Browse entries in the PDBbind-CN Database
HEADER 6B27_COMPLEX COMPND 6B27_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 118 ALA ASN SER TYR VAL ALA LEU TYR LYS PHE LEU PRO GLN SEQRES 2 A 118 GLU ASN ASN ASP LEU ALA LEU GLN PRO GLY ASP ARG ILE SEQRES 3 A 118 MET LEU VAL ASP ASP SER ASN GLU ASP TRP TRP LYS GLY SEQRES 4 A 118 LYS ILE GLY ASP ARG VAL GLY PHE PHE PRO ALA ASN PHE SEQRES 5 A 118 VAL GLN ARG VAL ARG PRO GLY GLU ASN VAL TRP ARG CYS SEQRES 6 A 118 CYS GLN PRO PHE SER GLY ASN LYS GLU GLN GLY TYR MET SEQRES 7 A 118 SER LEU LYS GLU ASN GLN ILE CYS VAL GLY VAL GLY ARG SEQRES 8 A 118 SER LYS ASP ALA ASP GLY PHE ILE ARG VAL SER SER GLY SEQRES 9 A 118 LYS LYS ARG GLY LEU VAL PRO VAL ASP ALA LEU THR GLU SEQRES 10 A 118 ILE HET GLU A 237 160 ATOM 1 N ALA A 294 23.079 66.807 5.655 1.00 50.07 N ATOM 2 CA ALA A 294 22.999 66.634 7.138 1.00 42.60 C ATOM 3 C ALA A 294 22.470 65.281 7.537 1.00 41.26 C ATOM 4 O ALA A 294 21.869 65.092 8.613 1.00 39.46 O ATOM 5 CB ALA A 294 22.150 67.747 7.775 1.00 50.02 C ATOM 6 HN3 ALA A 294 22.130 66.701 5.243 1.00 0.00 H ATOM 7 HN2 ALA A 294 23.714 66.086 5.257 1.00 0.00 H ATOM 8 HN1 ALA A 294 23.449 67.754 5.437 1.00 0.00 H ATOM 9 N ASN A 295 22.758 64.296 6.695 1.00 35.86 N ATOM 10 CA ASN A 295 22.233 62.987 6.918 1.00 32.40 C ATOM 11 C ASN A 295 23.364 61.980 7.284 1.00 23.18 C ATOM 12 O ASN A 295 23.075 60.842 7.318 1.00 22.76 O ATOM 13 CB ASN A 295 21.378 62.507 5.690 1.00 35.32 C ATOM 14 CG ASN A 295 22.142 62.503 4.355 1.00 39.74 C ATOM 15 OD1 ASN A 295 23.348 62.698 4.305 1.00 39.64 O ATOM 16 ND2 ASN A 295 21.412 62.266 3.250 1.00 44.32 N ATOM 17 HD22 ASN A 295 20.388 62.104 3.328 1.00 0.00 H ATOM 18 HD21 ASN A 295 21.872 62.245 2.318 1.00 0.00 H ATOM 19 H ASN A 295 23.367 64.478 5.872 1.00 0.00 H ATOM 20 N SER A 296 24.600 62.392 7.611 1.00 19.86 N ATOM 21 CA SER A 296 25.700 61.468 7.758 1.00 22.11 C ATOM 22 C SER A 296 25.974 61.180 9.212 1.00 21.72 C ATOM 23 O SER A 296 26.176 62.094 10.012 1.00 18.96 O ATOM 24 CB SER A 296 26.973 62.015 7.143 1.00 28.32 C ATOM 25 OG SER A 296 26.653 62.331 5.847 1.00 32.65 O ATOM 26 HG SER A 296 27.452 62.696 5.391 1.00 0.00 H ATOM 27 H SER A 296 24.770 63.407 7.763 1.00 0.00 H ATOM 28 N TYR A 297 25.979 59.881 9.564 1.00 20.24 N ATOM 29 CA TYR A 297 26.199 59.421 10.922 1.00 18.93 C ATOM 30 C TYR A 297 27.249 58.289 10.964 1.00 18.64 C ATOM 31 O TYR A 297 27.576 57.695 9.937 1.00 19.69 O ATOM 32 CB TYR A 297 24.871 58.949 11.579 1.00 18.94 C ATOM 33 CG TYR A 297 23.870 60.088 11.817 1.00 19.03 C ATOM 34 CD1 TYR A 297 23.108 60.615 10.757 1.00 21.62 C ATOM 35 CD2 TYR A 297 23.698 60.640 13.078 1.00 19.24 C ATOM 36 CE1 TYR A 297 22.212 61.666 10.944 1.00 20.01 C ATOM 37 CE2 TYR A 297 22.817 61.691 13.267 1.00 22.58 C ATOM 38 CZ TYR A 297 22.083 62.189 12.204 1.00 20.52 C ATOM 39 OH TYR A 297 21.220 63.243 12.440 1.00 25.18 O ATOM 40 HH TYR A 297 21.733 64.018 12.781 1.00 0.00 H ATOM 41 H TYR A 297 25.817 59.169 8.823 1.00 0.00 H ATOM 42 N VAL A 298 27.770 58.016 12.147 1.00 17.74 N ATOM 43 CA VAL A 298 28.631 56.856 12.392 1.00 17.06 C ATOM 44 C VAL A 298 28.093 56.075 13.570 1.00 16.39 C ATOM 45 O VAL A 298 27.596 56.651 14.538 1.00 15.23 O ATOM 46 CB VAL A 298 30.114 57.228 12.636 1.00 18.97 C ATOM 47 CG1 VAL A 298 30.256 58.145 13.848 1.00 20.13 C ATOM 48 CG2 VAL A 298 30.977 56.020 12.739 1.00 19.71 C ATOM 49 H VAL A 298 27.559 58.654 12.941 1.00 0.00 H ATOM 50 N ALA A 299 28.099 54.736 13.465 1.00 16.44 N ATOM 51 CA ALA A 299 27.687 53.884 14.548 1.00 15.34 C ATOM 52 C ALA A 299 28.715 53.938 15.677 1.00 14.74 C ATOM 53 O ALA A 299 29.901 53.708 15.405 1.00 13.64 O ATOM 54 CB ALA A 299 27.572 52.430 14.039 1.00 15.20 C ATOM 55 H ALA A 299 28.411 54.302 12.573 1.00 0.00 H ATOM 56 N LEU A 300 28.267 54.185 16.905 1.00 15.04 N ATOM 57 CA LEU A 300 29.161 54.188 18.068 1.00 14.94 C ATOM 58 C LEU A 300 29.334 52.846 18.725 1.00 14.03 C ATOM 59 O LEU A 300 30.348 52.549 19.359 1.00 15.17 O ATOM 60 CB LEU A 300 28.581 55.119 19.083 1.00 15.49 C ATOM 61 CG LEU A 300 28.508 56.553 18.601 1.00 18.31 C ATOM 62 CD1 LEU A 300 27.654 57.291 19.588 1.00 21.67 C ATOM 63 CD2 LEU A 300 29.904 57.151 18.482 1.00 18.50 C ATOM 64 H LEU A 300 