM 172 H LEU A 23 19.738 3.946 15.081 1.00 0.00 H ATOM 173 N SER A 24 19.982 5.308 17.991 1.00 51.73 N ATOM 174 CA SER A 24 20.074 6.263 19.092 1.00 47.95 C ATOM 175 C SER A 24 18.760 6.375 19.850 1.00 53.47 C ATOM 176 O SER A 24 18.764 6.587 21.068 1.00 62.09 O ATOM 177 CB SER A 24 20.508 7.630 18.569 1.00 64.64 C ATOM 178 OG SER A 24 21.810 7.560 18.016 1.00 68.40 O ATOM 179 HG SER A 24 21.815 6.913 17.267 1.00 0.00 H ATOM 180 H SER A 24 20.097 5.633 17.010 1.00 0.00 H ATOM 181 N GLN A 25 17.629 6.232 19.154 1.00 49.59 N ATOM 182 CA GLN A 25 16.341 6.203 19.840 1.00 60.07 C ATOM 183 C GLN A 25 16.246 5.033 20.813 1.00 70.08 C ATOM 184 O GLN A 25 15.601 5.151 21.864 1.00 58.68 O ATOM 185 CB GLN A 25 15.211 6.149 18.816 1.00 52.52 C ATOM 186 CG GLN A 25 15.196 7.358 17.906 1.00 69.71 C ATOM 187 CD GLN A 25 14.105 7.295 16.860 1.00 85.71 C ATOM 188 OE1 GLN A 25 13.728 6.216 16.402 1.00 89.95 O ATOM 189 NE2 GLN A 25 13.588 8.457 16.476 1.00 89.75 N ATOM 190 HE22 GLN A 25 13.938 9.344 16.891 1.00 0.00 H ATOM 191 HE21 GLN A 25 12.833 8.479 15.761 1.00 0.00 H ATOM 192 H GLN A 25 17.666 6.141 18.119 1.00 0.00 H ATOM 193 N ARG A 26 16.889 3.908 20.495 1.00 59.78 N ATOM 194 CA ARG A 26 16.919 2.746 21.375 1.00 48.85 C ATOM 195 C ARG A 26 17.932 2.879 22.505 1.00 68.31 C ATOM 196 O ARG A 26 18.120 1.921 23.262 1.00 59.98 O ATOM 197 CB ARG A 26 17.220 1.477 20.567 1.00 70.85 C ATOM 198 CG ARG A 26 15.987 0.730 20.073 1.00 60.52 C ATOM 199 CD ARG A 26 15.180 1.562 19.091 1.00 64.54 C ATOM 200 NE ARG A 26 13.937 0.899 18.701 1.00 73.25 N ATOM 201 CZ ARG A 26 13.058 1.407 17.843 1.00 73.23 C ATOM 202 NH1 ARG A 26 11.952 0.736 17.547 1.00 64.00 N ATOM 203 NH2 ARG A 26 13.285 2.589 17.282 1.00 73.81 N ATOM 204 HE ARG A 26 13.727 -0.029 19.121 1.00 0.00 H ATOM 205 HH12 ARG A 26 11.266 1.135 16.875 1.00 0.00 H ATOM 206 HH11 ARG A 26 11.772 -0.189 17.987 1.00 0.00 H ATOM 207 HH22 ARG A 26 12.597 2.987 16.611 1.00 0.00 H ATOM 208 HH21 ARG A 26 14.150 3.117 17.514 1.00 0.00 H ATOM 209 H ARG A 26 17.388 3.858 19.584 1.00 0.00 H ATOM 210 N GLY A 27 18.580 4.034 22.642 1.00 64.96 N ATOM 211 CA GLY A 27 19.609 4.205 23.644 1.00 65.23 C ATOM 212 C GLY A 27 20.924 3.536 23.323 1.00 50.07 C ATOM 213 O GLY A 27 21.778 3.417 24.211 1.00 50.88 O ATOM 214 H GLY A 27 18.341 4.829 22.016 1.00 0.00 H ATOM 215 N TYR A 28 21.117 3.102 22.086 1.00 47.75 N ATOM 216 CA TYR A 28 22.326 2.404 21.676 1.00 46.00 C ATOM 217 C TYR A 28 23.164 3.361 20.844 1.00 54.06 C ATOM 218 O TYR A 28 22.811 3.675 19.701 1.00 44.70 O ATOM 219 CB TYR A 28 21.981 1.148 20.883 1.00 49.90 C ATOM 220 CG TYR A 28 23.178 0.316 20.489 1.00 46.25 C ATOM 221 CD1 TYR A 28 23.569 -0.771 21.258 1.00 49.65 C ATOM 222 CD2 TYR A 28 23.912 0.608 19.344 1.00 47.15 C ATOM 223 CE1 TYR A 28 24.656 -1.544 20.901 1.00 41.76 C ATOM 224 CE2 TYR A 28 25.005 -0.157 18.980 1.00 51.46 C ATOM 225 CZ TYR A 28 25.372 -1.233 19.765 1.00 53.09 C ATOM 226 OH TYR A 28 26.455 -2.008 19.422 1.00 51.38 O ATOM 227 HH TYR A 28 26.570 -2.728 20.092 1.00 0.00 H ATOM 228 H TYR A 28 20.373 3.267 21.378 1.00 0.00 H ATOM 229 N GLU A 29 24.276 3.816 21.410 1.00 46.75 N ATOM 230 CA GLU A 29 25.153 4.755 20.716 1.00 48.85 C ATOM 231 C GLU A 29 26.139 3.945 19.889 1.00 48.52 C ATOM 232 O GLU A 29 27.214 3.563 20.350 1.00 50.92 O ATOM 233 CB GLU A 29 25.844 5.685 21.705 1.00 55.27 C ATOM 234 CG GLU A 29 24.873 6.606 22.421 1.00 74.45 C ATOM 235 CD GLU A 29 23.930 7.318 21.459 1.00 87.17 C ATOM 236 OE1 GLU A 29 24.402 7.825 20.416 1.00 89.91 O ATOM 237 OE2 GLU A 29 22.713 7.362 21.741 1.00 90.24 O ATOM 238 H GLU A 29 24.527 3.497 22.367 1.00 0.00 H ATOM 239 N TRP A 30 25.750 3.667 18.652 1.00 44.43 N ATOM 240 CA TRP A 30 26.608 2.949 17.723 1.00 50.30 C ATOM 241 C TRP A 30 27.755 3.847 17.279 1.00 55.44 C ATOM 242 O TRP A 30 27.579 5.054 17.102 1.00 61.23 O ATOM 243 CB TRP A 30 25.772 2.478 16.530 1.00 47.07 C ATOM 244 CG TRP A 30 26.510 1.795 15.425 1.00 49.11 C ATOM 245 CD1 TRP A 30 27.397 0.762 15.534 1.00 52.18 C ATOM 246 CD2 TRP A 30 26.378 2.067 14.026 1.00 40.16 C ATOM 247 NE1 TRP A 30 27.844 0.393 14.285 1.00 50.42 N ATOM 248 CE2 TRP A 30 27.240 1.187 13.346 1.00 35.92 C ATOM 249 CE3 TRP A 30 25.635 2.993 13.284 1.00 54.86 C ATOM 250 CZ2 TRP A 30 27.363 1.192 11.958 1.00 48.99 C ATOM 251 CZ3 TRP A 30 25.761 2.997 11.911 1.00 49.23 C ATOM 252 CH2 TRP A 30 26.619 2.104 11.261 1.00 42.95 C ATOM 253 HE1 TRP A 30 28.528 -0.365 14.087 1.00 0.00 H ATOM 254 H TRP A 30 24.806 3.971 18.338 1.00 0.00 H ATOM 255 N ASP A 31 28.938 3.255 17.098 1.00 53.46 N ATOM 256 CA ASP A 31 30.142 4.045 16.850 1.00 61.51 C ATOM 257 C ASP A 31 30.420 4.306 15.368 1.00 69.44 C ATOM 258 O ASP A 31 30.963 5.367 15.034 1.00 89.37 O ATOM 259 CB ASP A 31 31.354 3.360 17.491 1.00 66.21 C ATOM 260 CG ASP A 31 31.984 2.323 16.589 1.00 75.71 C ATOM 261 OD1 ASP A 31 33.189 2.458 16.285 1.00 77.26 O ATOM 262 OD2 ASP A 31 31.268 1.390 16.165 1.00 84.34 O ATOM 263 H ASP A 31 29.003 2.218 17.134 1.00 0.00 H ATOM 264 N ALA A 32 30.069 3.379 14.478 1.00 66.62 N ATOM 265 CA ALA A 32 30.356 3.498 13.039 1.00 65.37 C ATOM 266 C ALA A 32 31.833 3.778 12.759 1.00 74.94 C ATOM 267 O ALA A 32 32.601 2.869 12.441 1.00 79.55 O ATOM 268 CB ALA A 32 29.485 4.584 12.402 1.00 47.71 C ATOM 269 H ALA A 32 29.569 2.532 14.815 1.00 0.00 H TER 270 ALA A 32 ATOM 271 N GLU A 50 22.979 17.427 4.175 1.00 47.90 N ATOM 272 CA GLU A 50 22.259 17.049 5.386 1.00 64.41 C ATOM 273 C GLU A 50 20.757 17.019 5.139 1.00 61.25 C ATOM 274 O GLU A 50 19.994 16.466 5.933 1.00 65.20 O ATOM 275 CB GLU A 50 22.581 18.014 6.526 1.00 66.03 C ATOM 276 HN3 GLU A 50 22.671 18.373 3.871 1.00 0.00 H ATOM 277 HN2 GLU A 50 22.777 16.737 3.424 1.00 0.00 H ATOM 278 HN1 GLU A 50 24.000 17.440 4.370 1.00 0.00 H ATOM 279 N VAL A 51 20.350 17.632 4.028 1.00 54.69 N ATOM 280 CA VAL A 51 18.942 17.655 3.645 1.00 53.09 C ATOM 281 C VAL A 51 18.459 16.255 3.287 1.00 52.90 C ATOM 282 O VAL A 51 17.317 15.882 3.587 1.00 44.15 O ATOM 283 CB VAL A 51 18.736 18.639 2.477 1.00 51.74 C ATOM 284 CG1 VAL A 51 17.263 18.726 2.088 1.00 52.75 C ATOM 285 CG2 VAL A 51 19.289 20.017 2.833 1.00 53.50 C ATOM 286 H VAL A 51 21.050 18.104 3.421 1.00 0.00 H ATOM 287 N VAL A 52 19.316 15.458 2.642 1.00 55.15 N ATOM 288 CA VAL A 52 18.918 14.116 2.224 1.00 57.29 C ATOM 289 C VAL A 52 18.646 13.232 3.434 1.00 56.30 C ATOM 290 O VAL A 52 17.702 12.433 3.432 1.00 49.75 O ATOM 291 CB VAL A 52 19.989 13.492 1.310 1.00 45.45 C ATOM 292 CG1 VAL A 52 19.510 12.165 0.783 1.00 37.95 C ATOM 293 CG2 VAL A 52 20.324 14.417 0.158 1.00 45.93 C ATOM 294 H VAL A 52 20.277 15.797 2.435 1.00 0.00 H ATOM 295 N HIS A 53 19.469 13.354 4.482 1.00 56.45 N ATOM 296 CA HIS A 53 19.307 12.507 5.661 1.00 41.80 C ATOM 297 C HIS A 53 17.973 12.764 6.347 1.00 45.17 C ATOM 298 O HIS A 53 17.335 11.836 6.858 1.00 49.71 O ATOM 299 CB HIS A 53 20.453 12.747 6.644 1.00 37.00 C ATOM 300 CG HIS A 53 21.803 12.418 6.092 1.00 36.39 C ATOM 301 ND1 HIS A 53 22.841 13.323 6.080 1.00 41.13 N ATOM 302 CD2 HIS A 53 22.291 11.279 5.549 1.00 35.10 C ATOM 303 CE1 HIS A 53 23.908 12.763 5.540 1.00 40.76 C ATOM 304 NE2 HIS A 53 23.601 11.521 5.209 1.00 36.95 N ATOM 305 H HIS A 53 20.232 14.060 4.457 1.00 0.00 H ATOM 306 N LEU A 54 17.544 14.023 6.382 1.00 41.14 N ATOM 307 CA LEU A 54 16.275 14.369 7.008 1.00 51.66 C ATOM 308 C LEU A 54 15.087 13.988 6.131 1.00 56.69 C ATOM 309 O LEU A 54 14.004 13.698 6.652 1.00 61.20 O ATOM 310 CB LEU A 54 16.245 15.867 7.327 1.00 54.99 C ATOM 311 CG LEU A 54 16.844 16.347 8.656 1.00 68.59 C ATOM 312 CD1 LEU A 54 18.243 15.787 8.914 1.00 69.88 C ATOM 313 CD2 LEU A 54 16.865 17.873 8.701 1.00 67.31 C ATOM 314 H LEU A 54 18.125 14.773 5.955 1.00 0.00 H ATOM 315 N THR A 55 15.266 13.979 4.808 1.00 55.93 N ATOM 316 CA THR A 55 14.178 13.577 3.924 1.00 48.90 C ATOM 317 C THR A 55 13.969 12.067 3.964 1.00 53.45 C ATOM 318 O THR A 55 12.827 11.590 3.991 1.00 55.00 O ATOM 319 CB THR A 55 14.464 14.043 2.498 1.00 52.38 C ATOM 320 OG1 THR A 55 14.833 15.430 2.509 1.00 55.18 O ATOM 321 CG2 THR A 55 13.232 13.871 1.632 1.00 60.49 C ATOM 322 HG1 THR A 55 15.644 15.550 3.064 1.00 0.00 H ATOM 323 H THR A 55 16.184 14.259 4.407 1.00 0.00 H ATOM 324 N LEU A 56 15.061 11.302 3.976 1.00 37.18 N ATOM 325 CA LEU A 56 14.951 9.847 4.036 1.00 46.14 C ATOM 326 C LEU A 56 14.336 9.397 5.352 1.00 50.21 C ATOM 327 O LEU A 56 13.500 8.486 5.377 1.00 50.65 O ATOM 328 CB LEU A 56 16.328 9.216 3.852 1.00 32.87 C ATOM 329 CG LEU A 56 16.371 7.695 3.831 1.00 36.68 C ATOM 330 CD1 LEU A 56 15.561 7.154 2.661 1.00 31.08 C ATOM 331 CD2 LEU A 56 17.812 7.237 3.752 1.00 47.82 C ATOM 332 H LEU A 56 16.001 11.746 3.942 1.00 0.00 H ATOM 333 N ARG A 57 14.749 10.025 6.456 1.00 51.65 N ATOM 334 CA ARG A 57 14.226 9.685 7.773 1.00 53.47 C ATOM 335 C ARG A 57 12.723 9.926 7.869 1.00 54.66 C ATOM 336 O ARG A 57 12.020 9.187 8.569 1.00 55.23 O ATOM 337 CB ARG A 57 14.974 10.498 8.828 1.00 57.96 C ATOM 338 CG ARG A 57 14.433 10.397 10.232 1.00 60.49 C ATOM 339 CD ARG A 57 15.037 11.495 11.085 1.00 71.20 C ATOM 340 NE ARG A 57 16.481 11.588 10.891 1.00 71.52 N ATOM 341 CZ ARG A 57 17.259 12.484 11.489 1.00 62.12 C ATOM 342 NH1 ARG A 57 16.731 13.368 12.323 1.00 63.34 N ATOM 343 NH2 ARG A 57 18.563 12.496 11.252 1.00 57.99 N ATOM 344 HE ARG A 57 16.930 10.909 10.243 1.00 0.00 H ATOM 345 HH12 ARG A 57 17.340 14.069 12.791 1.00 0.00 H ATOM 346 HH11 ARG A 57 15.708 13.360 12.509 1.00 0.00 H ATOM 347 HH22 ARG A 57 19.170 13.198 11.721 1.00 0.00 H ATOM 348 HH21 ARG A 57 18.979 11.803 10.597 1.00 0.00 H ATOM 349 H ARG A 57 15.463 10.777 6.374 1.00 0.00 H ATOM 350 N GLN A 58 12.212 10.945 7.174 1.00 44.70 N ATOM 351 CA GLN A 58 10.784 11.252 7.223 1.00 52.54 C ATOM 352 C GLN A 58 9.969 10.276 6.384 1.00 55.15 C ATOM 353 O GLN A 58 8.856 9.899 6.770 1.00 54.49 O ATOM 354 CB GLN A 58 10.534 12.688 6.751 1.00 55.31 C ATOM 355 CG GLN A 58 9.085 13.151 6.904 1.00 69.87 C ATOM 356 CD GLN A 58 8.838 14.556 6.362 1.00 82.50 C ATOM 357 OE1 GLN A 58 9.718 15.170 5.753 1.00 82.93 O ATOM 358 NE2 GLN A 58 7.630 15.067 6.581 1.00 84.07 N ATOM 359 HE22 GLN A 58 6.918 14.514 7.099 1.00 0.00 H ATOM 360 HE21 GLN A 58 7.398 16.019 6.234 1.00 0.00 H ATOM 361 H GLN A 58 12.841 11.530 6.588 1.00 0.00 H ATOM 362 N ALA A 59 10.503 9.862 5.231 1.00 45.07 N ATOM 363 CA ALA A 59 9.781 8.928 4.376 1.00 44.20 C ATOM 364 C ALA A 59 9.667 7.554 5.026 1.00 48.43 C ATOM 365 O ALA A 59 8.616 6.909 4.944 1.00 60.56 O ATOM 366 CB ALA A 59 10.470 8.823 3.017 1.00 40.64 C ATOM 367 H ALA A 59 11.440 10.209 4.942 1.00 0.00 H ATOM 368 N VAL A 60 10.736 7.088 5.677 1.00 40.25 N ATOM 369 CA VAL A 60 10.692 5.772 6.309 1.00 46.06 C ATOM 370 C VAL A 60 9.736 5.769 7.499 1.00 54.46 C ATOM 371 O VAL A 60 9.140 4.734 7.822 1.00 57.64 O ATOM 372 CB VAL A 60 12.106 5.322 6.723 1.00 45.29 C ATOM 373 CG1 VAL A 60 13.014 5.224 5.515 1.00 32.68 C ATOM 374 CG2 VAL A 60 12.694 6.269 7.761 1.00 59.86 C ATOM 375 H VAL A 60 11.601 7.663 5.734 1.00 0.00 H ATOM 376 N ASP A 61 9.567 6.913 8.168 1.00 54.76 N ATOM 377 CA ASP A 61 8.606 6.983 9.264 1.00 64.25 C ATOM 378 C ASP A 61 7.174 6.924 8.743 1.00 61.61 C ATOM 379 O ASP A 61 6.303 6.307 9.367 1.00 61.07 O ATOM 380 CB ASP A 61 8.842 8.251 10.083 1.00 76.98 C ATOM 381 CG ASP A 61 10.186 8.241 10.794 1.00 98.39 C ATOM 382 OD1 ASP A 61 10.710 7.139 11.061 1.00102.89 O ATOM 383 OD2 ASP A 61 10.719 9.333 11.088 1.00107.76 O ATOM 384 H ASP A 61 10.121 7.754 7.908 1.00 0.00 H ATOM 385 N ASP A 62 6.915 7.555 7.596 1.00 46.20 N ATOM 386 CA ASP A 62 5.611 7.421 6.959 1.00 62.58 C ATOM 387 C ASP A 62 5.366 5.991 6.492 1.00 60.42 C ATOM 388 O ASP A 62 4.223 5.519 6.501 1.00 64.70 O ATOM 389 CB ASP A 62 5.506 8.397 5.787 1.00 69.38 C ATOM 390 CG ASP A 62 4.281 8.155 4.936 1.00 84.27 C ATOM 391 OD1 ASP A 62 3.163 8.452 5.408 1.00 89.27 O ATOM 392 OD2 ASP A 62 4.437 7.664 3.797 1.00 87.75 O ATOM 393 H ASP A 62 7.648 8.146 7.154 1.00 0.00 H ATOM 394 N PHE A 63 6.425 5.285 6.094 1.00 50.67 N ATOM 395 CA PHE A 63 6.278 3.901 5.663 1.00 47.15 C ATOM 396 C PHE A 63 5.936 2.990 6.834 1.00 57.87 C ATOM 397 O PHE A 63 5.188 2.019 6.672 1.00 67.01 O ATOM 398 CB PHE A 63 7.563 3.441 4.978 1.00 49.34 C ATOM 399 CG PHE A 63 7.482 2.065 4.403 1.00 53.66 C ATOM 400 CD1 PHE A 63 6.846 1.842 3.195 1.00 59.66 C ATOM 401 CD2 PHE A 63 8.056 0.992 5.061 1.00 60.75 C ATOM 402 CE1 PHE A 63 6.775 0.568 2.656 1.00 60.18 C ATOM 403 CE2 PHE A 63 7.991 -0.280 4.530 1.00 59.53 C ATOM 404 CZ PHE A 63 7.349 -0.492 3.324 1.00 58.60 C ATOM 405 H PHE A 63 7.366 5.727 6.091 1.00 0.00 H ATOM 406 N SER A 64 6.479 3.284 8.019 1.00 55.45 N ATOM 407 CA SER A 64 6.164 2.484 9.197 1.00 62.28 C ATOM 408 C SER A 64 4.730 2.712 9.645 1.00 72.47 C ATOM 409 O SER A 64 4.025 1.761 10.000 1.00 84.91 O ATOM 410 CB SER A 64 7.135 2.815 10.328 1.00 57.59 C ATOM 411 OG SER A 64 8.465 2.532 9.940 1.00 61.73 O ATOM 412 HG SER A 64 8.699 3.076 9.146 1.00 0.00 H ATOM 413 H SER A 64 7.131 4.090 8.102 1.00 0.00 H ATOM 414 N ARG A 65 4.288 3.970 9.644 1.00 62.40 N ATOM 415 CA ARG A 65 2.903 4.276 9.981 1.00 61.37 C ATOM 416 C ARG A 65 1.942 3.586 9.025 1.00 73.93 C ATOM 417 O ARG A 65 0.872 3.121 9.435 1.00 80.62 O ATOM 418 CB ARG A 65 2.687 5.789 9.954 1.00 52.89 C ATOM 419 CG ARG A 65 3.412 6.541 11.057 1.00 66.55 C ATOM 420 CD ARG A 65 3.483 8.033 10.758 1.00 76.68 C ATOM 421 NE ARG A 65 3.589 8.840 11.973 1.00 86.50 N ATOM 422 CZ ARG A 65 4.708 9.009 12.673 1.00 92.35 C ATOM 423 NH1 ARG A 65 5.833 8.419 12.291 1.00 95.83 N ATOM 424 NH2 ARG A 65 4.700 9.766 13.763 1.00 91.55 N ATOM 425 HE ARG A 65 2.729 9.315 12.314 1.00 0.00 H ATOM 426 HH12 ARG A 65 6.704 8.555 12.842 1.00 0.00 H ATOM 427 HH11 ARG A 65 5.844 7.821 11.440 1.00 0.00 H ATOM 428 HH22 ARG A 65 5.574 9.898 14.311 1.00 0.00 H ATOM 429 HH21 ARG A 65 3.820 10.227 14.070 1.00 0.00 H ATOM 430 H ARG A 65 4.940 4.743 9.400 1.00 0.00 H ATOM 431 N ARG A 66 2.312 3.506 7.746 1.00 77.97 N ATOM 432 CA ARG A 66 1.421 2.939 6.740 1.00 80.63 C ATOM 433 C ARG A 66 1.183 1.453 6.981 1.00 73.05 C ATOM 434 O ARG A 66 0.045 0.978 6.891 1.00 80.86 O ATOM 435 CB ARG A 66 2.002 3.175 5.346 1.00 85.12 C ATOM 436 CG ARG A 66 1.306 2.420 4.222 1.00 96.01 C ATOM 437 CD ARG A 66 0.301 3.290 3.482 1.00104.58 C ATOM 438 NE ARG A 66 -1.044 3.181 4.037 1.00110.77 N ATOM 439 CZ ARG A 66 -1.941 2.282 3.643 1.00115.03 C ATOM 440 NH1 ARG A 66 -1.635 1.410 2.691 1.00117.01 N ATOM 441 NH2 ARG A 66 -3.143 2.253 4.202 1.00115.70 N ATOM 442 HE ARG A 66 -1.318 3.847 4.787 1.00 0.00 H ATOM 443 HH12 ARG A 66 -2.338 0.707 2.384 1.00 0.00 H ATOM 444 HH11 ARG A 66 -0.692 1.429 2.252 1.00 0.00 H ATOM 445 HH22 ARG A 66 -3.843 1.549 3.893 1.00 0.00 H ATOM 446 HH21 ARG A 66 -3.385 2.934 4.950 1.00 0.00 H ATOM 447 H ARG A 66 3.250 3.853 7.462 1.00 0.00 H ATOM 448 N TYR A 67 2.235 0.706 7.295 1.00 87.59 N ATOM 449 CA TYR A 67 2.144 -0.736 7.471 1.00 77.31 C ATOM 450 C TYR A 67 2.487 -1.139 8.899 1.00 79.73 C ATOM 451 O TYR A 67 3.147 -2.152 9.139 1.00 79.38 O ATOM 452 CB TYR A 67 3.043 -1.456 6.473 1.00 71.93 C ATOM 453 CG TYR A 67 2.760 -1.083 5.038 1.00 74.26 C ATOM 454 CD1 TYR A 67 1.570 -1.455 4.427 1.00 80.32 C ATOM 455 CD2 TYR A 67 3.683 -0.362 4.291 1.00 73.05 C ATOM 456 CE1 TYR A 67 1.303 -1.116 3.112 1.00 77.52 C ATOM 457 CE2 TYR A 67 3.426 -0.020 2.976 1.00 70.29 C ATOM 458 CZ TYR A 67 2.235 -0.400 2.392 1.00 73.38 C ATOM 459 OH TYR A 67 1.973 -0.066 1.084 1.00 71.48 O ATOM 460 HH TYR A 67 1.082 -0.414 0.828 1.00 0.00 H ATOM 461 H TYR A 67 3.158 1.168 7.420 1.00 0.00 H ATOM 462 N ARG A 68 2.032 -0.344 9.870 1.00 75.33 N ATOM 463 CA ARG A 68 2.273 -0.675 11.270 1.00 72.13 C ATOM 464 C ARG A 68 1.672 -2.031 11.625 1.00 77.44 C ATOM 465 O ARG A 68 2.248 -2.783 12.420 1.00 69.53 O ATOM 466 CB ARG A 68 1.706 0.424 12.166 1.00 70.67 C ATOM 467 CG ARG A 68 1.855 0.165 13.651 1.00 75.52 C ATOM 468 CD ARG A 68 1.214 1.275 14.468 1.00 83.44 C ATOM 469 NE ARG A 68 1.854 2.568 14.240 1.00 92.24 N ATOM 470 CZ ARG A 68 1.314 3.567 13.546 1.00 93.91 C ATOM 471 NH1 ARG A 68 0.109 3.433 13.008 1.00 95.03 N ATOM 472 NH2 ARG A 68 1.978 4.705 13.396 1.00 89.97 N ATOM 473 HE ARG A 68 2.798 2.719 14.649 1.00 0.00 H ATOM 474 HH12 ARG A 68 -0.309 4.216 12.467 1.00 0.00 H ATOM 475 HH11 ARG A 68 -0.418 2.544 13.128 1.00 0.00 H ATOM 476 HH22 ARG A 68 1.556 5.486 12.854 1.00 0.00 H ATOM 477 HH21 ARG A 68 2.921 4.817 13.821 1.00 0.00 H ATOM 478 H ARG A 68 1.502 0.517 9.627 1.00 0.00 H ATOM 479 N ARG A 69 0.522 -2.363 11.031 1.00 83.36 N ATOM 480 CA ARG A 69 -0.114 -3.653 11.288 1.00 89.51 C ATOM 481 C ARG A 69 0.814 -4.805 10.928 1.00 88.56 C ATOM 482 O ARG A 69 1.091 -5.681 11.756 1.00 94.86 O ATOM 483 CB ARG A 69 -1.423 -3.757 10.502 1.00 90.70 C ATOM 484 CG ARG A 69 -2.110 -5.114 10.599 1.00 94.18 C ATOM 485 CD ARG A 69 -2.572 -5.392 12.018 1.00101.42 C ATOM 486 NE ARG A 69 -3.264 -4.236 12.578 1.00108.60 N ATOM 487 CZ ARG A 69 -4.561 -3.995 12.423 1.00108.89 C ATOM 488 NH1 ARG A 69 -5.314 -4.836 11.726 1.00113.54 N ATOM 489 NH2 ARG A 69 -5.102 -2.913 12.964 1.00103.88 N ATOM 490 HE ARG A 69 -2.706 -3.557 13.134 1.00 0.00 H ATOM 491 HH12 ARG A 69 -6.329 -4.647 11.605 1.00 0.00 H ATOM 492 HH11 ARG A 69 -4.889 -5.684 11.301 1.00 0.00 H ATOM 493 HH22 ARG A 69 -6.117 -2.723 12.843 1.00 0.00 H ATOM 494 HH21 ARG A 69 -4.511 -2.253 13.509 1.00 0.00 H ATOM 495 H ARG A 69 0.073 -1.692 10.375 1.00 0.00 H ATOM 496 N ASP A 70 1.308 -4.819 9.692 1.00 82.22 N ATOM 497 CA ASP A 70 2.173 -5.896 9.237 1.00 78.95 C ATOM 498 C ASP A 70 3.598 -5.780 9.762 1.00 76.53 C ATOM 499 O ASP A 70 4.349 -6.758 9.677 1.00 74.78 O ATOM 500 CB ASP A 70 2.177 -5.945 7.708 1.00 77.51 C ATOM 501 CG ASP A 70 0.850 -6.414 7.139 1.00 88.00 C ATOM 502 OD1 ASP A 70 0.216 -7.297 7.755 1.00 92.82 O ATOM 503 OD2 ASP A 70 0.436 -5.899 6.080 1.00 92.39 O ATOM 504 H ASP A 70 1.071 -4.045 9.039 1.00 0.00 H ATOM 505 N PHE A 71 3.991 -4.625 10.305 1.00 76.21 N ATOM 506 CA PHE A 71 5.331 -4.511 10.870 1.00 70.94 C ATOM 507 C PHE A 71 5.444 -5.283 12.172 1.00 71.43 C ATOM 508 O PHE A 71 6.495 -5.864 12.468 1.00 76.77 O ATOM 509 CB PHE A 71 5.699 -3.046 11.089 1.00 71.16 C ATOM 510 CG PHE A 71 6.623 -2.510 10.049 1.00 74.97 C ATOM 511 CD1 PHE A 71 7.977 -2.782 10.107 1.00 73.94 C ATOM 512 CD2 PHE A 71 6.137 -1.755 8.997 1.00 80.05 C ATOM 513 CE1 PHE A 71 8.829 -2.299 9.140 1.00 79.27 C ATOM 514 CE2 PHE A 71 6.984 -1.270 8.028 1.00 82.84 C ATOM 515 CZ PHE A 71 8.329 -1.544 8.098 1.00 81.28 C ATOM 516 H PHE A 71 3.345 -3.810 10.325 1.00 0.00 H ATOM 517 N ALA A 72 4.373 -5.295 12.964 1.00 73.20 N ATOM 518 CA ALA A 72 4.371 -6.089 14.186 1.00 75.36 C ATOM 519 C ALA A 72 4.503 -7.571 13.869 1.00 80.06 C ATOM 520 O ALA A 72 5.270 -8.290 14.522 1.00 83.48 O ATOM 521 CB ALA A 72 3.096 -5.817 14.982 1.00 79.52 C ATOM 522 H ALA A 72 3.534 -4.735 12.709 1.00 0.00 H ATOM 523 N GLU A 73 3.769 -8.042 12.859 1.00 84.47 N ATOM 524 CA GLU A 73 3.810 -9.455 12.496 1.00 88.15 C ATOM 525 C GLU A 73 5.209 -9.870 12.057 1.00 88.73 C ATOM 526 O GLU A 73 5.763 -10.856 12.557 1.00 93.83 O ATOM 527 CB GLU A 73 2.789 -9.736 11.391 1.00 87.30 C ATOM 528 CG GLU A 73 2.745 -11.186 10.929 1.00 88.15 C ATOM 529 CD GLU A 73 1.386 -11.831 11.144 1.00 87.23 C ATOM 530 OE1 GLU A 73 0.396 -11.091 11.329 1.00 83.91 O ATOM 531 OE2 GLU A 73 1.308 -13.079 11.131 1.00 86.89 O ATOM 532 H GLU A 73 3.159 -7.393 12.323 1.00 0.00 H ATOM 533 N MET A 74 5.800 -9.115 11.128 1.00 82.75 N ATOM 534 CA MET A 74 7.100 -9.487 10.579 1.00 82.18 C ATOM 535 C MET A 74 8.189 -9.494 11.643 1.00 81.67 C