27.255 54.381 17.044 1.00 0.00 H ATOM 65 N TYR A 301 28.265 52.014 18.621 1.00 15.10 N ATOM 66 CA TYR A 301 28.154 50.757 19.306 1.00 16.54 C ATOM 67 C TYR A 301 27.647 49.656 18.385 1.00 16.86 C ATOM 68 O TYR A 301 26.938 49.956 17.400 1.00 17.62 O ATOM 69 CB TYR A 301 27.220 50.827 20.535 1.00 18.32 C ATOM 70 CG TYR A 301 27.418 52.076 21.363 1.00 17.58 C ATOM 71 CD1 TYR A 301 28.540 52.247 22.117 1.00 19.97 C ATOM 72 CD2 TYR A 301 26.484 53.081 21.355 1.00 19.45 C ATOM 73 CE1 TYR A 301 28.750 53.418 22.847 1.00 20.27 C ATOM 74 CE2 TYR A 301 26.699 54.260 22.104 1.00 20.18 C ATOM 75 CZ TYR A 301 27.817 54.397 22.847 1.00 21.69 C ATOM 76 OH TYR A 301 28.085 55.577 23.499 1.00 23.50 O ATOM 77 HH TYR A 301 27.354 55.773 24.137 1.00 0.00 H ATOM 78 H TYR A 301 27.478 52.306 18.007 1.00 0.00 H ATOM 79 N LYS A 302 27.988 48.386 18.681 1.00 16.57 N ATOM 80 CA LYS A 302 27.413 47.278 17.994 1.00 17.94 C ATOM 81 C LYS A 302 25.945 47.126 18.246 1.00 17.29 C ATOM 82 O LYS A 302 25.474 47.257 19.393 1.00 18.15 O ATOM 83 CB LYS A 302 28.164 46.004 18.436 1.00 23.07 C ATOM 84 CG LYS A 302 27.766 44.668 17.821 1.00 32.69 C ATOM 85 CD LYS A 302 28.650 43.492 18.329 1.00 36.33 C ATOM 86 CE LYS A 302 28.634 43.212 19.854 1.00 47.03 C ATOM 87 NZ LYS A 302 27.391 42.561 20.418 1.00 56.91 N ATOM 88 HZ1 LYS A 302 26.569 43.171 20.236 1.00 0.00 H ATOM 89 HZ2 LYS A 302 27.247 41.638 19.961 1.00 0.00 H ATOM 90 HZ3 LYS A 302 27.505 42.428 21.443 1.00 0.00 H ATOM 91 H LYS A 302 28.688 48.210 19.430 1.00 0.00 H ATOM 92 N PHE A 303 25.174 46.805 17.220 1.00 17.36 N ATOM 93 CA PHE A 303 23.710 46.536 17.342 1.00 15.45 C ATOM 94 C PHE A 303 23.464 45.285 16.515 1.00 16.23 C ATOM 95 O PHE A 303 23.532 45.298 15.265 1.00 15.34 O ATOM 96 CB PHE A 303 22.850 47.674 16.850 1.00 16.72 C ATOM 97 CG PHE A 303 21.339 47.370 16.793 1.00 15.30 C ATOM 98 CD1 PHE A 303 20.631 47.051 17.928 1.00 15.06 C ATOM 99 CD2 PHE A 303 20.661 47.427 15.594 1.00 15.16 C ATOM 100 CE1 PHE A 303 19.267 46.822 17.884 1.00 15.01 C ATOM 101 CE2 PHE A 303 19.283 47.154 15.505 1.00 16.73 C ATOM 102 CZ PHE A 303 18.574 46.866 16.655 1.00 17.55 C ATOM 103 H PHE A 303 25.611 46.736 16.279 1.00 0.00 H ATOM 104 N LEU A 304 23.061 44.247 17.215 1.00 18.33 N ATOM 105 CA LEU A 304 22.764 42.945 16.525 1.00 21.46 C ATOM 106 C LEU A 304 21.323 42.908 16.135 1.00 20.84 C ATOM 107 O LEU A 304 20.438 43.204 16.954 1.00 22.35 O ATOM 108 CB LEU A 304 23.053 41.734 17.417 1.00 24.73 C ATOM 109 CG LEU A 304 24.463 41.681 17.962 1.00 28.49 C ATOM 110 CD1 LEU A 304 24.592 40.421 18.829 1.00 31.75 C ATOM 111 CD2 LEU A 304 25.498 41.790 16.839 1.00 28.98 C ATOM 112 H LEU A 304 22.948 44.327 18.246 1.00 0.00 H ATOM 113 N PRO A 305 21.061 42.568 14.859 1.00 18.47 N ATOM 114 CA PRO A 305 19.677 42.577 14.500 1.00 19.83 C ATOM 115 C PRO A 305 18.854 41.573 15.305 1.00 19.86 C ATOM 116 O PRO A 305 19.223 40.439 15.439 1.00 19.90 O ATOM 117 CB PRO A 305 19.651 42.092 13.035 1.00 19.96 C ATOM 118 CG PRO A 305 21.034 42.150 12.534 1.00 20.32 C ATOM 119 CD PRO A 305 21.940 42.176 13.741 1.00 20.34 C ATOM 120 N GLN A 306 17.789 42.083 15.884 1.00 21.08 N ATOM 121 CA GLN A 306 16.887 41.303 16.771 1.00 23.20 C ATOM 122 C GLN A 306 15.552 40.992 16.098 1.00 25.83 C ATOM 123 O GLN A 306 14.917 40.022 16.581 1.00 30.44 O ATOM 124 CB GLN A 306 16.684 42.015 18.143 1.00 22.14 C ATOM 125 CG GLN A 306 17.909 42.574 18.880 1.00 19.33 C ATOM 126 CD GLN A 306 17.591 43.563 20.038 1.00 19.56 C ATOM 127 OE1 GLN A 306 16.915 44.560 19.843 1.00 16.38 O ATOM 128 NE2 GLN A 306 18.014 43.223 21.258 1.00 20.38 N ATOM 129 HE22 GLN A 306 18.589 42.366 21.389 1.00 0.00 H ATOM 130 HE21 GLN A 306 17.769 43.815 22.077 1.00 0.00 H ATOM 131 H GLN A 306 17.566 43.084 15.712 1.00 0.00 H ATOM 132 N GLU A 307 15.094 41.774 15.037 1.00 27.04 N ATOM 133 CA GLU A 307 13.823 41.732 14.395 1.00 27.20 C ATOM 134 C GLU A 307 13.925 42.089 12.944 1.00 25.27 C ATOM 135 O GLU A 307 14.923 42.685 12.467 1.00 24.60 O ATOM 136 CB GLU A 307 12.698 42.606 15.152 1.00 28.71 C ATOM 137 CG GLU A 307 12.688 42.332 16.662 1.00 33.26 C ATOM 138 CD GLU A 307 11.403 42.793 17.431 1.00 34.06 C ATOM 139 OE1 GLU A 307 10.538 43.325 16.705 1.00 31.23 O