ATOM 536 O MET A 74 9.124 -10.300 11.567 1.00 82.68 O ATOM 537 CB MET A 74 7.482 -8.534 9.448 1.00 85.15 C ATOM 538 CG MET A 74 8.867 -8.782 8.888 1.00 90.78 C ATOM 539 SD MET A 74 9.434 -7.428 7.854 1.00 97.79 S ATOM 540 CE MET A 74 9.164 -6.041 8.951 1.00 93.57 C ATOM 541 H MET A 74 5.328 -8.251 10.791 1.00 0.00 H ATOM 542 N SER A 75 8.088 -8.609 12.638 1.00 78.82 N ATOM 543 CA SER A 75 9.116 -8.531 13.670 1.00 77.99 C ATOM 544 C SER A 75 9.270 -9.861 14.397 1.00 84.51 C ATOM 545 O SER A 75 10.389 -10.340 14.614 1.00 90.86 O ATOM 546 CB SER A 75 8.782 -7.417 14.659 1.00 75.64 C ATOM 547 OG SER A 75 9.741 -7.369 15.699 1.00 79.55 O ATOM 548 HG SER A 75 9.507 -6.642 16.329 1.00 0.00 H ATOM 549 H SER A 75 7.269 -7.969 12.677 1.00 0.00 H ATOM 550 N SER A 76 8.151 -10.475 14.780 1.00 81.18 N ATOM 551 CA SER A 76 8.220 -11.777 15.432 1.00 82.47 C ATOM 552 C SER A 76 8.536 -12.880 14.427 1.00 86.42 C ATOM 553 O SER A 76 9.300 -13.803 14.731 1.00 90.08 O ATOM 554 CB SER A 76 6.909 -12.063 16.163 1.00 85.14 C ATOM 555 OG SER A 76 6.991 -13.269 16.902 1.00 90.33 O ATOM 556 HG SER A 76 6.131 -13.430 17.365 1.00 0.00 H ATOM 557 H SER A 76 7.228 -10.025 14.614 1.00 0.00 H ATOM 558 N GLN A 77 7.963 -12.796 13.222 1.00 90.69 N ATOM 559 CA GLN A 77 8.241 -13.770 12.170 1.00 97.93 C ATOM 560 C GLN A 77 9.727 -13.848 11.829 1.00105.57 C ATOM 561 O GLN A 77 10.186 -14.880 11.326 1.00104.18 O ATOM 562 CB GLN A 77 7.416 -13.417 10.922 1.00101.92 C ATOM 563 CG GLN A 77 7.717 -14.231 9.660 1.00107.65 C ATOM 564 CD GLN A 77 6.747 -15.382 9.437 1.00109.11 C ATOM 565 OE1 GLN A 77 5.751 -15.521 10.148 1.00111.12 O ATOM 566 NE2 GLN A 77 7.036 -16.212 8.439 1.00104.48 N ATOM 567 HE22 GLN A 77 7.888 -16.057 7.864 1.00 0.00 H ATOM 568 HE21 GLN A 77 6.410 -17.016 8.234 1.00 0.00 H ATOM 569 H GLN A 77 7.302 -12.017 13.029 1.00 0.00 H ATOM 570 N LEU A 78 10.491 -12.795 12.113 1.00 68.65 N ATOM 571 CA LEU A 78 11.911 -12.758 11.783 1.00 72.47 C ATOM 572 C LEU A 78 12.708 -13.538 12.824 1.00 87.22 C ATOM 573 O LEU A 78 12.718 -13.178 14.007 1.00 90.27 O ATOM 574 CB LEU A 78 12.390 -11.311 11.706 1.00 65.98 C ATOM 575 CG LEU A 78 13.795 -11.053 11.162 1.00 67.76 C ATOM 576 CD1 LEU A 78 13.859 -11.369 9.676 1.00 74.31 C ATOM 577 CD2 LEU A 78 14.207 -9.614 11.425 1.00 67.75 C ATOM 578 H LEU A 78 10.062 -11.974 12.585 1.00 0.00 H ATOM 579 N HIS A 79 13.374 -14.605 12.383 1.00 84.80 N ATOM 580 CA HIS A 79 14.221 -15.423 13.250 1.00 78.80 C ATOM 581 C HIS A 79 15.671 -15.064 12.948 1.00 64.89 C ATOM 582 O HIS A 79 16.370 -15.740 12.192 1.00 78.94 O ATOM 583 CB HIS A 79 13.946 -16.906 13.034 1.00 88.81 C ATOM 584 CG HIS A 79 12.529 -17.300 13.300 1.00 97.21 C ATOM 585 ND1 HIS A 79 11.954 -18.424 12.748 1.00100.50 N ATOM 586 CD2 HIS A 79 11.571 -16.723 14.063 1.00100.81 C ATOM 587 CE1 HIS A 79 10.702 -18.521 13.157 1.00103.88 C ATOM 588 NE2 HIS A 79 10.445 -17.502 13.957 1.00103.92 N ATOM 589 H HIS A 79 13.288 -14.867 11.380 1.00 0.00 H ATOM 590 N LEU A 80 16.122 -13.975 13.554 1.00 33.74 N ATOM 591 CA LEU A 80 17.416 -13.394 13.230 1.00 35.23 C ATOM 592 C LEU A 80 18.498 -13.998 14.117 1.00 41.65 C ATOM 593 O LEU A 80 18.401 -13.950 15.348 1.00 29.43 O ATOM 594 CB LEU A 80 17.371 -11.877 13.402 1.00 31.58 C ATOM 595 CG LEU A 80 18.688 -11.151 13.140 1.00 43.37 C ATOM 596 CD1 LEU A 80 19.194 -11.488 11.752 1.00 53.30 C ATOM 597 CD2 LEU A 80 18.517 -9.642 13.307 1.00 37.68 C ATOM 598 H LEU A 80 15.534 -13.522 14.283 1.00 0.00 H ATOM 599 N THR A 81 19.518 -14.578 13.494 1.00 25.44 N ATOM 600 CA THR A 81 20.725 -14.951 14.222 1.00 24.26 C ATOM 601 C THR A 81 21.928 -14.576 13.366 1.00 30.82 C ATOM 602 O THR A 81 21.768 -14.293 12.167 1.00 24.10 O ATOM 603 CB THR A 81 20.790 -16.447 14.528 1.00 26.84 C ATOM 604 OG1 THR A 81 21.350 -17.108 13.391 1.00 20.26 O ATOM 605 CG2 THR A 81 19.419 -17.026 14.831 1.00 30.15 C ATOM 606 HG1 THR A 81 21.401 -18.081 13.568 1.00 0.00 H ATOM 607 H THR A 81 19.455 -14.769 12.474 1.00 0.00 H ATOM 608 N PRO A 82 23.143 -14.575 13.927 1.00 33.55 N ATOM 609 CA PRO A 82 24.327 -14.345 13.086 1.00 30.49 C ATOM 610 C PRO A 82 24.492 -15.363 11.974 1.00 37.80 C ATOM 611 O PRO A 82 25.181 -15.060 10.993 1.00 37.14 O ATOM 612 CB PRO A 82 25.488 -14.413 14.090 1.00 20.10 C ATOM 613 CG PRO A 82 24.879 -13.984 15.368 1.00 25.15 C ATOM 614 CD PRO A 82 23.496 -14.576 15.359 1.00 29.20 C ATOM 615 N PHE A 83 23.880 -16.552 12.082 1.00 28.47 N ATOM 616 CA PHE A 83 24.007 -17.559 11.031 1.00 28.41 C ATOM 617 C PHE A 83 23.024 -17.368 9.877 1.00 30.81 C ATOM 618 O PHE A 83 23.223 -17.966 8.815 1.00 41.16 O ATOM 619 CB PHE A 83 23.833 -18.966 11.615 1.00 26.99 C ATOM 620 CG PHE A 83 24.758 -19.261 12.762 1.00 32.95 C ATOM 621 CD1 PHE A 83 26.121 -19.417 12.550 1.00 33.31 C ATOM 622 CD2 PHE A 83 24.270 -19.360 14.053 1.00 26.46 C ATOM 623 CE1 PHE A 83 26.979 -19.673 13.609 1.00 33.11 C ATOM 624 CE2 PHE A 83 25.123 -19.627 15.115 1.00 36.09 C ATOM 625 CZ PHE A 83 26.478 -19.784 14.890 1.00 25.37 C ATOM 626 H PHE A 83 23.308 -16.760 12.925 1.00 0.00 H ATOM 627 N THR A 84 21.978 -16.558 10.045 1.00 26.25 N ATOM 628 CA THR A 84 20.953 -16.409 9.019 1.00 32.38 C ATOM 629 C THR A 84 20.824 -14.999 8.453 1.00 36.52 C ATOM 630 O THR A 84 20.109 -14.820 7.457 1.00 24.91 O ATOM 631 CB THR A 84 19.586 -16.842 9.573 1.00 31.56 C ATOM 632 OG1 THR A 84 19.215 -15.979 10.657 1.00 28.71 O ATOM 633 CG2 THR A 84 19.648 -18.266 10.082 1.00 34.42 C ATOM 634 HG1 THR A 84 18.335 -16.258 11.013 1.00 0.00 H ATOM 635 H THR A 84 21.891 -16.019 10.930 1.00 0.00 H ATOM 636 N ALA A 85 21.517 -14.010 9.029 1.00 27.79 N ATOM 637 CA ALA A 85 21.293 -12.607 8.683 1.00 23.34 C ATOM 638 C ALA A 85 21.670 -12.310 7.239 1.00 34.21 C ATOM 639 O ALA A 85 20.893 -11.690 6.504 1.00 35.13 O ATOM 640 CB ALA A 85 22.082 -11.700 9.627 1.00 20.94 C ATOM 641 H ALA A 85 22.235 -14.246 9.743 1.00 0.00 H ATOM 642 N ARG A 86 22.873 -12.709 6.821 1.00 23.16 N ATOM 643 CA ARG A 86 23.287 -12.407 5.457 1.00 27.93 C ATOM 644 C ARG A 86 22.342 -13.043 4.448 1.00 37.55 C ATOM 645 O ARG A 86 22.007 -12.432 3.427 1.00 31.61 O ATOM 646 CB ARG A 86 24.719 -12.873 5.211 1.00 33.42 C ATOM 647 CG ARG A 86 25.227 -12.502 3.820 1.00 34.38 C ATOM 648 CD ARG A 86 26.396 -13.377 3.407 1.00 61.79 C ATOM 649 NE ARG A 86 27.568 -13.132 4.240 1.00 76.19 N ATOM 650 CZ ARG A 86 28.456 -12.172 4.003 1.00 91.51 C ATOM 651 NH1 ARG A 86 28.303 -11.370 2.957 1.00 93.87 N ATOM 652 NH2 ARG A 86 29.496 -12.012 4.811 1.00 98.30 N ATOM 653 HE ARG A 86 27.717 -13.744 5.067 1.00 0.00 H ATOM 654 HH12 ARG A 86 28.998 -10.619 2.772 1.00 0.00 H ATOM 655 HH11 ARG A 86 27.488 -11.493 2.323 1.00 0.00 H ATOM 656 HH22 ARG A 86 30.189 -11.260 4.623 1.00 0.00 H ATOM 657 HH21 ARG A 86 29.618 -12.639 5.632 1.00 0.00 H ATOM 658 H ARG A 86 23.507 -13.229 7.461 1.00 0.00 H ATOM 659 N GLY A 87 21.888 -14.265 4.726 1.00 36.05 N ATOM 660 CA GLY A 87 20.961 -14.914 3.815 1.00 27.49 C ATOM 661 C GLY A 87 19.578 -14.293 3.854 1.00 38.70 C ATOM 662 O GLY A 87 18.933 -14.127 2.814 1.00 33.79 O ATOM 663 H GLY A 87 22.196 -14.752 5.592 1.00 0.00 H ATOM 664 N ARG A 88 19.095 -13.968 5.054 1.00 25.78 N ATOM 665 CA ARG A 88 17.831 -13.253 5.195 1.00 26.30 C ATOM 666 C ARG A 88 17.871 -11.926 4.443 1.00 35.85 C ATOM 667 O ARG A 88 16.925 -11.577 3.726 1.00 30.67 O ATOM 668 CB ARG A 88 17.543 -13.015 6.680 1.00 34.89 C ATOM 669 CG ARG A 88 16.133 -12.550 7.004 1.00 39.84 C ATOM 670 CD ARG A 88 15.202 -13.740 7.139 1.00 47.19 C ATOM 671 NE ARG A 88 14.505 -14.046 5.897 1.00 56.73 N ATOM 672 CZ ARG A 88 13.221 -13.782 5.685 1.00 63.18 C ATOM 673 NH1 ARG A 88 12.495 -13.214 6.639 1.00 66.90 N ATOM 674 NH2 ARG A 88 12.659 -14.093 4.526 1.00 57.68 N ATOM 675 HE ARG A 88 15.045 -14.498 5.131 1.00 0.00 H ATOM 676 HH12 ARG A 88 11.489 -13.007 6.474 1.00 0.00 H ATOM 677 HH11 ARG A 88 12.932 -12.976 7.552 1.00 0.00 H ATOM 678 HH22 ARG A 88 11.653 -13.885 4.363 1.00 0.00 H ATOM 679 HH21 ARG A 88 13.224 -14.545 3.779 1.00 0.00 H ATOM 680 H ARG A 88 19.630 -14.230 5.906 1.00 0.00 H ATOM 681 N PHE A 89 18.971 -11.182 4.588 1.00 27.70 N ATOM 682 CA PHE A 89 19.119 -9.902 3.904 1.00 28.80 C ATOM 683 C PHE A 89 19.074 -10.081 2.393 1.00 42.33 C ATOM 684 O PHE A 89 18.374 -9.342 1.690 1.00 30.12 O ATOM 685 CB PHE A 89 20.427 -9.230 4.335 1.00 30.72 C ATOM 686 CG PHE A 89 20.592 -7.824 3.813 1.00 34.31 C ATOM 687 CD1 PHE A 89 21.264 -7.584 2.618 1.00 26.42 C ATOM 688 CD2 PHE A 89 20.070 -6.746 4.513 1.00 24.62 C ATOM 689 CE1 PHE A 89 21.414 -6.288 2.131 1.00 33.40 C ATOM 690 CE2 PHE A 89 20.218 -5.454 4.046 1.00 25.31 C ATOM 691 CZ PHE A 89 20.889 -5.219 2.849 1.00 36.70 C ATOM 692 H PHE A 89 19.738 -11.523 5.202 1.00 0.00 H ATOM 693 N ALA A 90 19.807 -11.072 1.875 1.00 41.66 N ATOM 694 CA ALA A 90 19.866 -11.261 0.429 1.00 30.73 C ATOM 695 C ALA A 90 18.493 -11.582 -0.145 1.00 35.58 C ATOM 696 O ALA A 90 18.107 -11.046 -1.194 1.00 34.37 O ATOM 697 CB ALA A 90 20.863 -12.365 0.080 1.00 30.57 C ATOM 698 H ALA A 90 20.336 -11.709 2.504 1.00 0.00 H ATOM 699 N THR A 91 17.734 -12.439 0.537 1.00 32.33 N ATOM 700 CA THR A 91 16.437 -12.861 0.020 1.00 38.50 C ATOM 701 C THR A 91 15.458 -11.693 -0.046 1.00 35.48 C ATOM 702 O THR A 91 14.766 -11.511 -1.050 1.00 34.31 O ATOM 703 CB THR A 91 15.884 -13.997 0.881 1.00 33.09 C ATOM 704 OG1 THR A 91 16.782 -15.108 0.808 1.00 56.47 O ATOM 705 CG2 THR A 91 14.524 -14.444 0.383 1.00 42.31 C ATOM 706 HG1 THR A 91 17.672 -14.834 1.144 1.00 0.00 H ATOM 707 H THR A 91 18.070 -12.811 1.448 1.00 0.00 H ATOM 708 N VAL A 92 15.405 -10.876 1.006 1.00 32.16 N ATOM 709 CA VAL A 92 14.426 -9.792 1.057 1.00 35.83 C ATOM 710 C VAL A 92 14.792 -8.682 0.079 1.00 37.11 C ATOM 711 O VAL A 92 13.914 -8.059 -0.532 1.00 44.48 O ATOM 712 CB VAL A 92 14.292 -9.255 2.491 1.00 29.92 C ATOM 713 CG1 VAL A 92 13.317 -8.094 2.520 1.00 34.54 C ATOM 714 CG2 VAL A 92 13.820 -10.349 3.417 1.00 45.04 C ATOM 715 H VAL A 92 16.066 -11.011 1.797 1.00 0.00 H ATOM 716 N VAL A 93 16.085 -8.404 -0.084 1.00 37.26 N ATOM 717 CA VAL A 93 16.475 -7.351 -1.014 1.00 30.04 C ATOM 718 C VAL A 93 16.201 -7.788 -2.443 1.00 38.26 C ATOM 719 O VAL A 93 15.782 -6.985 -3.285 1.00 44.63 O ATOM 720 CB VAL A 93 17.950 -6.970 -0.800 1.00 33.22 C ATOM 721 CG1 VAL A 93 18.342 -5.863 -1.733 1.00 35.94 C ATOM 722 CG2 VAL A 93 18.162 -6.523 0.632 1.00 38.56 C ATOM 723 H VAL A 93 16.807 -8.932 0.446 1.00 0.00 H ATOM 724 N GLU A 94 16.407 -9.074 -2.730 1.00 47.53 N ATOM 725 CA GLU A 94 16.112 -9.597 -4.056 1.00 35.18 C ATOM 726 C GLU A 94 14.617 -9.566 -4.351 1.00 40.22 C ATOM 727 O GLU A 94 14.223 -9.326 -5.494 1.00 40.65 O ATOM 728 CB GLU A 94 16.672 -11.015 -4.186 1.00 49.43 C ATOM 729 CG GLU A 94 16.609 -11.608 -5.587 1.00 51.49 C ATOM 730 CD GLU A 94 15.330 -12.385 -5.835 1.00 57.79 C ATOM 731 OE1 GLU A 94 14.569 -12.585 -4.865 1.00 61.62 O ATOM 732 OE2 GLU A 94 15.083 -12.793 -6.994 1.00 59.49 O ATOM 733 H GLU A 94 16.783 -9.710 -1.998 1.00 0.00 H ATOM 734 N GLU A 95 13.767 -9.783 -3.340 1.00 44.64 N ATOM 735 CA GLU A 95 12.327 -9.696 -3.574 1.00 42.63 C ATOM 736 C GLU A 95 11.896 -8.255 -3.823 1.00 48.05 C ATOM 737 O GLU A 95 11.026 -8.000 -4.664 1.00 50.39 O ATOM 738 CB GLU A 95 11.547 -10.275 -2.391 1.00 48.93 C ATOM 739 CG GLU A 95 11.934 -11.692 -1.967 1.00 77.70 C ATOM 740 CD GLU A 95 11.580 -12.760 -2.987 1.00102.62 C ATOM 741 OE1 GLU A 95 10.706 -12.508 -3.843 1.00111.82 O ATOM 742 OE2 GLU A 95 12.175 -13.861 -2.925 1.00110.24 O ATOM 743 H GLU A 95 14.130 -10.012 -2.393 1.00 0.00 H ATOM 744 N LEU A 96 12.490 -7.299 -3.099 1.00 34.91 N ATOM 745 CA LEU A 96 12.069 -5.906 -3.226 1.00 39.88 C ATOM 746 C LEU A 96 12.311 -5.377 -4.632 1.00 40.48 C ATOM 747 O LEU A 96 11.417 -4.784 -5.243 1.00 48.43 O ATOM 748 CB LEU A 96 12.794 -5.034 -2.204 1.00 36.95 C ATOM 749 CG LEU A 96 12.185 -5.014 -0.806 1.00 49.19 C ATOM 750 CD1 LEU A 96 13.038 -4.163 0.110 1.00 40.70 C ATOM 751 CD2 LEU A 96 10.756 -4.492 -0.860 1.00 55.92 C ATOM 752 H LEU A 96 13.256 -7.549 -2.442 1.00 0.00 H ATOM 753 N PHE A 97 13.514 -5.582 -5.163 1.00 35.76 N ATOM 754 CA PHE A 97 13.917 -4.985 -6.428 1.00 36.90 C ATOM 755 C PHE A 97 13.745 -5.915 -7.622 1.00 57.06 C ATOM 756 O PHE A 97 14.230 -5.594 -8.714 1.00 44.58 O ATOM 757 CB PHE A 97 15.366 -4.516 -6.336 1.00 49.21 C ATOM 758 CG PHE A 97 15.597 -3.513 -5.250 1.00 39.60 C ATOM 759 CD1 PHE A 97 16.244 -3.873 -4.082 1.00 33.80 C ATOM 760 CD2 PHE A 97 15.136 -2.214 -5.387 1.00 39.22 C ATOM 761 CE1 PHE A 97 16.445 -2.948 -3.080 1.00 37.90 C ATOM 762 CE2 PHE A 97 15.332 -1.289 -4.386 1.00 40.30 C ATOM 763 CZ PHE A 97 15.987 -1.656 -3.233 1.00 38.21 C ATOM 764 H PHE A 97 14.189 -6.190 -4.657 1.00 0.00 H ATOM 765 N ARG A 98 13.053 -7.046 -7.451 1.00 51.51 N ATOM 766 CA ARG A 98 12.892 -7.978 -8.563 1.00 48.14 C ATOM 767 C ARG A 98 12.064 -7.372 -9.690 1.00 56.29 C ATOM 768 O ARG A 98 12.372 -7.581 -10.870 1.00 55.69 O ATOM 769 CB ARG A 98 12.260 -9.283 -8.080 1.00 43.80 C ATOM 770 CG ARG A 98 12.186 -10.357 -9.154 1.00 61.20 C ATOM 771 CD ARG A 98 11.351 -11.544 -8.711 1.00 75.78 C ATOM 772 NE ARG A 98 10.039 -11.128 -8.226 1.00 85.99 N ATOM 773 CZ ARG A 98 9.612 -11.312 -6.981 1.00 93.06 C ATOM 774 NH1 ARG A 98 8.403 -10.898 -6.624 1.00 99.03 N ATOM 775 NH2 ARG A 98 10.388 -11.926 -6.097 1.00 86.98 N ATOM 776 HE ARG A 98 9.398 -10.658 -8.897 1.00 0.00 H ATOM 777 HH12 ARG A 98 8.071 -11.043 -5.649 1.00 0.00 H ATOM 778 HH11 ARG A 98 7.788 -10.429 -7.319 1.00 0.00 H ATOM 779 HH22 ARG A 98 10.054 -12.070 -5.123 1.00 0.00 H ATOM 780 HH21 ARG A 98 11.331 -12.263 -6.378 1.00 0.00 H ATOM 781 H ARG A 98 12.629 -7.262 -6.526 1.00 0.00 H ATOM 782 N ASP A 99 11.006 -6.629 -9.357 1.00 63.18 N ATOM 783 CA ASP A 99 10.157 -6.002 -10.364 1.00 65.18 C ATOM 784 C ASP A 99 10.648 -4.618 -10.766 1.00 66.10 C ATOM 785 O ASP A 99 9.858 -3.807 -11.267 1.00 61.68 O ATOM 786 CB ASP A 99 8.710 -5.914 -9.872 1.00 64.18 C ATOM 787 CG ASP A 99 7.977 -7.231 -9.985 1.00 82.99 C ATOM 788 OD1 ASP A 99 8.421 -8.091 -10.773 1.00 91.11 O ATOM 789 OD2 ASP A 99 6.954 -7.405 -9.292 1.00 92.83 O ATOM 790 H ASP A 99 10.781 -6.493 -8.351 1.00 0.00 H ATOM 791 N GLY A 100 11.927 -4.335 -10.564 1.00 59.28 N ATOM 792 CA GLY A 100 12.486 -3.036 -10.860 1.00 55.01 C ATOM 793 C GLY A 100 12.708 -2.215 -9.603 1.00 55.50 C ATOM 794 O GLY A 100 12.300 -2.574 -8.494 1.00 51.50 O ATOM 795 H GLY A 100 12.550 -5.074 -10.179 1.00 0.00 H ATOM 796 N VAL A 101 13.368 -1.079 -9.802 1.00 48.90 N ATOM 797 CA VAL A 101 13.716 -0.154 -8.734 1.00 48.90 C ATOM 798 C VAL A 101 12.807 1.063 -8.829 1.00 53.55 C ATOM 799 O VAL A 101 12.515 1.545 -9.931 1.00 47.81 O ATOM 800 CB VAL A 101 15.199 0.258 -8.828 1.00 38.92 C ATOM 801 CG1 VAL A 101 15.576 1.189 -7.688 1.00 37.78 C ATOM 802 CG2 VAL A 101 16.092 -0.974 -8.865 1.00 45.64 C ATOM 803 H VAL A 101 13.651 -0.838 -10.773 1.00 0.00 H ATOM 804 N ASN A 102 12.344 1.541 -7.673 1.00 45.41 N ATOM 805 CA ASN A 102 11.709 2.849 -7.560 1.00 45.18 C ATOM 806 C ASN A 102 11.991 3.388 -6.166 1.00 43.25 C ATOM 807 O ASN A 102 12.432 2.653 -5.283 1.00 37.62 O ATOM 808 CB ASN A 102 10.199 2.791 -7.834 1.00 41.85 C ATOM 809 CG ASN A 102 9.492 1.772 -6.974 1.00 55.60 C ATOM 810 OD1 ASN A 102 9.367 1.947 -5.761 1.00 52.48 O ATOM 811 ND2 ASN A 102 9.014 0.702 -7.598 1.00 61.80 N ATOM 812 HD22 ASN A 102 9.144 0.597 -8.625 1.00 0.00 H ATOM 813 HD21 ASN A 102 8.510 -0.032 -7.060 1.00 0.00 H ATOM 814 H ASN A 102 12.440 0.957 -6.818 1.00 0.00 H ATOM 815 N TRP A 103 11.749 4.692 -5.979 1.00 36.09 N ATOM 816 CA TRP A 103 12.062 5.319 -4.696 1.00 35.97 C ATOM 817 C TRP A 103 11.279 4.686 -3.559 1.00 45.50 C ATOM 818 O TRP A 103 11.790 4.582 -2.440 1.00 46.60 O ATOM 819 CB TRP A 103 11.791 6.825 -4.743 1.00 33.70 C ATOM 820 CG TRP A 103 12.806 7.602 -5.534 1.00 32.63 C ATOM 821 CD1 TRP A 103 12.580 8.344 -6.659 1.00 22.35 C ATOM 822 CD2 TRP A 103 14.208 7.706 -5.259 1.00 24.72 C ATOM 823 NE1 TRP A 103 13.758 8.906 -7.097 1.00 24.26 N ATOM 824 CE2 TRP A 103 14.771 8.525 -6.257 1.00 26.42 C ATOM 825 CE3 TRP A 103 15.042 7.183 -4.266 1.00 29.67 C ATOM 826 CZ2 TRP A 103 16.129 8.831 -6.291 1.00 22.25 C ATOM 827 CZ3 TRP A 103 16.388 7.490 -4.301 1.00 32.37 C ATOM 828 CH2 TRP A 103 16.918 8.310 -5.304 1.00 34.34 C ATOM 829 HE1 TRP A 103 13.862 9.520 -7.930 1.00 0.00 H ATOM 830 H TRP A 103 11.338 5.259 -6.748 1.00 0.00 H ATOM 831 N GLY A 104 10.049 4.246 -3.823 1.00 55.49 N ATOM 832 CA GLY A 104 9.279 3.576 -2.790 1.00 45.25 C ATOM 833 C GLY A 104 9.896 2.268 -2.338 1.00 34.12 C ATOM 834 O GLY A 104 9.729 1.866 -1.185 1.00 41.07 O ATOM 835 H GLY A 104 9.640 4.383 -4.770 1.00 0.00 H ATOM 836 N ARG A 105 10.608 1.581 -3.236 1.00 48.07 N ATOM 837 CA ARG A 105 11.297 0.350 -2.864 1.00 38.84 C ATOM 838 C ARG A 105 12.626 0.636 -2.181 1.00 28.68 C ATOM 839 O ARG A 105 13.028 -0.105 -1.279 1.00 25.71 O ATOM 840 CB ARG A 105 11.510 -0.528 -4.098 1.00 37.82 C ATOM 841 CG ARG A 105 10.246 -1.229 -4.591 1.00 52.27 C ATOM 842 CD ARG A 105 9.879 -2.401 -3.690 1.00 63.58 C ATOM 843 NE ARG A 105 8.590 -3.002 -4.029 1.00 64.32 N ATOM 844 CZ ARG A 105 8.383 -3.817 -5.061 1.00 72.85 C ATOM 845 NH1 ARG A 105 9.376 -4.127 -5.883 1.00 81.58 N ATOM 846 NH2 ARG A 105 7.175 -4.317 -5.277 1.00 68.29 N ATOM 847 HE ARG A 105 7.777 -2.777 -3.421 1.00 0.00 H ATOM 848 HH12 ARG A 105 9.206 -4.764 -6.687 1.00 0.00 H ATOM 849 HH11 ARG A 105 10.325 -3.733 -5.724 1.00 0.00 H ATOM 850 HH22 ARG A 105 7.012 -4.954 -6.083 1.00 0.00 H ATOM 851 HH21 ARG A 105 6.390 -4.073 -4.641 1.00 0.00 H ATOM 852 H ARG A 105 10.672 1.929 -4.214 1.00 0.00 H ATOM 853 N ILE A 106 13.320 1.700 -2.594 1.00 28.88 N ATOM 854 CA ILE A 106 14.514 2.124 -1.873 1.00 26.39 C ATOM 855 C ILE A 106 14.155 2.542 -0.451 1.00 22.74 C ATOM 856 O ILE A 106 14.916 2.283 0.491 1.00 29.94 O ATOM 857 CB ILE A 106 15.227 3.249 -2.647 1.00 35.91 C ATOM 858 CG1 ILE A 106 15.673 2.748 -4.022 1.00 22.00 C ATOM 859 CG2 ILE A 106 16.426 3.747 -1.875 1.00 49.47 C ATOM 860 CD1 ILE A 106 16.192 3.844 -4.946 1.00 23.00 C ATOM 861 H ILE A 106 13.007 2.228 -3.434 1.00 0.00 H ATOM 862 N VAL A 107 12.986 3.162 -0.261 1.00 31.76 N ATOM 863 CA VAL A 107 12.533 3.484 1.091 1.00 33.51 C ATOM 864 C VAL A 107 12.308 2.209 1.895 1.00 37.17 C ATOM 865 O VAL A 107 12.719 2.107 3.059 1.00 40.45 O ATOM 866 CB VAL A 107 11.262 4.354 1.044 1.00 32.58 C ATOM 867 CG1 VAL A 107 10.703 4.562 2.444 1.00 26.60 C ATOM 868 CG2 VAL A 107 11.555 5.695 0.403 1.00 33.61 C ATOM 869 H VAL A 107 12.396 3.416 -1.079 1.00 0.00 H ATOM 870 N ALA A 108 11.655 1.214 1.292 1.00 44.46 N ATOM 871 CA ALA A 108 11.493 -0.066 1.975 1.00 34.99 C ATOM 872 C ALA A 108 12.829 -0.779 2.142 1.00 36.03 C ATOM 873 O ALA A 108 13.003 -1.554 3.090 1.00 28.35 O ATOM 874 CB ALA A 108 10.506 -0.953 1.216 1.00 40.01 C ATOM 875 H ALA A 108 11.263 1.350 0.338 1.00 0.00 H ATOM 876 N PHE A 109 13.781 -0.534 1.235 1.00 34.67 N ATOM 877 CA PHE A 109 15.120 -1.091 1.402 1.00 24.40 C ATOM 878 C PHE A 109 15.766 -0.573 2.677 1.00 26.08 C ATOM 879 O PHE A 109 16.363 -1.343 3.435 1.00 31.95 O ATOM 880 CB PHE A 109 15.976 -0.754 0.181 1.00 31.50 C ATOM 881 CG PHE A 109 17.445 -1.036 0.353 1.00 24.40 C ATOM 882 CD1 PHE A 109 18.339 -0.003 0.574 1.00 24.98 C ATOM 883 CD2 PHE A 109 17.935 -2.325 0.258 1.00 33.00 C ATOM 884 CE1 PHE A 109 19.691 -0.248 0.715 1.00 20.90 C ATOM 885 CE2 PHE A 109 19.289 -2.579 0.406 1.00 25.11 C ATOM 886 CZ PHE A 109 20.168 -1.538 0.631 1.00 27.64 C ATOM 887 H PHE A 109 13.566 0.057 0.406 1.00 0.00 H ATOM 888 N PHE A 110 15.638 0.733 2.942 1.00 25.55 N ATOM 889 CA PHE A 110 