ATOM 140 OE2 GLU A 307 11.339 42.693 18.741 1.00 32.17 O ATOM 141 H GLU A 307 15.766 42.477 14.668 1.00 0.00 H ATOM 142 N ASN A 308 12.936 41.657 12.169 1.00 26.91 N ATOM 143 CA ASN A 308 12.903 41.849 10.767 1.00 24.07 C ATOM 144 C ASN A 308 13.074 43.366 10.489 1.00 29.40 C ATOM 145 O ASN A 308 12.641 44.187 11.269 1.00 29.29 O ATOM 146 CB ASN A 308 11.589 41.412 10.127 1.00 31.42 C ATOM 147 CG ASN A 308 11.678 41.368 8.594 1.00 27.61 C ATOM 148 OD1 ASN A 308 12.723 41.121 8.015 1.00 35.39 O ATOM 149 ND2 ASN A 308 10.565 41.556 7.938 1.00 34.33 N ATOM 150 HD22 ASN A 308 9.686 41.765 8.454 1.00 0.00 H ATOM 151 HD21 ASN A 308 10.557 41.496 6.900 1.00 0.00 H ATOM 152 H ASN A 308 12.145 41.151 12.616 1.00 0.00 H ATOM 153 N ASN A 309 13.776 43.682 9.438 1.00 25.48 N ATOM 154 CA ASN A 309 14.053 45.093 9.064 1.00 22.50 C ATOM 155 C ASN A 309 15.040 45.836 9.966 1.00 19.80 C ATOM 156 O ASN A 309 15.237 47.060 9.705 1.00 23.10 O ATOM 157 CB ASN A 309 12.793 45.920 8.879 1.00 24.66 C ATOM 158 CG ASN A 309 11.896 45.345 7.821 1.00 30.41 C ATOM 159 OD1 ASN A 309 12.326 45.079 6.727 1.00 31.61 O ATOM 160 ND2 ASN A 309 10.691 45.091 8.169 1.00 29.84 N ATOM 161 HD22 ASN A 309 10.363 45.338 9.124 1.00 0.00 H ATOM 162 HD21 ASN A 309 10.040 44.637 7.497 1.00 0.00 H ATOM 163 H ASN A 309 14.156 42.920 8.840 1.00 0.00 H ATOM 164 N ASP A 310 15.654 45.162 10.948 1.00 17.96 N ATOM 165 CA ASP A 310 16.708 45.794 11.727 1.00 16.87 C ATOM 166 C ASP A 310 17.922 45.953 10.821 1.00 18.82 C ATOM 167 O ASP A 310 18.190 45.100 10.017 1.00 18.38 O ATOM 168 CB ASP A 310 17.095 45.020 12.973 1.00 16.56 C ATOM 169 CG ASP A 310 16.113 45.155 14.113 1.00 18.08 C ATOM 170 OD1 ASP A 310 15.186 45.988 14.068 1.00 18.03 O ATOM 171 OD2 ASP A 310 16.336 44.422 15.076 1.00 19.84 O ATOM 172 H ASP A 310 15.376 44.181 11.155 1.00 0.00 H ATOM 173 N LEU A 311 18.696 47.035 11.020 1.00 15.89 N ATOM 174 CA LEU A 311 19.978 47.211 10.357 1.00 16.06 C ATOM 175 C LEU A 311 21.103 46.942 11.347 1.00 14.96 C ATOM 176 O LEU A 311 21.208 47.606 12.354 1.00 17.14 O ATOM 177 CB LEU A 311 20.077 48.675 9.847 1.00 17.37 C ATOM 178 CG LEU A 311 21.394 49.137 9.248 1.00 16.61 C ATOM 179 CD1 LEU A 311 21.613 48.365 7.904 1.00 17.99 C ATOM 180 CD2 LEU A 311 21.448 50.656 9.057 1.00 18.83 C ATOM 181 H LEU A 311 18.365 47.774 11.673 1.00 0.00 H ATOM 182 N ALA A 312 21.879 45.889 11.100 1.00 15.01 N ATOM 183 CA ALA A 312 23.000 45.582 11.952 1.00 14.11 C ATOM 184 C ALA A 312 23.990 46.753 11.938 1.00 15.55 C ATOM 185 O ALA A 312 24.316 47.203 10.858 1.00 17.07 O ATOM 186 CB ALA A 312 23.655 44.328 11.496 1.00 17.12 C ATOM 187 H ALA A 312 21.674 45.280 10.282 1.00 0.00 H ATOM 188 N LEU A 313 24.472 47.133 13.122 1.00 14.34 N ATOM 189 CA LEU A 313 25.513 48.188 13.307 1.00 13.78 C ATOM 190 C LEU A 313 26.734 47.571 13.849 1.00 15.28 C ATOM 191 O LEU A 313 26.695 46.719 14.771 1.00 14.98 O ATOM 192 CB LEU A 313 25.060 49.280 14.264 1.00 14.99 C ATOM 193 CG LEU A 313 23.770 50.008 13.939 1.00 17.32 C ATOM 194 CD1 LEU A 313 23.543 51.098 14.949 1.00 16.66 C ATOM 195 CD2 LEU A 313 23.714 50.577 12.544 1.00 18.20 C ATOM 196 H LEU A 313 24.099 46.664 13.972 1.00 0.00 H ATOM 197 N GLN A 314 27.850 47.916 13.227 1.00 15.25 N ATOM 198 CA GLN A 314 29.167 47.723 13.848 1.00 16.13 C ATOM 199 C GLN A 314 29.816 49.088 14.113 1.00 15.57 C ATOM 200 O GLN A 314 29.678 49.991 13.310 1.00 15.76 O ATOM 201 CB GLN A 314 30.083 46.905 12.960 1.00 18.15 C ATOM 202 CG GLN A 314 29.615 45.493 12.829 1.00 21.68 C ATOM 203 CD GLN A 314 29.787 44.666 14.126 1.00 27.89 C ATOM 204 OE1 GLN A 314 30.821 44.764 14.862 1.00 31.18 O ATOM 205 NE2 GLN A 314 28.764 43.838 14.431 1.00 31.92 N ATOM 206 HE22 GLN A 314 27.935 43.784 13.806 1.00 0.00 H ATOM 207 HE21 GLN A 314 28.806 43.255 15.291 1.00 0.00 H ATOM 208 H GLN A 314 27.793 48.334 12.276 1.00 0.00 H ATOM 209 N PRO A 315 30.579 49.190 15.204 1.00 16.43 N ATOM 210 CA PRO A 315 31.235 50.517 15.486 1.00 16.03 C ATOM 211 C PRO A 315 32.054 50.962 14.319 1.00 15.97 C ATOM 212 O PRO A 315 32.784 50.111 13.738 1.00 18.49 O ATOM 213 CB PRO A 315 32.075 50.200 16.747 1.00 16.95 C ATOM 214 CG PRO A 315 31.362 49.012 17.361 1.00 19.30 C ATOM 215 CD PRO A 315 