16.245 1.308 4.138 1.00 25.80 C ATOM 890 C PHE A 110 15.518 0.870 5.402 1.00 23.20 C ATOM 891 O PHE A 110 16.154 0.606 6.429 1.00 26.64 O ATOM 892 CB PHE A 110 16.278 2.834 4.026 1.00 30.42 C ATOM 893 CG PHE A 110 17.495 3.349 3.321 1.00 18.66 C ATOM 894 CD1 PHE A 110 18.642 3.661 4.035 1.00 30.96 C ATOM 895 CD2 PHE A 110 17.508 3.488 1.945 1.00 24.00 C ATOM 896 CE1 PHE A 110 19.774 4.119 3.385 1.00 26.79 C ATOM 897 CE2 PHE A 110 18.635 3.944 1.288 1.00 20.14 C ATOM 898 CZ PHE A 110 19.769 4.260 2.007 1.00 28.58 C ATOM 899 H PHE A 110 15.102 1.342 2.291 1.00 0.00 H ATOM 900 N GLU A 111 14.187 0.777 5.350 1.00 27.79 N ATOM 901 CA GLU A 111 13.444 0.358 6.535 1.00 28.11 C ATOM 902 C GLU A 111 13.741 -1.093 6.899 1.00 37.31 C ATOM 903 O GLU A 111 13.814 -1.440 8.083 1.00 40.39 O ATOM 904 CB GLU A 111 11.945 0.570 6.318 1.00 24.56 C ATOM 905 CG GLU A 111 11.076 0.241 7.533 1.00 39.30 C ATOM 906 CD GLU A 111 11.490 0.964 8.814 1.00 67.89 C ATOM 907 OE1 GLU A 111 12.121 2.040 8.737 1.00 80.49 O ATOM 908 OE2 GLU A 111 11.174 0.450 9.911 1.00 77.59 O ATOM 909 H GLU A 111 13.682 1.002 4.469 1.00 0.00 H ATOM 910 N PHE A 112 13.914 -1.960 5.905 1.00 42.19 N ATOM 911 CA PHE A 112 14.318 -3.323 6.228 1.00 36.76 C ATOM 912 C PHE A 112 15.725 -3.345 6.802 1.00 33.98 C ATOM 913 O PHE A 112 16.014 -4.117 7.720 1.00 29.11 O ATOM 914 CB PHE A 112 14.238 -4.230 5.003 1.00 25.81 C ATOM 915 CG PHE A 112 14.593 -5.660 5.308 1.00 28.09 C ATOM 916 CD1 PHE A 112 13.688 -6.481 5.957 1.00 22.31 C ATOM 917 CD2 PHE A 112 15.842 -6.169 4.979 1.00 24.04 C ATOM 918 CE1 PHE A 112 14.014 -7.799 6.258 1.00 39.45 C ATOM 919 CE2 PHE A 112 16.170 -7.478 5.264 1.00 30.39 C ATOM 920 CZ PHE A 112 15.259 -8.295 5.910 1.00 36.88 C ATOM 921 H PHE A 112 13.764 -1.671 4.917 1.00 0.00 H ATOM 922 N GLY A 113 16.615 -2.508 6.269 1.00 36.36 N ATOM 923 CA GLY A 113 17.948 -2.418 6.831 1.00 29.45 C ATOM 924 C GLY A 113 17.932 -1.972 8.276 1.00 42.15 C ATOM 925 O GLY A 113 18.756 -2.417 9.077 1.00 31.27 O ATOM 926 H GLY A 113 16.353 -1.921 5.452 1.00 0.00 H ATOM 927 N GLY A 114 16.985 -1.111 8.634 1.00 38.60 N ATOM 928 CA GLY A 114 16.884 -0.613 9.989 1.00 37.36 C ATOM 929 C GLY A 114 16.194 -1.582 10.922 1.00 36.83 C ATOM 930 O GLY A 114 16.584 -1.712 12.087 1.00 40.83 O ATOM 931 H GLY A 114 16.299 -0.787 7.922 1.00 0.00 H ATOM 932 N VAL A 115 15.161 -2.268 10.427 1.00 27.13 N ATOM 933 CA VAL A 115 14.460 -3.247 11.256 1.00 33.93 C ATOM 934 C VAL A 115 15.400 -4.383 11.653 1.00 41.32 C ATOM 935 O VAL A 115 15.339 -4.895 12.778 1.00 44.39 O ATOM 936 CB VAL A 115 13.204 -3.759 10.529 1.00 37.71 C ATOM 937 CG1 VAL A 115 12.663 -5.019 11.195 1.00 32.07 C ATOM 938 CG2 VAL A 115 12.138 -2.674 10.508 1.00 41.71 C ATOM 939 H VAL A 115 14.854 -2.105 9.447 1.00 0.00 H ATOM 940 N MET A 116 16.308 -4.769 10.753 1.00 41.71 N ATOM 941 CA MET A 116 17.303 -5.777 11.105 1.00 36.06 C ATOM 942 C MET A 116 18.339 -5.244 12.093 1.00 33.47 C ATOM 943 O MET A 116 18.865 -6.015 12.900 1.00 30.86 O ATOM 944 CB MET A 116 17.989 -6.297 9.847 1.00 26.78 C ATOM 945 CG MET A 116 17.187 -7.380 9.144 1.00 47.88 C ATOM 946 SD MET A 116 18.146 -8.200 7.868 1.00 48.85 S ATOM 947 CE MET A 116 19.120 -9.334 8.827 1.00 36.04 C ATOM 948 H MET A 116 16.306 -4.351 9.801 1.00 0.00 H ATOM 949 N CYS A 117 18.654 -3.943 12.042 1.00 27.80 N ATOM 950 CA CYS A 117 19.573 -3.367 13.022 1.00 31.32 C ATOM 951 C CYS A 117 18.922 -3.267 14.392 1.00 33.64 C ATOM 952 O CYS A 117 19.549 -3.594 15.407 1.00 35.90 O ATOM 953 CB CYS A 117 20.051 -1.990 12.563 1.00 25.95 C ATOM 954 SG CYS A 117 21.233 -2.042 11.200 1.00 35.85 S ATOM 955 H CYS A 117 18.243 -3.340 11.301 1.00 0.00 H ATOM 956 N VAL A 118 17.669 -2.808 14.440 1.00 28.87 N ATOM 957 CA VAL A 118 16.947 -2.724 15.708 1.00 37.97 C ATOM 958 C VAL A 118 16.724 -4.116 16.284 1.00 39.76 C ATOM 959 O VAL A 118 16.826 -4.329 17.501 1.00 45.16 O ATOM 960 CB VAL A 118 15.620 -1.969 15.508 1.00 27.08 C ATOM 961 CG1 VAL A 118 14.731 -2.096 16.730 1.00 30.81 C ATOM 962 CG2 VAL A 118 15.887 -0.507 15.177 1.00 37.76 C ATOM 963 H VAL A 118 17.200 -2.506 13.562 1.00 0.00 H ATOM 964 N GLU A 119 16.428 -5.088 15.418 1.00 37.32 N ATOM 965 CA GLU A 119 16.237 -6.466 15.862 1.00 30.02 C ATOM 966 C GLU A 119 17.537 -7.065 16.393 1.00 24.26 C ATOM 967 O GLU A 119 17.525 -7.782 17.398 1.00 25.04 O ATOM 968 CB GLU A 119 15.678 -7.307 14.710 1.00 45.14 C ATOM 969 CG GLU A 119 15.355 -8.761 15.067 1.00 70.76 C ATOM 970 CD GLU A 119 14.050 -8.912 15.836 1.00 86.29 C ATOM 971 OE1 GLU A 119 13.331 -7.901 15.995 1.00 92.51 O ATOM 972 OE2 GLU A 119 13.740 -10.043 16.278 1.00 84.15 O ATOM 973 H GLU A 119 16.332 -4.859 14.408 1.00 0.00 H ATOM 974 N SER A 120 18.668 -6.781 15.736 1.00 36.13 N ATOM 975 CA SER A 120 19.958 -7.252 16.240 1.00 32.68 C ATOM 976 C SER A 120 20.213 -6.750 17.655 1.00 47.62 C ATOM 977 O SER A 120 20.682 -7.505 18.515 1.00 44.77 O ATOM 978 CB SER A 120 21.089 -6.801 15.313 1.00 32.02 C ATOM 979 OG SER A 120 20.936 -7.338 14.009 1.00 45.04 O ATOM 980 HG SER A 120 20.075 -7.033 13.627 1.00 0.00 H ATOM 981 H SER A 120 18.629 -6.221 14.860 1.00 0.00 H ATOM 982 N VAL A 121 19.910 -5.474 17.911 1.00 47.34 N ATOM 983 CA VAL A 121 20.132 -4.886 19.229 1.00 31.47 C ATOM 984 C VAL A 121 19.193 -5.499 20.259 1.00 30.10 C ATOM 985 O VAL A 121 19.605 -5.819 21.380 1.00 36.76 O ATOM 986 CB VAL A 121 19.974 -3.355 19.149 1.00 34.81 C ATOM 987 CG1 VAL A 121 19.594 -2.773 20.496 1.00 39.47 C ATOM 988 CG2 VAL A 121 21.258 -2.723 18.638 1.00 29.96 C ATOM 989 H VAL A 121 19.507 -4.886 17.154 1.00 0.00 H ATOM 990 N ASN A 122 17.916 -5.675 19.901 1.00 26.80 N ATOM 991 CA ASN A 122 16.956 -6.253 20.838 1.00 35.22 C ATOM 992 C ASN A 122 17.347 -7.662 21.254 1.00 40.57 C ATOM 993 O ASN A 122 17.032 -8.084 22.370 1.00 45.47 O ATOM 994 CB ASN A 122 15.559 -6.272 20.223 1.00 53.86 C ATOM 995 CG ASN A 122 14.909 -4.913 20.213 1.00 78.52 C ATOM 996 OD1 ASN A 122 15.494 -3.928 20.666 1.00 91.46 O ATOM 997 ND2 ASN A 122 13.691 -4.845 19.687 1.00 80.35 N ATOM 998 HD22 ASN A 122 13.236 -5.704 19.316 1.00 0.00 H ATOM 999 HD21 ASN A 122 13.193 -3.933 19.646 1.00 0.00 H ATOM 1000 H ASN A 122 17.604 -5.398 18.948 1.00 0.00 H ATOM 1001 N ARG A 123 18.013 -8.411 20.374 1.00 36.56 N ATOM 1002 CA ARG A 123 18.391 -9.789 20.660 1.00 43.83 C ATOM 1003 C ARG A 123 19.845 -9.919 21.105 1.00 47.92 C ATOM 1004 O ARG A 123 20.406 -11.018 21.046 1.00 32.14 O ATOM 1005 CB ARG A 123 18.128 -10.677 19.441 1.00 34.36 C ATOM 1006 CG ARG A 123 16.658 -10.774 19.074 1.00 41.43 C ATOM 1007 CD ARG A 123 16.473 -11.033 17.586 1.00 66.29 C ATOM 1008 NE ARG A 123 16.795 -12.407 17.212 1.00 83.61 N ATOM 1009 CZ ARG A 123 15.905 -13.393 17.158 1.00 87.69 C ATOM 1010 NH1 ARG A 123 14.633 -13.160 17.453 1.00 90.92 N ATOM 1011 NH2 ARG A 123 16.287 -14.613 16.805 1.00 89.25 N ATOM 1012 HE ARG A 123 17.783 -12.628 16.973 1.00 0.00 H ATOM 1013 HH12 ARG A 123 13.939 -13.933 17.410 1.00 0.00 H ATOM 1014 HH11 ARG A 123 14.330 -12.204 17.727 1.00 0.00 H ATOM 1015 HH22 ARG A 123 15.591 -15.384 16.763 1.00 0.00 H ATOM 1016 HH21 ARG A 123 17.283 -14.799 16.570 1.00 0.00 H ATOM 1017 H ARG A 123 18.271 -7.999 19.455 1.00 0.00 H ATOM 1018 N GLU A 124 20.466 -8.821 21.543 1.00 27.78 N ATOM 1019 CA GLU A 124 21.826 -8.856 22.083 1.00 43.66 C ATOM 1020 C GLU A 124 22.821 -9.421 21.070 1.00 36.70 C ATOM 1021 O GLU A 124 23.728 -10.182 21.417 1.00 47.66 O ATOM 1022 CB GLU A 124 21.870 -9.640 23.397 1.00 39.71 C ATOM 1023 CG GLU A 124 20.908 -9.102 24.441 1.00 48.42 C ATOM 1024 CD GLU A 124 20.848 -9.956 25.693 1.00 74.93 C ATOM 1025 OE1 GLU A 124 21.622 -10.933 25.796 1.00 85.64 O ATOM 1026 OE2 GLU A 124 20.019 -9.648 26.576 1.00 85.14 O ATOM 1027 H GLU A 124 19.966 -7.910 21.499 1.00 0.00 H ATOM 1028 N MET A 125 22.635 -9.053 19.809 1.00 27.95 N ATOM 1029 CA MET A 125 23.534 -9.381 18.709 1.00 40.36 C ATOM 1030 C MET A 125 23.983 -8.117 17.999 1.00 39.43 C ATOM 1031 O MET A 125 24.065 -8.068 16.774 1.00 31.17 O ATOM 1032 CB MET A 125 22.867 -10.325 17.716 1.00 36.96 C ATOM 1033 CG MET A 125 22.428 -11.621 18.339 1.00 50.47 C ATOM 1034 SD MET A 125 21.271 -12.492 17.290 1.00 44.44 S ATOM 1035 CE MET A 125 20.800 -13.809 18.406 1.00 32.50 C ATOM 1036 H MET A 125 21.788 -8.491 19.590 1.00 0.00 H ATOM 1037 N SER A 126 24.276 -7.075 18.775 1.00 28.25 N ATOM 1038 CA SER A 126 24.586 -5.779 18.185 1.00 28.08 C ATOM 1039 C SER A 126 25.794 -5.767 17.251 1.00 25.30 C ATOM 1040 O SER A 126 25.855 -4.860 16.404 1.00 26.97 O ATOM 1041 CB SER A 126 24.781 -4.755 19.308 1.00 43.72 C ATOM 1042 OG SER A 126 23.584 -4.626 20.049 1.00 53.71 O ATOM 1043 HG SER A 126 23.715 -3.964 20.773 1.00 0.00 H ATOM 1044 H SER A 126 24.284 -7.187 19.809 1.00 0.00 H ATOM 1045 N PRO A 127 26.790 -6.672 17.360 1.00 27.70 N ATOM 1046 CA PRO A 127 27.864 -6.676 16.356 1.00 29.80 C ATOM 1047 C PRO A 127 27.387 -6.781 14.914 1.00 41.92 C ATOM 1048 O PRO A 127 28.100 -6.351 14.003 1.00 44.05 O ATOM 1049 CB PRO A 127 28.692 -7.897 16.761 1.00 26.72 C ATOM 1050 CG PRO A 127 28.602 -7.874 18.239 1.00 27.62 C ATOM 1051 CD PRO A 127 27.201 -7.414 18.567 1.00 27.48 C ATOM 1052 N LEU A 128 26.192 -7.341 14.690 1.00 40.82 N ATOM 1053 CA LEU A 128 25.685 -7.493 13.328 1.00 37.64 C ATOM 1054 C LEU A 128 25.295 -6.166 12.687 1.00 37.25 C ATOM 1055 O LEU A 128 25.164 -6.108 11.459 1.00 43.31 O ATOM 1056 CB LEU A 128 24.483 -8.437 13.308 1.00 32.68 C ATOM 1057 CG LEU A 128 24.722 -9.873 13.772 1.00 44.00 C ATOM 1058 CD1 LEU A 128 23.437 -10.687 13.683 1.00 45.79 C ATOM 1059 CD2 LEU A 128 25.828 -10.521 12.956 1.00 53.61 C ATOM 1060 H LEU A 128 25.619 -7.671 15.493 1.00 0.00 H ATOM 1061 N VAL A 129 25.093 -5.109 13.480 1.00 42.97 N ATOM 1062 CA VAL A 129 24.753 -3.803 12.909 1.00 27.70 C ATOM 1063 C VAL A 129 25.793 -3.385 11.880 1.00 23.47 C ATOM 1064 O VAL A 129 25.456 -2.913 10.786 1.00 22.80 O ATOM 1065 CB VAL A 129 24.605 -2.753 14.025 1.00 31.01 C ATOM 1066 CG1 VAL A 129 24.502 -1.342 13.437 1.00 30.67 C ATOM 1067 CG2 VAL A 129 23.397 -3.075 14.897 1.00 26.76 C ATOM 1068 H VAL A 129 25.178 -5.214 14.511 1.00 0.00 H ATOM 1069 N ASP A 130 27.074 -3.586 12.196 1.00 30.17 N ATOM 1070 CA ASP A 130 28.134 -3.212 11.266 1.00 35.93 C ATOM 1071 C ASP A 130 28.109 -4.062 9.999 1.00 48.85 C ATOM 1072 O ASP A 130 28.453 -3.567 8.919 1.00 39.59 O ATOM 1073 CB ASP A 130 29.489 -3.320 11.963 1.00 47.09 C ATOM 1074 CG ASP A 130 29.536 -2.550 13.287 1.00 53.95 C ATOM 1075 OD1 ASP A 130 29.294 -1.316 13.289 1.00 44.01 O ATOM 1076 OD2 ASP A 130 29.813 -3.186 14.329 1.00 59.49 O ATOM 1077 H ASP A 130 27.318 -4.013 13.112 1.00 0.00 H ATOM 1078 N ASN A 131 27.702 -5.333 10.099 1.00 30.91 N ATOM 1079 CA ASN A 131 27.605 -6.161 8.899 1.00 41.31 C ATOM 1080 C ASN A 131 26.425 -5.747 8.031 1.00 33.66 C ATOM 1081 O ASN A 131 26.527 -5.731 6.798 1.00 38.45 O ATOM 1082 CB ASN A 131 27.492 -7.634 9.285 1.00 52.83 C ATOM 1083 CG ASN A 131 28.672 -8.110 10.100 1.00 55.21 C ATOM 1084 OD1 ASN A 131 28.751 -7.857 11.304 1.00 44.71 O ATOM 1085 ND2 ASN A 131 29.605 -8.797 9.446 1.00 59.12 N ATOM 1086 HD22 ASN A 131 29.495 -8.986 8.429 1.00 0.00 H ATOM 1087 HD21 ASN A 131 30.445 -9.145 9.951 1.00 0.00 H ATOM 1088 H ASN A 131 27.456 -5.730 11.028 1.00 0.00 H ATOM 1089 N ILE A 132 25.294 -5.414 8.655 1.00 29.56 N ATOM 1090 CA ILE A 132 24.124 -4.980 7.896 1.00 37.33 C ATOM 1091 C ILE A 132 24.418 -3.679 7.155 1.00 39.55 C ATOM 1092 O ILE A 132 24.062 -3.520 5.980 1.00 27.90 O ATOM 1093 CB ILE A 132 22.912 -4.849 8.837 1.00 33.64 C ATOM 1094 CG1 ILE A 132 22.441 -6.234 9.283 1.00 33.43 C ATOM 1095 CG2 ILE A 132 21.784 -4.096 8.162 1.00 33.75 C ATOM 1096 CD1 ILE A 132 21.615 -6.216 10.553 1.00 38.73 C ATOM 1097 H ILE A 132 25.245 -5.464 9.693 1.00 0.00 H ATOM 1098 N ALA A 133 25.089 -2.735 7.822 1.00 24.43 N ATOM 1099 CA ALA A 133 25.441 -1.477 7.169 1.00 22.92 C ATOM 1100 C ALA A 133 26.406 -1.696 6.009 1.00 30.44 C ATOM 1101 O ALA A 133 26.311 -1.006 4.987 1.00 29.57 O ATOM 1102 CB ALA A 133 26.035 -0.503 8.189 1.00 33.09 C ATOM 1103 H ALA A 133 25.362 -2.897 8.812 1.00 0.00 H ATOM 1104 N LEU A 134 27.326 -2.658 6.133 1.00 30.43 N ATOM 1105 CA LEU A 134 28.176 -2.996 4.993 1.00 39.09 C ATOM 1106 C LEU A 134 27.359 -3.556 3.832 1.00 30.04 C ATOM 1107 O LEU A 134 27.585 -3.185 2.674 1.00 36.30 O ATOM 1108 CB LEU A 134 29.255 -3.993 5.407 1.00 37.76 C ATOM 1109 CG LEU A 134 30.068 -4.582 4.247 1.00 42.71 C ATOM 1110 CD1 LEU A 134 31.093 -3.585 3.755 1.00 47.18 C ATOM 1111 CD2 LEU A 134 30.741 -5.882 4.649 1.00 46.64 C ATOM 1112 H LEU A 134 27.436 -3.163 7.035 1.00 0.00 H ATOM 1113 N TRP A 135 26.415 -4.460 4.115 1.00 33.80 N ATOM 1114 CA TRP A 135 25.624 -5.062 3.044 1.00 35.44 C ATOM 1115 C TRP A 135 24.748 -4.022 2.357 1.00 38.73 C ATOM 1116 O TRP A 135 24.509 -4.101 1.148 1.00 26.80 O ATOM 1117 CB TRP A 135 24.758 -6.197 3.592 1.00 25.15 C ATOM 1118 CG TRP A 135 25.535 -7.262 4.290 1.00 32.73 C ATOM 1119 CD1 TRP A 135 26.814 -7.655 4.018 1.00 38.25 C ATOM 1120 CD2 TRP A 135 25.096 -8.062 5.397 1.00 32.13 C ATOM 1121 NE1 TRP A 135 27.196 -8.651 4.887 1.00 39.52 N ATOM 1122 CE2 TRP A 135 26.159 -8.920 5.741 1.00 30.19 C ATOM 1123 CE3 TRP A 135 23.905 -8.138 6.127 1.00 31.05 C ATOM 1124 CZ2 TRP A 135 26.067 -9.840 6.780 1.00 28.90 C ATOM 1125 CZ3 TRP A 135 23.815 -9.049 7.155 1.00 27.03 C ATOM 1126 CH2 TRP A 135 24.891 -9.886 7.477 1.00 30.60 C ATOM 1127 HE1 TRP A 135 28.122 -9.123 4.894 1.00 0.00 H ATOM 1128 H TRP A 135 26.243 -4.736 5.103 1.00 0.00 H ATOM 1129 N MET A 136 24.251 -3.047 3.115 1.00 27.65 N ATOM 1130 CA MET A 136 23.447 -1.988 2.525 1.00 32.76 C ATOM 1131 C MET A 136 24.300 -1.077 1.656 1.00 35.85 C ATOM 1132 O MET A 136 23.876 -0.667 0.573 1.00 36.15 O ATOM 1133 CB MET A 136 22.759 -1.188 3.628 1.00 32.07 C ATOM 1134 CG MET A 136 21.692 -1.965 4.361 1.00 33.34 C ATOM 1135 SD MET A 136 21.061 -1.064 5.785 1.00 33.19 S ATOM 1136 CE MET A 136 20.452 0.421 4.987 1.00 42.35 C ATOM 1137 H MET A 136 24.439 -3.042 4.138 1.00 0.00 H ATOM 1138 N THR A 137 25.507 -0.753 2.117 1.00 36.08 N ATOM 1139 CA THR A 137 26.377 0.130 1.352 1.00 32.62 C ATOM 1140 C THR A 137 26.829 -0.524 0.055 1.00 36.41 C ATOM 1141 O THR A 137 26.852 0.122 -0.997 1.00 41.77 O ATOM 1142 CB THR A 137 27.578 0.525 2.201 1.00 29.22 C ATOM 1143 OG1 THR A 137 27.117 1.103 3.425 1.00 33.48 O ATOM 1144 CG2 THR A 137 28.438 1.525 1.471 1.00 42.32 C ATOM 1145 HG1 THR A 137 26.566 0.442 3.914 1.00 0.00 H ATOM 1146 H THR A 137 25.830 -1.133 3.029 1.00 0.00 H ATOM 1147 N GLU A 138 27.199 -1.805 0.111 1.00 33.85 N ATOM 1148 CA GLU A 138 27.641 -2.499 -1.092 1.00 33.96 C ATOM 1149 C GLU A 138 26.503 -2.648 -2.088 1.00 28.98 C ATOM 1150 O GLU A 138 26.709 -2.524 -3.300 1.00 41.39 O ATOM 1151 CB GLU A 138 28.211 -3.872 -0.728 1.00 44.59 C ATOM 1152 CG GLU A 138 29.540 -3.833 0.006 1.00 58.60 C ATOM 1153 CD GLU A 138 30.019 -5.217 0.440 1.00 81.66 C ATOM 1154 OE1 GLU A 138 29.185 -6.147 0.522 1.00 84.36 O ATOM 1155 OE2 GLU A 138 31.233 -5.375 0.698 1.00 87.05 O ATOM 1156 H GLU A 138 27.172 -2.311 1.019 1.00 0.00 H ATOM 1157 N TYR A 139 25.291 -2.915 -1.600 1.00 30.22 N ATOM 1158 CA TYR A 139 24.167 -3.072 -2.514 1.00 18.62 C ATOM 1159 C TYR A 139 23.799 -1.746 -3.168 1.00 35.61 C ATOM 1160 O TYR A 139 23.455 -1.710 -4.357 1.00 27.71 O ATOM 1161 CB TYR A 139 22.962 -3.668 -1.784 1.00 32.15 C ATOM 1162 CG TYR A 139 21.866 -4.067 -2.743 1.00 29.13 C ATOM 1163 CD1 TYR A 139 21.855 -5.329 -3.331 1.00 36.86 C ATOM 1164 CD2 TYR A 139 20.865 -3.171 -3.092 1.00 36.77 C ATOM 1165 CE1 TYR A 139 20.858 -5.693 -4.235 1.00 39.32 C ATOM 1166 CE2 TYR A 139 19.870 -3.519 -3.991 1.00 31.97 C ATOM 1167 CZ TYR A 139 19.868 -4.778 -4.559 1.00 47.40 C ATOM 1168 OH TYR A 139 18.869 -5.107 -5.450 1.00 51.27 O ATOM 1169 HH TYR A 139 19.004 -6.035 -5.767 1.00 0.00 H ATOM 1170 H TYR A 139 25.149 -3.011 -0.574 1.00 0.00 H ATOM 1171 N LEU A 140 23.859 -0.646 -2.412 1.00 27.02 N ATOM 1172 CA LEU A 140 23.589 0.658 -3.007 1.00 21.33 C ATOM 1173 C LEU A 140 24.610 0.989 -4.086 1.00 32.14 C ATOM 1174 O LEU A 140 24.249 1.470 -5.167 1.00 43.12 O ATOM 1175 CB LEU A 140 23.579 1.741 -1.931 1.00 25.87 C ATOM 1176 CG LEU A 140 22.296 1.868 -1.110 1.00 28.90 C ATOM 1177 CD1 LEU A 140 22.595 2.459 0.266 1.00 20.58 C ATOM 1178 CD2 LEU A 140 21.299 2.737 -1.851 1.00 19.63 C ATOM 1179 H LEU A 140 24.097 -0.719 -1.402 1.00 0.00 H ATOM 1180 N ASN A 141 25.889 0.714 -3.823 1.00 24.20 N ATOM 1181 CA ASN A 141 26.926 1.102 -4.772 1.00 32.13 C ATOM 1182 C ASN A 141 27.029 0.133 -5.943 1.00 47.11 C ATOM 1183 O ASN A 141 27.402 0.543 -7.048 1.00 49.43 O ATOM 1184 CB ASN A 141 28.270 1.222 -4.051 1.00 35.57 C ATOM 1185 CG ASN A 141 28.295 2.374 -3.060 1.00 51.13 C ATOM 1186 OD1 ASN A 141 27.766 3.450 -3.334 1.00 58.15 O ATOM 1187 ND2 ASN A 141 28.904 2.150 -1.900 1.00 49.80 N ATOM 1188 HD22 ASN A 141 29.338 1.224 -1.711 1.00 0.00 H ATOM 1189 HD21 ASN A 141 28.946 2.901 -1.181 1.00 0.00 H ATOM 1190 H ASN A 141 26.146 0.224 -2.943 1.00 0.00 H ATOM 1191 N ARG A 142 26.692 -1.138 -5.736 1.00 43.52 N ATOM 1192 CA ARG A 142 26.819 -2.135 -6.790 1.00 33.57 C ATOM 1193 C ARG A 142 25.540 -2.368 -7.575 1.00 37.08 C ATOM 1194 O ARG A 142 25.615 -2.756 -8.743 1.00 42.26 O ATOM 1195 CB ARG A 142 27.286 -3.475 -6.206 1.00 40.29 C ATOM 1196 CG ARG A 142 28.688 -3.443 -5.631 1.00 51.76 C ATOM 1197 CD ARG A 142 29.057 -4.790 -5.025 1.00 72.10 C ATOM 1198 NE ARG A 142 28.737 -5.892 -5.928 1.00 86.95 N ATOM 1199 CZ ARG A 142 29.526 -6.308 -6.913 1.00 92.25 C ATOM 1200 NH1 ARG A 142 30.692 -5.714 -7.130 1.00 93.54 N ATOM 1201 NH2 ARG A 142 29.148 -7.319 -7.684 1.00 94.92 N ATOM 1202 HE ARG A 142 27.831 -6.384 -5.791 1.00 0.00 H ATOM 1203 HH12 ARG A 142 31.307 -6.042 -7.902 1.00 0.00 H ATOM 1204 HH11 ARG A 142 30.991 -4.920 -6.528 1.00 0.00 H ATOM 1205 HH22 ARG A 142 29.766 -7.644 -8.455 1.00 0.00 H ATOM 1206 HH21 ARG A 142 28.234 -7.786 -7.518 1.00 0.00 H ATOM 1207 H ARG A 142 26.331 -1.425 -4.804 1.00 0.00 H ATOM 1208 N HIS A 143 24.367 -2.162 -6.974 1.00 36.18 N ATOM 1209 CA HIS A 143 23.122 -2.500 -7.647 1.00 33.36 C ATOM 1210 C HIS A 143 22.121 -1.362 -7.755 1.00 28.12 C ATOM 1211 O HIS A 143 21.210 -1.456 -8.583 1.00 36.25 O ATOM 1212 CB HIS A 143 22.431 -3.684 -6.950 1.00 41.84 C ATOM 1213 CG HIS A 143 23.201 -4.964 -7.030 1.00 46.71 C ATOM 1214 ND1 HIS A 143 22.907 -5.949 -7.947 1.00 40.62 N ATOM 1215 CD2 HIS A 143 24.249 -5.425 -6.306 1.00 48.04 C ATOM 1216 CE1 HIS A 143 23.746 -6.956 -7.793 1.00 38.87 C ATOM 1217 NE2 HIS A 143 24.568 -6.666 -6.799 1.00 51.81 N ATOM 1218 H HIS A 143 24.342 -1.757 -6.017 1.00 0.00 H ATOM 1219 N LEU A 144 22.242 -0.305 -6.956 1.00 22.22 N ATOM 1220 CA LEU A 144 21.316 0.813 -7.051 1.00 24.07 C ATOM 1221 C LEU A 144 21.959 2.086 -7.577 1.00 31.16 C ATOM 1222 O LEU A 144 21.247 3.068 -7.817 1.00 31.71 O ATOM 1223 CB LEU A 144 20.674 1.087 -5.684 1.00 29.07 C ATOM 1224 CG LEU A 144 19.762 -0.023 -5.151 1.00 29.47 C ATOM 1225 CD1 LEU A 144 19.407 0.183 -3.667 1.00 30.35 C ATOM 1226 CD2 LEU A 144 18.509 -0.097 -5.981 1.00 23.21 C ATOM 1227 H LEU A 144 23.009 -0.278 -6.254 1.00 0.00 H ATOM 1228 N HIS A 145 23.275 2.089 -7.789 1.00 30.76 N ATOM 1229 CA HIS A 145 23.964 3.327 -8.138 1.00 23.66 C ATOM 1230 C HIS A 145 23.552 3.834 -9.514 1.00 35.11 C ATOM 1231 O HIS A 145 23.377 5.044 -9.708 1.00 32.46 O ATOM 1232 CB HIS A 145 25.472 3.108 -8.076 1.00 32.79 C ATOM 1233 CG HIS A 145 26.268 4.335 -8.386 1.00 48.30 C ATOM 1234 ND1 HIS A 145 26.605 4.697 -9.672 1.00 50.73 N ATOM 1235 CD2 HIS A 145 26.792 5.285 -7.576 1.00 