30.979 48.193 16.215 1.00 16.72 C ATOM 216 N GLY A 316 31.893 52.251 13.934 1.00 16.71 N ATOM 217 CA GLY A 316 32.610 52.818 12.827 1.00 16.40 C ATOM 218 C GLY A 316 31.866 52.773 11.528 1.00 17.17 C ATOM 219 O GLY A 316 32.261 53.477 10.575 1.00 17.50 O ATOM 220 H GLY A 316 31.226 52.851 14.459 1.00 0.00 H ATOM 221 N ASP A 317 30.778 52.001 11.419 1.00 16.16 N ATOM 222 CA ASP A 317 29.978 52.017 10.226 1.00 15.45 C ATOM 223 C ASP A 317 29.447 53.389 9.876 1.00 14.96 C ATOM 224 O ASP A 317 28.980 54.120 10.743 1.00 14.39 O ATOM 225 CB ASP A 317 28.745 51.081 10.304 1.00 15.48 C ATOM 226 CG ASP A 317 29.094 49.608 10.200 1.00 17.55 C ATOM 227 OD1 ASP A 317 30.187 49.194 9.658 1.00 17.20 O ATOM 228 OD2 ASP A 317 28.209 48.780 10.645 1.00 16.77 O ATOM 229 H ASP A 317 30.508 51.381 12.209 1.00 0.00 H ATOM 230 N ARG A 318 29.487 53.736 8.586 1.00 15.51 N ATOM 231 CA ARG A 318 29.012 55.014 8.098 1.00 16.02 C ATOM 232 C ARG A 318 27.546 54.908 7.622 1.00 16.25 C ATOM 233 O ARG A 318 27.190 54.058 6.772 1.00 18.93 O ATOM 234 CB ARG A 318 29.940 55.535 6.961 1.00 16.61 C ATOM 235 CG ARG A 318 31.440 55.476 7.274 1.00 16.98 C ATOM 236 CD ARG A 318 31.755 56.428 8.402 1.00 17.48 C ATOM 237 NE ARG A 318 33.184 56.577 8.660 1.00 20.50 N ATOM 238 CZ ARG A 318 33.954 57.556 8.189 1.00 21.54 C ATOM 239 NH1 ARG A 318 33.469 58.530 7.440 1.00 21.84 N ATOM 240 NH2 ARG A 318 35.203 57.571 8.544 1.00 21.69 N ATOM 241 HE ARG A 318 33.638 55.860 9.261 1.00 0.00 H ATOM 242 HH12 ARG A 318 34.099 59.279 7.089 1.00 0.00 H ATOM 243 HH11 ARG A 318 32.457 58.548 7.201 1.00 0.00 H ATOM 244 HH22 ARG A 318 35.834 58.321 8.195 1.00 0.00 H ATOM 245 HH21 ARG A 318 35.573 56.833 9.177 1.00 0.00 H ATOM 246 H ARG A 318 29.877 53.057 7.901 1.00 0.00 H ATOM 247 N ILE A 319 26.677 55.707 8.208 1.00 16.67 N ATOM 248 CA ILE A 319 25.252 55.606 7.995 1.00 16.55 C ATOM 249 C ILE A 319 24.717 56.821 7.248 1.00 17.40 C ATOM 250 O ILE A 319 25.050 57.910 7.607 1.00 19.10 O ATOM 251 CB ILE A 319 24.512 55.536 9.339 1.00 17.78 C ATOM 252 CG1 ILE A 319 24.934 54.271 10.103 1.00 19.76 C ATOM 253 CG2 ILE A 319 22.995 55.478 9.146 1.00 21.33 C ATOM 254 CD1 ILE A 319 24.669 54.362 11.582 1.00 21.14 C ATOM 255 H ILE A 319 27.033 56.442 8.852 1.00 0.00 H ATOM 256 N MET A 320 23.927 56.615 6.199 1.00 16.62 N ATOM 257 CA MET A 320 23.141 57.684 5.613 1.00 19.19 C ATOM 258 C MET A 320 21.773 57.615 6.224 1.00 18.31 C ATOM 259 O MET A 320 21.099 56.585 6.083 1.00 18.48 O ATOM 260 CB MET A 320 23.048 57.494 4.113 1.00 23.66 C ATOM 261 CG MET A 320 22.337 58.645 3.427 1.00 28.52 C ATOM 262 SD MET A 320 22.115 58.297 1.618 1.00 37.23 S ATOM 263 CE MET A 320 22.882 56.747 1.189 1.00 45.73 C ATOM 264 H MET A 320 23.871 55.662 5.787 1.00 0.00 H ATOM 265 N LEU A 321 21.319 58.666 6.903 1.00 19.67 N ATOM 266 CA LEU A 321 20.052 58.646 7.568 1.00 19.83 C ATOM 267 C LEU A 321 18.939 58.796 6.508 1.00 23.42 C ATOM 268 O LEU A 321 19.062 59.629 5.570 1.00 22.15 O ATOM 269 CB LEU A 321 19.961 59.761 8.617 1.00 21.73 C ATOM 270 CG LEU A 321 18.636 59.991 9.319 1.00 22.50 C ATOM 271 CD1 LEU A 321 18.273 58.863 10.256 1.00 26.55 C ATOM 272 CD2 LEU A 321 18.641 61.315 10.063 1.00 26.22 C ATOM 273 H LEU A 321 21.902 59.526 6.952 1.00 0.00 H ATOM 274 N VAL A 322 17.915 57.935 6.616 1.00 21.50 N ATOM 275 CA VAL A 322 16.805 57.874 5.668 1.00 25.25 C ATOM 276 C VAL A 322 15.551 58.447 6.333 1.00 26.84 C ATOM 277 O VAL A 322 14.776 59.151 5.642 1.00 29.70 O ATOM 278 CB VAL A 322 16.575 56.440 5.063 1.00 28.80 C ATOM 279 CG1 VAL A 322 15.284 56.326 4.248 1.00 33.10 C ATOM 280 CG2 VAL A 322 17.750 55.994 4.185 1.00 27.24 C ATOM 281 H VAL A 322 17.912 57.274 7.419 1.00 0.00 H ATOM 282 N ASP A 323 15.291 58.141 7.602 1.00 23.28 N ATOM 283 CA ASP A 323 14.079 58.557 8.260 1.00 27.04 C ATOM 284 C ASP A 323 14.263 58.640 9.750 1.00 26.69 C ATOM 285 O ASP A 323 14.517 57.609 10.386 1.00 27.82 O ATOM 286 CB ASP A 323 12.957 57.562 7.911 1.00 28.88 C ATOM 287 CG ASP A 323 11.555 58.014 8.350 1.00 32.46 C ATOM 288 OD1 ASP A 323 11.393 58.749 9.310 1.00 32.59 O ATOM 289 OD2 ASP A 323 10.602 57.520 7.744 1.00 35.08 O ATOM 290 H ASP A 323 15.987 57.583 8.137 1.00 0.00 H ATOM 291 N ASP A 324 14.088 59.852 10.292 1.00 23.13 N ATOM 292 CA ASP A 324 14.153 60.147 11.705 1.00 25.91 C ATOM 293 C ASP A 324 12.816 60.630 12.292 1.00 25.77 C ATOM 294 O ASP A 324 12.825 61.208 13.357 1.00 25.55 O ATOM 295 CB ASP A 324 15.266 61.156 12.018 1.00 26.21 C ATOM 296 CG ASP A 324 14.985 62.551 11.482 1.00 28.68 C ATOM 297 OD1 ASP A 324 13.999 62.752 10.733 1.00 29.04 O ATOM 298 OD2 ASP A 324 15.762 63.435 11.878 1.00 27.61 O ATOM 299 H ASP A 324 13.890 60.642 9.646 1.00 0.00 H ATOM 300 N SER A 325 11.699 60.208 11.693 1.00 29.55 N ATOM 301 CA SER A 325 10.330 60.449 12.261 1.00 30.58 C ATOM 302 C SER A 325 10.159 59.962 13.669 1.00 33.97 C ATOM 303 O SER A 325 9.439 60.574 14.431 1.00 33.32 O ATOM 304 CB SER A 325 9.265 59.678 11.460 1.00 33.36 C ATOM 305 OG SER A 325 9.289 60.038 10.110 1.00 42.59 O ATOM 306 HG SER A 325 10.180 59.833 9.731 1.00 0.00 H ATOM 307 H SER A 325 11.781 59.690 10.795 1.00 0.00 H ATOM 308 N ASN A 326 10.692 58.781 13.973 1.00 27.10 N ATOM 309 CA ASN A 326 10.504 58.150 15.245 1.00 29.29 C ATOM 310 C ASN A 326 11.689 58.614 16.105 1.00 29.40 C ATOM 311 O ASN A 326 12.821 58.590 15.624 1.00 31.65 O ATOM 312 CB ASN A 326 10.434 56.629 15.022 1.00 27.08 C ATOM 313 CG ASN A 326 10.193 55.838 16.293 1.00 27.05 C ATOM 314 OD1 ASN A 326 10.994 55.825 17.239 1.00 23.81 O ATOM 315 ND2 ASN A 326 9.033 55.182 16.336 1.00 29.24 N ATOM 316 HD22 ASN A 326 8.386 55.216 15.523 1.00 0.00 H ATOM 317 HD21 ASN A 326 8.775 54.636 17.183 1.00 0.00 H ATOM 318 H ASN A 326 11.269 58.296 13.257 1.00 0.00 H ATOM 319 N GLU A 327 11.459 59.017 17.351 1.00 27.70 N ATOM 320 CA GLU A 327 12.517 59.543 18.255 1.00 29.04 C ATOM 321 C GLU A 327 13.509 58.450 18.647 1.00 28.07 C ATOM 322 O GLU A 327 14.698 58.735 18.918 1.00 26.81 O ATOM 323 CB GLU A 327 11.960 60.218 19.565 1.00 28.69 C ATOM 324 H GLU A 327 10.486 58.961 17.714 1.00 0.00 H ATOM 325 N ASP A 328 13.003 57.212 18.730 1.00 23.60 N ATOM 326 CA ASP A 328 13.821 56.141 19.264 1.00 25.34 C ATOM 327 C ASP A 328 14.501 55.272 18.230 1.00 23.55 C ATOM 328 O ASP A 328 15.604 54.817 18.514 1.00 21.19 O ATOM 329 CB ASP A 328 12.962 55.219 20.125 1.00 27.88 C ATOM 330 CG ASP A 328 12.383 55.924 21.331 1.00 29.20 C ATOM 331 OD1 ASP A 328 13.098 56.737 21.939 1.00 29.58 O ATOM 332 OD2 ASP A 328 11.220 55.616 21.658 1.00 36.28 O ATOM 333 H ASP A 328 12.031 57.021 18.414 1.00 0.00 H ATOM 334 N TRP A 329 13.854 55.060 17.088 1.00 20.90 N ATOM 335 CA TRP A 329 14.285 54.137 16.051 1.00 22.76 C ATOM 336 C TRP A 329 14.392 54.905 14.761 1.00 23.67 C ATOM 337 O TRP A 329 13.420 55.449 14.312 1.00 21.85 O ATOM 338 CB TRP A 329 13.284 52.967 15.881 1.00 23.44 C ATOM 339 CG TRP A 329 13.187 52.102 17.032 1.00 23.83 C ATOM 340 CD1 TRP A 329 12.224 52.106 17.975 1.00 25.19 C ATOM 341 CD2 TRP A 329 14.034 50.993 17.323 1.00 22.29 C ATOM 342 NE1 TRP A 329 12.448 51.138 18.900 1.00 24.80 N ATOM 343 CE2 TRP A 329 13.522 50.379 18.491 1.00 22.99 C ATOM 344 CE3 TRP A 329 15.204 50.469 16.714 1.00 20.03 C ATOM 345 CZ2 TRP A 329 14.152 49.324 19.114 1.00 19.20 C ATOM 346 CZ3 TRP A 329 15.794 49.379 17.274 1.00 19.54 C ATOM 347 CH2 TRP A 329 15.273 48.804 18.502 1.00 19.82 C ATOM 348 HE1 TRP A 329 11.900 50.994 19.772 1.00 0.00 H ATOM 349 H TRP A 329 12.976 55.593 16.925 1.00 0.00 H ATOM 350 N TRP A 330 15.596 54.990 14.182 1.00 21.83 N ATOM 351 CA TRP A 330 15.814 55.587 12.887 1.00 19.15 C ATOM 352 C TRP A 330 16.018 54.574 11.788 1.00 18.81 C ATOM 353 O TRP A 330 16.521 53.451 12.012 1.00 19.31 O ATOM 354 CB TRP A 330 17.084 56.466 12.948 1.00 20.24 C ATOM 355 CG TRP A 330 16.907 57.748 13.785 1.00 21.27 C ATOM 356 CD1 TRP A 330 15.706 58.186 14.386 1.00 22.77 C ATOM 357 CD2 TRP A 330 17.892 58.727 14.123 1.00 20.20 C ATOM 358 NE1 TRP A 330 15.922 59.352 15.039 1.00 24.04 N ATOM 359 CE2 TRP A 330 17.224 59.743 14.870 1.00 23.32 C ATOM 360 CE3 TRP A 330 19.234 58.874 13.823 1.00 23.02 C ATOM 361 CZ2 TRP A 330 17.890 60.846 15.404 1.00 25.49 C ATOM 362 CZ3 TRP A 330 19.905 59.977 14.337 1.00 24.81 C ATOM 363 CH2 TRP A 330 19.219 60.939 15.138 1.00 26.99 C ATOM 364 HE1 TRP A 330 15.207 59.873 15.586 1.00 0.00 H ATOM 365 H TRP A 330 16.417 54.606 14.692 1.00 0.00 H ATOM 366 N LYS A 331 15.677 54.966 