51.56 C ATOM 1236 CE1 HIS A 145 27.308 5.815 -9.642 1.00 48.39 C ATOM 1237 NE2 HIS A 145 27.435 6.193 -8.382 1.00 55.51 N ATOM 1238 H HIS A 145 23.814 1.204 -7.705 1.00 0.00 H ATOM 1239 N THR A 146 23.411 2.929 -10.485 1.00 29.65 N ATOM 1240 CA THR A 146 23.025 3.341 -11.829 1.00 18.99 C ATOM 1241 C THR A 146 21.630 3.951 -11.832 1.00 34.47 C ATOM 1242 O THR A 146 21.410 5.025 -12.407 1.00 32.50 O ATOM 1243 CB THR A 146 23.087 2.152 -12.795 1.00 20.95 C ATOM 1244 OG1 THR A 146 24.417 1.632 -12.832 1.00 37.32 O ATOM 1245 CG2 THR A 146 22.693 2.597 -14.209 1.00 30.44 C ATOM 1246 HG1 THR A 146 24.453 0.865 -13.457 1.00 0.00 H ATOM 1247 H THR A 146 23.578 1.923 -10.281 1.00 0.00 H ATOM 1248 N TRP A 147 20.671 3.281 -11.188 1.00 27.05 N ATOM 1249 CA TRP A 147 19.296 3.769 -11.195 1.00 22.41 C ATOM 1250 C TRP A 147 19.203 5.152 -10.562 1.00 33.73 C ATOM 1251 O TRP A 147 18.581 6.066 -11.120 1.00 28.76 O ATOM 1252 CB TRP A 147 18.395 2.780 -10.462 1.00 19.38 C ATOM 1253 CG TRP A 147 16.942 3.073 -10.606 1.00 25.81 C ATOM 1254 CD1 TRP A 147 16.098 2.576 -11.555 1.00 30.73 C ATOM 1255 CD2 TRP A 147 16.152 3.929 -9.772 1.00 38.53 C ATOM 1256 NE1 TRP A 147 14.830 3.074 -11.367 1.00 38.93 N ATOM 1257 CE2 TRP A 147 14.837 3.910 -10.282 1.00 35.31 C ATOM 1258 CE3 TRP A 147 16.428 4.715 -8.650 1.00 40.64 C ATOM 1259 CZ2 TRP A 147 13.801 4.639 -9.703 1.00 33.15 C ATOM 1260 CZ3 TRP A 147 15.397 5.440 -8.077 1.00 33.65 C ATOM 1261 CH2 TRP A 147 14.100 5.391 -8.599 1.00 32.84 C ATOM 1262 HE1 TRP A 147 14.000 2.852 -11.953 1.00 0.00 H ATOM 1263 H TRP A 147 20.906 2.406 -10.678 1.00 0.00 H ATOM 1264 N ILE A 148 19.836 5.325 -9.401 1.00 29.16 N ATOM 1265 CA ILE A 148 19.763 6.592 -8.682 1.00 18.16 C ATOM 1266 C ILE A 148 20.363 7.715 -9.515 1.00 20.97 C ATOM 1267 O ILE A 148 19.734 8.757 -9.732 1.00 27.30 O ATOM 1268 CB ILE A 148 20.461 6.465 -7.317 1.00 17.76 C ATOM 1269 CG1 ILE A 148 19.647 5.547 -6.403 1.00 22.09 C ATOM 1270 CG2 ILE A 148 20.677 7.854 -6.695 1.00 25.44 C ATOM 1271 CD1 ILE A 148 20.397 5.059 -5.174 1.00 27.13 C ATOM 1272 H ILE A 148 20.392 4.542 -9.001 1.00 0.00 H ATOM 1273 N GLN A 149 21.592 7.518 -9.997 1.00 21.48 N ATOM 1274 CA GLN A 149 22.242 8.548 -10.799 1.00 19.02 C ATOM 1275 C GLN A 149 21.408 8.905 -12.025 1.00 35.31 C ATOM 1276 O GLN A 149 21.252 10.088 -12.357 1.00 32.15 O ATOM 1277 CB GLN A 149 23.635 8.074 -11.210 1.00 40.52 C ATOM 1278 CG GLN A 149 24.375 9.020 -12.130 1.00 51.94 C ATOM 1279 CD GLN A 149 25.631 8.398 -12.705 1.00 70.41 C ATOM 1280 OE1 GLN A 149 25.922 7.225 -12.468 1.00 80.72 O ATOM 1281 NE2 GLN A 149 26.382 9.181 -13.469 1.00 78.40 N ATOM 1282 HE22 GLN A 149 26.097 10.166 -13.642 1.00 0.00 H ATOM 1283 HE21 GLN A 149 27.255 8.810 -13.895 1.00 0.00 H ATOM 1284 H GLN A 149 22.088 6.626 -9.800 1.00 0.00 H ATOM 1285 N ASP A 150 20.850 7.899 -12.707 1.00 25.98 N ATOM 1286 CA ASP A 150 20.010 8.184 -13.866 1.00 32.96 C ATOM 1287 C ASP A 150 18.724 8.899 -13.476 1.00 33.25 C ATOM 1288 O ASP A 150 18.100 9.533 -14.329 1.00 28.35 O ATOM 1289 CB ASP A 150 19.686 6.895 -14.624 1.00 24.50 C ATOM 1290 CG ASP A 150 20.913 6.271 -15.274 1.00 36.78 C ATOM 1291 OD1 ASP A 150 21.884 7.007 -15.546 1.00 43.65 O ATOM 1292 OD2 ASP A 150 20.897 5.046 -15.529 1.00 54.42 O ATOM 1293 H ASP A 150 21.014 6.915 -12.412 1.00 0.00 H ATOM 1294 N ASN A 151 18.315 8.823 -12.211 1.00 23.70 N ATOM 1295 CA ASN A 151 17.203 9.646 -11.764 1.00 22.20 C ATOM 1296 C ASN A 151 17.630 11.055 -11.380 1.00 27.05 C ATOM 1297 O ASN A 151 16.775 11.844 -10.970 1.00 35.11 O ATOM 1298 CB ASN A 151 16.490 8.995 -10.584 1.00 26.92 C ATOM 1299 CG ASN A 151 15.385 8.075 -11.017 1.00 31.20 C ATOM 1300 OD1 ASN A 151 15.573 6.860 -11.115 1.00 33.26 O ATOM 1301 ND2 ASN A 151 14.216 8.643 -11.277 1.00 26.75 N ATOM 1302 HD22 ASN A 151 14.105 9.673 -11.180 1.00 0.00 H ATOM 1303 HD21 ASN A 151 13.410 8.059 -11.578 1.00 0.00 H ATOM 1304 H ASN A 151 18.789 8.178 -11.546 1.00 0.00 H ATOM 1305 N GLY A 152 18.908 11.402 -11.534 1.00 29.25 N ATOM 1306 CA GLY A 152 19.419 12.698 -11.120 1.00 20.69 C ATOM 1307 C GLY A 152 20.064 12.712 -9.747 1.00 31.90 C ATOM 1308 O GLY A 152 20.451 13.788 -9.270 1.00 34.90 O ATOM 1309 H GLY A 152 19.563 10.720 -11.966 1.00 0.00 H ATOM 1310 N GLY A 153 20.191 11.563 -9.100 1.00 26.85 N ATOM 1311 CA GLY A 153 20.768 11.508 -7.772 1.00 20.63 C ATOM 1312 C GLY A 153 19.734 11.660 -6.672 1.00 25.51 C ATOM 1313 O GLY A 153 18.519 11.590 -6.880 1.00 27.37 O ATOM 1314 H GLY A 153 19.871 10.684 -9.554 1.00 0.00 H ATOM 1315 N TRP A 154 20.242 11.892 -5.462 1.00 35.47 N ATOM 1316 CA TRP A 154 19.364 11.959 -4.298 1.00 31.07 C ATOM 1317 C TRP A 154 18.540 13.250 -4.228 1.00 35.59 C ATOM 1318 O TRP A 154 17.505 13.264 -3.556 1.00 34.18 O ATOM 1319 CB TRP A 154 20.196 11.757 -3.028 1.00 28.15 C ATOM 1320 CG TRP A 154 20.602 10.315 -2.790 1.00 24.87 C ATOM 1321 CD1 TRP A 154 21.792 9.721 -3.129 1.00 25.76 C ATOM 1322 CD2 TRP A 154 19.813 9.294 -2.162 1.00 20.65 C ATOM 1323 NE1 TRP A 154 21.787 8.396 -2.747 1.00 30.80 N ATOM 1324 CE2 TRP A 154 20.584 8.109 -2.156 1.00 18.77 C ATOM 1325 CE3 TRP A 154 18.530 9.267 -1.604 1.00 22.57 C ATOM 1326 CZ2 TRP A 154 20.120 6.921 -1.604 1.00 24.17 C ATOM 1327 CZ3 TRP A 154 18.066 8.079 -1.064 1.00 24.45 C ATOM 1328 CH2 TRP A 154 18.860 6.923 -1.066 1.00 25.95 C ATOM 1329 HE1 TRP A 154 22.569 7.724 -2.885 1.00 0.00 H ATOM 1330 H TRP A 154 21.267 12.026 -5.347 1.00 0.00 H ATOM 1331 N ASP A 155 18.951 14.320 -4.915 1.00 35.07 N ATOM 1332 CA ASP A 155 18.105 15.505 -4.972 1.00 40.05 C ATOM 1333 C ASP A 155 16.739 15.205 -5.584 1.00 32.78 C ATOM 1334 O ASP A 155 15.738 15.836 -5.215 1.00 44.96 O ATOM 1335 CB ASP A 155 18.787 16.603 -5.754 1.00 30.53 C ATOM 1336 CG ASP A 155 20.052 17.116 -5.088 1.00 53.22 C ATOM 1337 OD1 ASP A 155 20.215 17.019 -3.837 1.00 69.61 O ATOM 1338 OD2 ASP A 155 20.892 17.632 -5.845 1.00 45.13 O ATOM 1339 H ASP A 155 19.868 14.307 -5.405 1.00 0.00 H ATOM 1340 N ALA A 156 16.688 14.274 -6.537 1.00 30.32 N ATOM 1341 CA ALA A 156 15.412 13.823 -7.079 1.00 38.16 C ATOM 1342 C ALA A 156 14.543 13.214 -5.990 1.00 47.78 C ATOM 1343 O ALA A 156 13.319 13.392 -5.983 1.00 60.79 O ATOM 1344 CB ALA A 156 15.651 12.813 -8.199 1.00 36.79 C ATOM 1345 H ALA A 156 17.572 13.863 -6.899 1.00 0.00 H ATOM 1346 N PHE A 157 15.161 12.493 -5.057 1.00 36.32 N ATOM 1347 CA PHE A 157 14.412 11.973 -3.921 1.00 33.33 C ATOM 1348 C PHE A 157 13.975 13.104 -2.999 1.00 36.21 C ATOM 1349 O PHE A 157 12.828 13.128 -2.535 1.00 47.74 O ATOM 1350 CB PHE A 157 15.261 10.941 -3.176 1.00 40.21 C ATOM 1351 CG PHE A 157 14.620 10.407 -1.931 1.00 21.51 C ATOM 1352 CD1 PHE A 157 13.603 9.470 -2.005 1.00 43.90 C ATOM 1353 CD2 PHE A 157 15.052 10.825 -0.684 1.00 33.59 C ATOM 1354 CE1 PHE A 157 13.023 8.967 -0.855 1.00 47.90 C ATOM 1355 CE2 PHE A 157 14.470 10.334 0.467 1.00 41.68 C ATOM 1356 CZ PHE A 157 13.455 9.403 0.383 1.00 43.88 C ATOM 1357 H PHE A 157 16.180 12.301 -5.139 1.00 0.00 H ATOM 1358 N VAL A 158 14.873 14.062 -2.743 1.00 28.15 N ATOM 1359 CA VAL A 158 14.557 15.228 -1.924 1.00 39.93 C ATOM 1360 C VAL A 158 13.408 16.033 -2.513 1.00 44.88 C ATOM 1361 O VAL A 158 12.709 16.741 -1.780 1.00 44.17 O ATOM 1362 CB VAL A 158 15.825 16.098 -1.743 1.00 43.74 C ATOM 1363 CG1 VAL A 158 15.522 17.373 -0.967 1.00 53.43 C ATOM 1364 CG2 VAL A 158 16.903 15.310 -1.020 1.00 38.48 C ATOM 1365 H VAL A 158 15.830 13.973 -3.141 1.00 0.00 H ATOM 1366 N GLU A 159 13.170 15.923 -3.823 1.00 39.39 N ATOM 1367 CA GLU A 159 12.077 16.682 -4.416 1.00 55.73 C ATOM 1368 C GLU A 159 10.732 15.979 -4.269 1.00 62.47 C ATOM 1369 O GLU A 159 9.697 16.651 -4.184 1.00 69.73 O ATOM 1370 CB GLU A 159 12.353 16.964 -5.891 1.00 50.57 C ATOM 1371 CG GLU A 159 11.554 18.146 -6.402 1.00 72.97 C ATOM 1372 CD GLU A 159 11.433 18.163 -7.903 1.00 82.68 C ATOM 1373 OE1 GLU A 159 11.644 17.103 -8.529 1.00 83.35 O ATOM 1374 OE2 GLU A 159 11.138 19.241 -8.455 1.00 86.21 O ATOM 1375 H GLU A 159 13.759 15.302 -4.414 1.00 0.00 H ATOM 1376 N LEU A 160 10.717 14.645 -4.241 1.00 53.21 N ATOM 1377 CA LEU A 160 9.454 13.933 -4.076 1.00 50.84 C ATOM 1378 C LEU A 160 8.953 13.999 -2.638 1.00 60.61 C ATOM 1379 O LEU A 160 7.757 14.210 -2.403 1.00 67.43 O ATOM 1380 CB LEU A 160 9.605 12.477 -4.513 1.00 42.24 C ATOM 1381 CG LEU A 160 9.794 12.223 -6.006 1.00 50.85 C ATOM 1382 CD1 LEU A 160 10.917 11.232 -6.214 1.00 42.79 C ATOM 1383 CD2 LEU A 160 8.506 11.702 -6.624 1.00 60.09 C ATOM 1384 H LEU A 160 11.605 14.113 -4.337 1.00 0.00 H ATOM 1385 N TYR A 161 9.845 13.832 -1.668 1.00 62.06 N ATOM 1386 CA TYR A 161 9.480 13.752 -0.262 1.00 69.84 C ATOM 1387 C TYR A 161 9.910 15.023 0.465 1.00 86.91 C ATOM 1388 O TYR A 161 10.967 15.591 0.171 1.00 92.73 O ATOM 1389 CB TYR A 161 10.117 12.519 0.388 1.00 63.18 C ATOM 1390 CG TYR A 161 9.760 11.204 -0.287 1.00 59.45 C ATOM 1391 CD1 TYR A 161 10.319 10.848 -1.511 1.00 58.62 C ATOM 1392 CD2 TYR A 161 8.874 10.315 0.308 1.00 53.84 C ATOM 1393 CE1 TYR A 161 9.995 9.653 -2.129 1.00 50.44 C ATOM 1394 CE2 TYR A 161 8.548 9.109 -0.299 1.00 48.48 C ATOM 1395 CZ TYR A 161 9.112 8.786 -1.517 1.00 55.67 C ATOM 1396 OH TYR A 161 8.791 7.593 -2.124 1.00 55.17 O ATOM 1397 HH TYR A 161 9.278 7.519 -2.983 1.00 0.00 H ATOM 1398 H TYR A 161 10.850 13.755 -1.925 1.00 0.00 H ATOM 1399 N GLY A 162 9.085 15.469 1.408 1.00 90.09 N ATOM 1400 CA GLY A 162 9.364 16.686 2.152 1.00 83.39 C ATOM 1401 C GLY A 162 8.567 17.885 1.672 1.00 76.07 C ATOM 1402 O GLY A 162 8.795 19.017 2.107 1.00 72.72 O ATOM 1403 H GLY A 162 8.219 14.934 1.618 1.00 0.00 H TER 1404 GLY A 162 HETATM 1405 O HOH 1 22.461 5.260 17.786 1.00 35.73 O HETATM 1406 O HOH 2 23.786 -14.657 8.032 1.00 34.82 O HETATM 1407 O HOH 3 18.301 9.529 7.562 1.00 47.11 O HETATM 1408 O HOH 4 12.171 2.628 -12.374 1.00 31.89 O HETATM 1409 O HOH 5 25.288 -6.460 -0.439 1.00 31.56 O HETATM 1410 O HOH 6 7.713 5.032 -5.763 1.00 39.29 O HETATM 1411 O HOH 7 15.367 -17.256 -1.075 1.00 38.41 O HETATM 1412 O HOH 8 24.947 16.061 2.038 1.00 42.54 O HETATM 1413 O HOH 9 27.655 13.132 0.801 1.00 50.66 O HETATM 1414 O HOH 10 26.992 15.180 1.351 1.00 39.33 O HETATM 1415 C1 F A 3 8.571 -8.089 -1.033 1.00 0.01 C HETATM 1416 C2 F A 3 8.780 -7.598 -2.457 1.00 -0.04 C HETATM 1417 C4 F A 3 7.598 -6.781 -2.940 1.00 -0.02 C HETATM 1418 C3 F A 3 7.439 -5.521 -2.123 1.00 0.05 C HETATM 1419 N6 F A 3 7.521 -5.824 -0.683 1.00 -0.26 N HETATM 1420 C5 F A 3 8.030 -7.001 -0.161 1.00 0.07 C HETATM 1421 C9 F A 3 7.930 -6.933 1.222 1.00 0.05 C HETATM 1422 C8 F A 3 7.350 -5.666 1.533 1.00 -0.06 C HETATM 1423 C7 F A 3 7.104 -5.000 0.356 1.00 0.05 C HETATM 1424 C13 F A 3 6.497 -3.671 0.138 1.00 -0.01 C HETATM 1425 C14 F A 3 7.294 -2.630 -0.350 1.00 -0.03 C HETATM 1426 C17 F A 3 6.713 -1.395 -0.531 1.00 0.13 C HETATM 1427 C16 F A 3 5.390 -1.173 -0.245 1.00 0.13 C HETATM 1428 O20 F A 3 5.062 0.138 -0.505 1.00 -0.29 O HETATM 1429 C19 F A 3 6.263 0.748 -0.981 1.00 0.19 C HETATM 1430 O18 F A 3 7.297 -0.238 -0.994 1.00 -0.29 O HETATM 1431 H11 F A 3 6.105 1.134 -1.999 1.00 0.10 H HETATM 1432 H12 F A 3 6.548 1.576 -0.315 1.00 0.10 H HETATM 1433 C34 F A 3 4.577 -2.177 0.233 1.00 -0.02 C HETATM 1434 C15 F A 3 5.135 -3.446 0.424 1.00 0.03 C HETATM 1435 C21 F A 3 4.242 -4.560 0.890 1.00 0.20 C HETATM 1436 N22 F A 3 4.044 -4.719 2.214 1.00 -0.26 N HETATM 1437 C24 F A 3 3.172 -5.787 2.715 1.00 0.09 C HETATM 1438 C25 F A 3 3.968 -6.721 3.617 1.00 0.01 C HETATM 1439 C28 F A 3 4.700 -5.959 4.692 1.00 -0.04 C HETATM 1440 C27 F A 3 5.017 -4.604 4.509 1.00 -0.02 C HETATM 1441 C26 F A 3 4.666 -3.869 3.234 1.00 0.06 C HETATM 1442 H16 F A 3 3.967 -3.057 3.483 1.00 0.07 H HETATM 1443 H17 F A 3 5.589 -3.442 2.814 1.00 0.07 H HETATM 1444 C32 F A 3 5.675 -3.919 5.528 1.00 -0.06 C HETATM 1445 C31 F A 3 6.019 -4.558 6.706 1.00 -0.08 C HETATM 1446 C30 F A 3 5.713 -5.886 6.883 1.00 -0.08 C HETATM 1447 C29 F A 3 5.058 -6.584 5.884 1.00 -0.07 C HETATM 1448 H18 F A 3 4.820 -7.631 6.031 1.00 0.05 H HETATM 1449 H19 F A 3 5.985 -6.387 7.805 1.00 0.05 H HETATM 1450 H20 F A 3 6.530 -4.011 7.490 1.00 0.05 H HETATM 1451 H21 F A 3 5.921 -2.872 5.396 1.00 0.05 H HETATM 1452 H14 F A 3 4.700 -7.270 3.006 1.00 0.04 H HETATM 1453 H15 F A 3 3.278 -7.434 4.091 1.00 0.04 H HETATM 1454 C33 F A 3 1.913 -5.218 3.380 1.00 -0.01 C HETATM 1455 N35 F A 3 0.647 -5.669 2.786 1.00 0.24 N HETATM 1456 C36 F A 3 0.825 -6.771 1.830 1.00 -0.01 C HETATM 1457 C37 F A 3 -0.279 -6.756 0.801 1.00 0.09 C HETATM 1458 O38 F A 3 -0.196 -5.609 -0.048 1.00 -0.37 O HETATM 1459 C39 F A 3 0.303 -4.485 0.677 1.00 0.09 C HETATM 1460 C40 F A 3 -0.058 -4.555 2.139 1.00 -0.01 C HETATM 1461 H32 F A 3 0.227 -3.612 2.628 1.00 0.08 H HETATM 1462 H33 F A 3 -1.143 -4.706 2.238 1.00 0.08 H HETATM 1463 H30 F A 3 -0.125 -3.567 0.248 1.00 0.06 H HETATM 1464 H31 F A 3 1.399 -4.458 0.582 1.00 0.06 H HETATM 1465 H28 F A 3 -1.249 -6.746 1.319 1.00 0.06 H HETATM 1466 H29 F A 3 -0.203 -7.663 0.183 1.00 0.06 H HETATM 1467 H26 F A 3 0.803 -7.728 2.372 1.00 0.08 H HETATM 1468 H27 F A 3 1.795 -6.659 1.323 1.00 0.08 H HETATM 1469 H25 F A 3 0.067 -6.009 3.537 1.00 0.20 H HETATM 1470 H22 F A 3 1.954 -4.121 3.308 1.00 0.08 H HETATM 1471 H23 F A 3 1.920 -5.516 4.439 1.00 0.08 H HETATM 1472 H13 F A 3 2.837 -6.377 1.849 1.00 0.06 H HETATM 1473 O23 F A 3 3.728 -5.304 0.075 1.00 -0.39 O HETATM 1474 H24 F A 3 3.533 -1.989 0.455 1.00 0.06 H HETATM 1475 H10 F A 3 8.341 -2.791 -0.580 1.00 0.05 H HETATM 1476 H9 F A 3 7.138 -5.291 2.533 1.00 0.03 H HETATM 1477 C10 F A 3 8.338 -8.042 2.143 1.00 0.23 C HETATM 1478 O11 F A 3 8.061 -9.199 1.852 1.00 -0.38 O HETATM 1479 N12 F A 3 9.036 -7.781 3.348 1.00 -0.18 N HETATM 1480 C41 F A 3 9.527 -6.470 3.685 1.00 0.08 C HETATM 1481 C43 F A 3 9.025 -5.802 4.793 1.00 -0.04 C HETATM 1482 C44 F A 3 9.491 -4.541 5.117 1.00 -0.04 C HETATM 1483 C45 F A 3 10.463 -3.936 4.329 1.00 0.07 C HETATM 1484 C46 F A 3 10.970 -4.604 3.223 1.00 -0.04 C HETATM 1485 C47 F A 3 10.504 -5.867 2.904 1.00 -0.04 C HETATM 1486 H37 F A 3 10.903 -6.388 2.041 1.00 0.05 H HETATM 1487 H36 F A 3 11.731 -4.136 2.609 1.00 0.05 H HETATM 1488 O53 F A 3 10.906 -2.679 4.634 1.00 -0.34 O HETATM 1489 H43 F A 3 11.843 -2.704 4.791 1.00 0.24 H HETATM 1490 H35 F A 3 9.098 -4.024 5.985 1.00 0.05 H HETATM 1491 H34 F A 3 8.264 -6.271 5.407 1.00 0.05 H HETATM 1492 C42 F A 3 9.280 -8.839 4.294 1.00 0.09 C HETATM 1493 C48 F A 3 10.584 -9.200 4.611 1.00 -0.04 C HETATM 1494 C49 F A 3 10.811 -10.226 5.514 1.00 -0.07 C HETATM 1495 C50 F A 3 9.750 -10.891 6.097 1.00 -0.08 C HETATM 1496 C51 F A 3 8.455 -10.531 5.782 1.00 -0.07 C HETATM 1497 C52 F A 3 8.212 -9.505 4.884 1.00 -0.04 C HETATM 1498 H42 F A 3 7.194 -9.223 4.642 1.00 0.05 H HETATM 1499 H41 F A 3 7.624 -11.054 6.240 1.00 0.06 H HETATM 1500 H40 F A 3 9.934 -11.694 6.801 1.00 0.05 H HETATM 1501 H39 F A 3 11.827 -10.508 5.764 1.00 0.06 H HETATM 1502 H38 F A 3 11.419 -8.682 4.154 1.00 0.05 H HETATM 1503 H5 F A 3 6.461 -5.069 -2.342 1.00 0.06 H HETATM 1504 H6 F A 3 8.238 -4.814 -2.390 1.00 0.06 H HETATM 1505 H7 F A 3 6.683 -7.385 -2.851 1.00 0.03 H HETATM 1506 H8 F A 3 7.756 -6.508 -3.994 1.00 0.03 H HETATM 1507 H3 F A 3 8.909 -8.466 -3.120 1.00 0.03 H HETATM 1508 H4 F A 3 9.685 -6.973 -2.491 1.00 0.03 H HETATM 1509 H1 F A 3 9.534 -8.430 -0.626 1.00 0.05 H HETATM 1510 H2 F A 3 7.860 -8.928 -1.043 1.00 0.05 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 271 272 276 277 278 CONECT 276 271 CONECT 277 271 CONECT 278 271 CONECT 1415 1416 1420 1509 1510 CONECT 1416 1415 1417 1507 1508 CONECT 1417 1416 1418 1505 1506 CONECT 1418 1417 1419 1503 1504 CONECT 1419 1418 1420 1423 CONECT 1420 1415 1419 1421 CONECT 1421 1420 1422 1477 CONECT 1422 1421 1423 1476 CONECT 1423 1419 1422 1424 CONECT 1424 1423 1425 1434 CONECT 1425 1424 1426 1475 CONECT 1426 1425 1427 1430 CONECT 1427 1426 1428 1433 CONECT 1428 1427 1429 CONECT 1429 1428 1430 1431 1432 CONECT 1430 1426 1429 CONECT 1431 1429 CONECT 1432 1429 CONECT 1433 1427 1434 1474 CONECT 1434 1424 1433 1435 CONECT 1435 1434 1436 1473 CONECT 1436 1435 1437 1441 CONECT 1437 1436 1438 1454 1472 CONECT 1438 1437 1439 1452 1453 CONECT 1439 1438 1440 1447 CONECT 1440 1439 1441 1444 CONECT 1441 1436 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 CONECT 1444 1440 1445 1451 CONECT 1445 1444 1446 1450 CONECT 1446 1445 1447 1449 CONECT 1447 1439 1446 1448 CONECT 1448 1447 CONECT 1449 1446 CONECT 1450 1445 CONECT 1451 1444 CONECT 1452 1438 CONECT 1453 1438 CONECT 1454 1437 1455 1470 1471 CONECT 1455 1454 1456 1460 1469 CONECT 1456 1455 1457 1467 1468 CONECT 1457 1456 1458 1465 1466 CONECT 1458 1457 1459 CONECT 1459 1458 1460 1463 1464 CONECT 1460 1455 1459 1461 1462 CONECT 1461 1460 CONECT 1462 1460 CONECT 1463 1459 CONECT 1464 1459 CONECT 1465 1457 CONECT 1466 1457 CONECT 1467 1456 CONECT 1468 1456 CONECT 1469 1455 CONECT 1470 1454 CONECT 1471 1454 CONECT 1472 1437 CONECT 1473 1435 CONECT 1474 1433 CONECT 1475 1425 CONECT 1476 1422 CONECT 1477 1421 1478 1479 CONECT 1478 1477 CONECT 1479 1477 1480 1492 CONECT 1480 1479 1481 1485 CONECT 1481 1480 1482 1491 CONECT 1482 1481 1483 1490 CONECT 1483 1482 1484 1488 CONECT 1484 1483 1485 1487 CONECT 1485 1480 1484 1486 CONECT 1486 1485 CONECT 1487 1484 CONECT 1488 1483 1489 CONECT 1489 1488 CONECT 1490 1482 CONECT 1491 1481 CONECT 1492 1479 1493 1497 CONECT 1493 1492 1494 1502 CONECT 1494 1493 1495 1501 CONECT 1495 1494 1496 1500 CONECT 1496 1495 1497 1499 CONECT 1497 1492 1496 1498 CONECT 1498 1497 CONECT 1499 1496 CONECT 1500 1495 CONECT 1501 1494 CONECT 1502 1493 CONECT 1503 1418 CONECT 1504 1418 CONECT 1505 1417 CONECT 1506 1417 CONECT 1507 1416 CONECT 1508 1416 CONECT 1509 1415 CONECT 1510 1415 MASTER 0 0 0 0 0 0 0 0 1508 2 104 11 END
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Structure:
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Related entries of code: 6o0o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2o22
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PDBbind
164aa, >2O22_1|Chain... at 94%
2w3l
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PDBbind
144aa, >2W3L_1|Chains... at 99%
4aq3
RCSB PDB
PDBbind
169aa, >4AQ3_1|Chains... at 90%
4ieh
RCSB PDB
PDBbind
169aa, >4IEH_1|Chain... at 91%
4lvt
RCSB PDB
PDBbind
166aa, >4LVT_1|Chains... at 93%
4lxd
RCSB PDB
PDBbind
166aa, >4LXD_1|Chain... at 93%
4man
RCSB PDB
PDBbind
166aa, >4MAN_1|Chains... at 93%
6gl8
RCSB PDB
PDBbind
172aa, >6GL8_1|Chain... *
6o0p
RCSB PDB
PDBbind
166aa, >6O0P_1|Chain... at 92%
6o0m
RCSB PDB
PDBbind
166aa, >6O0M_1|Chain... at 92%
6o0k
RCSB PDB
PDBbind
166aa, >6O0K_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6gl8
RCSB PDB
PDBbind
F3Q
Entry Information
PDB ID
6o0o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BCL-2 G101V mutation
Ligand Name
F3Q
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=36nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat Commun Vol. 10: pp. 2385-2385
Ligand Properties
Formula
C
4
3
H
4
3
N
4
O
6
Molecular Weight
711.825
Exact Mass
711.318
No. of atoms
96
No. of bonds
104
Polar Surface Area
97.91
LOGP Value
5.79 (
Computed with XLOGP3
)
6.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 9
Canonical SMILES
Oc1ccc(cc1)N(C(=O)c1cc(n2c1CCCC2)c1cc2OCOc2cc1C(=O)N1Cc2ccccc2C[C@H]1C[NH+]1CCOCC1)c1ccccc1
InChI String
InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/p+1/t33-/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):
P10415
Q07817
Entrez Gene ID
NCBI Entrez Gene ID:
596
598
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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