10.586 1.00 18.91 N ATOM 367 CA LYS A 331 15.968 54.189 9.419 1.00 19.67 C ATOM 368 C LYS A 331 17.149 54.799 8.719 1.00 19.03 C ATOM 369 O LYS A 331 17.267 56.020 8.590 1.00 21.25 O ATOM 370 CB LYS A 331 14.759 54.128 8.481 1.00 22.07 C ATOM 371 CG LYS A 331 14.940 53.223 7.294 1.00 21.80 C ATOM 372 CD LYS A 331 13.642 53.227 6.467 1.00 28.02 C ATOM 373 CE LYS A 331 13.699 52.102 5.446 1.00 31.53 C ATOM 374 NZ LYS A 331 12.548 52.181 4.494 1.00 38.75 N ATOM 375 HZ1 LYS A 331 11.656 52.106 5.023 1.00 0.00 H ATOM 376 HZ2 LYS A 331 12.578 53.090 3.990 1.00 0.00 H ATOM 377 HZ3 LYS A 331 12.612 51.401 3.809 1.00 0.00 H ATOM 378 H LYS A 331 15.178 55.872 10.475 1.00 0.00 H ATOM 379 N GLY A 332 18.061 53.962 8.281 1.00 17.80 N ATOM 380 CA GLY A 332 19.224 54.405 7.540 1.00 17.02 C ATOM 381 C GLY A 332 19.882 53.299 6.736 1.00 17.89 C ATOM 382 O GLY A 332 19.373 52.189 6.635 1.00 17.70 O ATOM 383 H GLY A 332 17.944 52.946 8.473 1.00 0.00 H ATOM 384 N LYS A 333 20.947 53.676 6.024 1.00 18.36 N ATOM 385 CA LYS A 333 21.624 52.802 5.101 1.00 18.09 C ATOM 386 C LYS A 333 23.057 52.764 5.419 1.00 18.82 C ATOM 387 O LYS A 333 23.680 53.795 5.585 1.00 17.36 O ATOM 388 CB LYS A 333 21.455 53.370 3.690 1.00 18.42 C ATOM 389 CG LYS A 333 22.015 52.612 2.533 1.00 22.21 C ATOM 390 CD LYS A 333 21.295 53.030 1.225 1.00 27.00 C ATOM 391 CE LYS A 333 21.880 52.438 -0.043 1.00 30.82 C ATOM 392 NZ LYS A 333 22.378 51.032 0.100 1.00 36.21 N ATOM 393 HZ1 LYS A 333 23.126 51.002 0.822 1.00 0.00 H ATOM 394 HZ2 LYS A 333 21.592 50.415 0.388 1.00 0.00 H ATOM 395 HZ3 LYS A 333 22.760 50.707 -0.811 1.00 0.00 H ATOM 396 H LYS A 333 21.304 54.646 6.141 1.00 0.00 H ATOM 397 N ILE A 334 23.613 51.573 5.499 1.00 16.31 N ATOM 398 CA ILE A 334 25.053 51.309 5.577 1.00 18.07 C ATOM 399 C ILE A 334 25.391 50.450 4.375 1.00 17.99 C ATOM 400 O ILE A 334 24.803 49.394 4.177 1.00 18.22 O ATOM 401 CB ILE A 334 25.445 50.506 6.838 1.00 17.05 C ATOM 402 CG1 ILE A 334 25.173 51.314 8.067 1.00 18.31 C ATOM 403 CG2 ILE A 334 26.931 50.148 6.808 1.00 16.78 C ATOM 404 CD1 ILE A 334 25.159 50.559 9.361 1.00 18.83 C ATOM 405 H ILE A 334 22.977 50.750 5.508 1.00 0.00 H ATOM 406 N GLY A 335 26.322 50.888 3.528 1.00 19.11 N ATOM 407 CA GLY A 335 26.749 50.074 2.402 1.00 18.79 C ATOM 408 C GLY A 335 25.608 49.736 1.489 1.00 19.35 C ATOM 409 O GLY A 335 25.040 50.649 0.900 1.00 17.70 O ATOM 410 H GLY A 335 26.749 51.825 3.675 1.00 0.00 H ATOM 411 N ASP A 336 25.326 48.432 1.370 1.00 19.49 N ATOM 412 CA ASP A 336 24.286 47.867 0.546 1.00 20.78 C ATOM 413 C ASP A 336 22.993 47.569 1.316 1.00 21.13 C ATOM 414 O ASP A 336 22.079 46.912 0.744 1.00 22.02 O ATOM 415 CB ASP A 336 24.863 46.498 0.025 1.00 21.66 C ATOM 416 CG ASP A 336 24.084 45.931 -1.098 1.00 27.79 C ATOM 417 OD1 ASP A 336 23.601 46.714 -1.970 1.00 26.06 O ATOM 418 OD2 ASP A 336 23.961 44.687 -1.116 1.00 27.50 O ATOM 419 H ASP A 336 25.908 47.769 1.920 1.00 0.00 H ATOM 420 N ARG A 337 22.927 47.945 2.596 1.00 17.85 N ATOM 421 CA ARG A 337 21.827 47.567 3.496 1.00 18.52 C ATOM 422 C ARG A 337 21.047 48.700 4.056 1.00 20.87 C ATOM 423 O ARG A 337 21.586 49.792 4.304 1.00 20.57 O ATOM 424 CB ARG A 337 22.415 46.781 4.670 1.00 16.39 C ATOM 425 CG ARG A 337 23.017 45.462 4.266 1.00 18.02 C ATOM 426 CD ARG A 337 23.796 44.762 5.333 1.00 18.43 C ATOM 427 NE ARG A 337 24.948 45.566 5.761 1.00 18.78 N ATOM 428 CZ ARG A 337 25.190 46.043 6.960 1.00 16.47 C ATOM 429 NH1 ARG A 337 24.316 45.926 7.984 1.00 16.19 N ATOM 430 NH2 ARG A 337 26.286 46.764 7.133 1.00 20.59 N ATOM 431 HE ARG A 337 25.654 45.783 5.029 1.00 0.00 H ATOM 432 HH12 ARG A 337 24.552 46.320 8.917 1.00 0.00 H ATOM 433 HH11 ARG A 337 23.407 45.442 7.839 1.00 0.00 H ATOM 434 HH22 ARG A 337 26.508 47.157 8.070 1.00 0.00 H ATOM 435 HH21 ARG A 337 26.926 46.938 6.332 1.00 0.00 H ATOM 436 H ARG A 337 23.694 48.536 2.976 1.00 0.00 H ATOM 437 N VAL A 338 19.741 48.447 4.309 1.00 18.17 N ATOM 438 CA VAL A 338 18.847 49.461 4.844 1.00 18.99 C ATOM 439 C VAL A 338 18.061 48.856 5.997 1.00 18.02 C ATOM 440 O VAL A 338 17.744 47.656 5.953 1.00 19.09 O ATOM 441 CB VAL A 338 17.913 49.990 3.732 1.00 20.58 C ATOM 442 CG1 VAL A 338 16.993 48.895 3.241 1.00 21.49 C ATOM 443 CG2 VAL A 338 17.132 51.210 4.193 1.00 23.04 C ATOM 444 H VAL A 338 19.365 47.497 4.114 1.00 0.00 H ATOM 445 N GLY A 339 17.796 49.644 7.011 1.00 17.51 N ATOM 446 CA GLY A 339 16.956 49.190 8.069 1.00 18.92 C ATOM 447 C GLY A 339 16.867 50.096 9.251 1.00 19.95 C ATOM 448 O GLY A 339 17.404 51.244 9.237 1.00 18.11 O ATOM 449 H GLY A 339 18.200 50.602 7.043 1.00 0.00 H ATOM 450 N PHE A 340 16.285 49.581 10.350 1.00 18.17 N ATOM 451 CA PHE A 340 16.139 50.351 11.550 1.00 18.86 C ATOM 452 C PHE A 340 17.185 50.069 12.620 1.00 16.33 C ATOM 453 O PHE A 340 17.660 48.943 12.769 1.00 16.46 O ATOM 454 CB PHE A 340 14.770 50.129 12.184 1.00 20.44 C ATOM 455 CG PHE A 340 13.644 50.645 11.328 1.00 25.85 C ATOM 456 CD1 PHE A 340 13.264 51.991 11.354 1.00 24.33 C ATOM 457 CD2 PHE A 340 13.039 49.808 10.423 1.00 31.88 C ATOM 458 CE1 PHE A 340 12.219 52.431 10.521 1.00 28.19 C ATOM 459 CE2 PHE A 340 12.000 50.255 9.626 1.00 33.07 C ATOM 460 CZ PHE A 340 11.638 51.575 9.648 1.00 30.26 C ATOM 461 H PHE A 340 15.933 48.602 10.328 1.00 0.00 H ATOM 462 N PHE A 341 17.508 51.092 13.394 1.00 15.92 N ATOM 463 CA PHE A 341 18.481 50.995 14.474 1.00 17.35 C ATOM 464 C PHE A 341 18.215 52.029 15.554 1.00 18.00 C ATOM 465 O PHE A 341 17.465 53.005 15.258 1.00 18.53 O ATOM 466 CB PHE A 341 19.895 51.157 13.900 1.00 16.30 C ATOM 467 CG PHE A 341 20.117 52.471 13.248 1.00 17.52 C ATOM 468 CD1 PHE A 341 20.461 53.544 13.958 1.00 17.04 C ATOM 469 CD2 PHE A 341 19.846 52.636 11.890 1.00 18.18 C ATOM 470 CE1 PHE A 341 20.584 54.774 13.392 1.00 18.28 C ATOM 471 CE2 PHE A 341 19.957 53.861 11.310 1.00 17.64 C ATOM 472 CZ PHE A 341 20.324 54.923 12.049 1.00 17.21 C ATOM 473 H PHE A 341 17.046 52.008 13.224 1.00 0.00 H ATOM 474 N PRO A 342 18.742 51.823 16.760 1.00 16.25 N ATOM 475 CA PRO A 342 18.553 52.792 17.854 1.00 17.74 C ATOM 476 C PRO A 342 19.199 54.150 17.533 1.00 20.44 C ATOM 477 O PRO A 342 20.406 54.244 17.232 1.00 18.83 O ATOM 478 CB PRO A 342 19.234 52.147 19.070 1.00 18.13 C ATOM 479 CG PRO A 342 19.321 50.656 18.706 1.00 17.95 C ATOM 480 CD PRO A 342 19.580 50.709 17.227 1.00 17.40 C ATOM 481 N ALA A 343 18.390 55.176 17.552 1.00 20.11 N ATOM 482 CA ALA A 343 18.899 56.525 17.291 1.00 20.83 C ATOM 483 C ALA A 343 20.017 56.920 18.221 1.00 18.85 C ATOM 484 O ALA A 343 20.935 57.618 17.789 1.00 23.64 O ATOM 485 CB ALA A 343 17.768 57.539 17.412 1.00 21.84 C ATOM 486 H ALA A 343 17.380 55.034 17.753 1.00 0.00 H ATOM 487 N ASN A 344 19.971 56.447 19.466 1.00 20.15 N ATOM 488 CA ASN A 344 21.008 56.773 20.459 1.00 22.00 C ATOM 489 C ASN A 344 22.319 56.004 20.268 1.00 19.21 C ATOM 490 O ASN A 344 23.202 56.127 21.104 1.00 19.95 O ATOM 491 CB ASN A 344 20.492 56.682 21.949 1.00 25.48 C ATOM 492 CG ASN A 344 20.058 55.301 22.393 1.00 30.67 C ATOM 493 OD1 ASN A 344 20.061 54.340 21.646 1.00 36.46 O ATOM 494 ND2 ASN A 344 19.623 55.204 23.668 1.00 34.65 N ATOM 495 HD22 ASN A 344 19.631 56.041 24.285 1.00 0.00 H ATOM 496 HD21 ASN A 344 19.280 54.292 24.032 1.00 0.00 H ATOM 497 H ASN A 344 19.181 55.831 19.744 1.00 0.00 H ATOM 498 N PHE A 345 22.419 55.174 19.223 1.00 18.18 N ATOM 499 CA PHE A 345 23.593 54.319 18.993 1.00 16.82 C ATOM 500 C PHE A 345 24.518 55.017 17.974 1.00 16.40 C ATOM 501 O PHE A 345 25.572 54.461 17.647 1.00 16.55 O ATOM 502 CB PHE A 345 23.237 52.899 18.462 1.00 15.78 C ATOM 503 CG PHE A 345 22.985 51.881 19.523 1.00 16.66 C ATOM 504 CD1 PHE A 345 22.281 52.235 20.721 1.00 19.06 C ATOM 505 CD2 PHE A 345 23.501 50.585 19.449 1.00 19.74 C ATOM 506 CE1 PHE A 345 22.044 51.281 21.723 1.00 20.35 C ATOM 507 CE2 PHE A 345 23.288 49.658 20.476 1.00 18.61 C ATOM 508 CZ PHE A 345 22.572 50.022 21.606 1.00 20.93 C ATOM 509 H PHE A 345 21.632 55.132 18.544 1.00 0.00 H ATOM 510 N VAL A 346 24.131 56.192 17.480 1.00 15.73 N ATOM 511 CA VAL A 346 24.889 56.827 16.407 1.00 17.12 C ATOM 512 C VAL A 346 25.269 58.272 16.758 1.00 18.56 C ATOM 513 O VAL A 346 24.679 58.846 17.637 1.00 19.32 O ATOM 514 CB VAL A 346 24.149 56.730 15.067 1.00 19.81 C ATOM 515 CG1 VAL A 346 23.770 55.283 14.786 1.00 18.98 C ATOM 516 CG2 VAL A 346 22.964 57.661 14.977 1.00 19.31 C ATOM 517 H VAL A 346 23.284 56.659 17.861 1.00 0.00 H ATOM 518 N GLN A 347 26.245 58.805 16.036 1.00 16.99 N ATOM 519 CA GLN A 347 26.806 60.142 16.236 1.00 20.48 C ATOM 520 C GLN A 347 26.844 60.819 14.867 1.00 21.78 C ATOM 521 O GLN A 347 27.319 60.272 13.897 1.00 19.48 O ATOM 522 CB GLN A 347 28.245 60.002 16.797 1.00 20.34 C ATOM 523 CG GLN A 347 29.139 61.247 16.793 1.00 23.34 C ATOM 524 CD GLN A 347 28.603 62.323 17.644 1.00 26.82 C ATOM 525 OE1 GLN A 347 28.381 62.072 18.819 1.00 29.95 O ATOM 526 NE2 GLN A 347 28.374 63.534 17.077 1.00 29.60 N ATOM 527 HE22 GLN A 347 28.584 63.685 16.070 1.00 0.00 H ATOM 528 HE21 GLN A 347 27.988 64.312 17.650 1.00 0.00 H ATOM 529 H GLN A 347 26.643 58.228 15.268 1.00 0.00 H ATOM 530 N ARG A 348 26.395 62.056 14.804 1.00 18.72 N ATOM 531 CA ARG A 348 26.522 62.851 13.610 1.00 20.57 C ATOM 532 C ARG A 348 27.983 63.046 13.200 1.00 19.06 C ATOM 533 O ARG A 348 28.856 63.307 14.032 1.00 20.41 O ATOM 534 CB ARG A 348 25.893 64.216 13.876 1.00 23.05 C ATOM 535 CG ARG A 348 25.783 65.098 12.674 1.00 24.63 C ATOM 536 CD ARG A 348 24.640 64.725 11.731 1.00 25.15 C ATOM 537 NE ARG A 348 24.714 65.720 10.685 1.00 24.77 N ATOM 538 CZ ARG A 348 24.197 66.929 10.817 1.00 25.86 C ATOM 539 NH1 ARG A 348 23.518 67.225 11.920 1.00 24.38 N ATOM 540 NH2 ARG A 348 24.352 67.842 9.872 1.00 25.19 N ATOM 541 HE ARG A 348 25.192 65.475 9.795 1.00 0.00 H ATOM 542 HH12 ARG A 348 23.105 68.172 12.038 1.00 0.00 H ATOM 543 HH11 ARG A 348 23.399 66.509 12.665 1.00 0.00 H ATOM 544 HH22 ARG A 348 23.939 68.789 9.991 1.00 0.00 H ATOM 545 HH21 ARG A 348 24.887 67.613 9.010 1.00 0.00 H ATOM 546 H ARG A 348 25.936 62.470 15.640 1.00 0.00 H ATOM 547 N VAL A 349 28.239 62.995 11.902 1.00 18.93 N ATOM 548 CA VAL A 349 29.532 63.304 11.346 1.00 18.33 C ATOM 549 C VAL A 349 29.270 64.484 10.385 1.00 21.29 C ATOM 550 O VAL A 349 28.629 64.319 9.314 1.00 20.46 O ATOM 551 CB VAL A 349 30.129 62.141 10.559 1.00 19.42 C ATOM 552 CG1 VAL A 349 31.499 62.504 9.954 1.00 18.42 C ATOM 553 CG2 VAL A 349 30.301 60.929 11.462 1.00 21.13 C ATOM 554 H VAL A 349 27.473 62.720 11.255 1.00 0.00 H ATOM 555 N ARG A 350 29.760 65.677 10.760 1.00 20.98 N ATOM 556 CA ARG A 350 29.539 66.853 9.908 1.00 23.69 C ATOM 557 C ARG A 350 30.639 67.009 8.895 1.00 22.18 C ATOM 558 O ARG A 350 31.723 66.431 9.017 1.00 20.47 O ATOM 559 CB ARG A 350 29.428 68.134 10.776 1.00 23.10 C ATOM 560 CG ARG A 350 28.274 68.115 11.713 1.00 27.99 C ATOM 561 CD ARG A 350 28.324 69.204 12.768 1.00 31.74 C ATOM 562 NE ARG A 350 26.998 69.228 13.403 1.00 38.38 N ATOM 563 CZ ARG A 350 26.646 68.554 14.512 1.00 40.78 C ATOM 564 NH1 ARG A 350 27.509 67.847 15.243 1.00 42.46 N ATOM 565 NH2 ARG A 350 25.400 68.640 14.929 1.00 45.12 N ATOM 566 HE ARG A 350 26.268 69.818 12.955 1.00 0.00 H ATOM 567 HH12 ARG A 350 27.181 67.345 16.093 1.00 0.00 H ATOM 568 HH11 ARG A 350 28.510 67.798 14.963 1.00 0.00 H ATOM 569 HH22 ARG A 350 25.101 68.129 15.784 1.00 0.00 H ATOM 570 HH21 ARG A 350 24.715 69.219 14.403 1.00 0.00 H ATOM 571 H ARG A 350 30.293 65.768 11.649 1.00 0.00 H ATOM 572 N PRO A 351 30.374 67.786 7.810 1.00 24.94 N ATOM 573 CA PRO A 351 31.375 67.909 6.747 1.00 23.48 C ATOM 574 C PRO A 351 32.701 68.413 7.336 1.00 25.58 C ATOM 575 O PRO A 351 32.716 69.235 8.227 1.00 30.10 O ATOM 576 CB PRO A 351 30.742 68.950 5.794 1.00 24.06 C ATOM 577 CG PRO A 351 29.282 68.888 6.048 1.00 26.07 C ATOM 578 CD PRO A 351 29.115 68.508 7.511 1.00 24.88 C ATOM 579 N GLY A 352 33.806 67.860 6.937 1.00 27.47 N ATOM 580 CA GLY A 352 35.064 68.323 7.506 1.00 32.70 C ATOM 581 C GLY A 352 35.476 67.522 8.733 1.00 35.44 C ATOM 582 O GLY A 352 36.613 67.601 9.140 1.00 30.02 O ATOM 583 H GLY A 352 33.793 67.102 6.225 1.00 0.00 H ATOM 584 N GLU A 353 34.573 66.748 9.339 1.00 26.87 N ATOM 585 CA GLU A 353 34.971 65.997 10.561 1.00 22.37 C ATOM 586 C GLU A 353 35.471 64.665 10.224 1.00 23.27 C ATOM 587 O GLU A 353 34.992 64.043 9.280 1.00 24.00 O ATOM 588 CB GLU A 353 33.778 65.874 11.509 1.00 24.17 C ATOM 589 CG GLU A 353 33.238 67.220 11.904 1.00 25.83 C ATOM 590 CD GLU A 353 32.234 67.116 13.017 1.00 30.03 C ATOM 591 OE1 GLU A 353 31.271 66.306 12.896 1.00 23.31 O ATOM 592 OE2 GLU A 353 32.397 67.819 14.039 1.00 33.53 O ATOM 593 H GLU A 353 33.606 66.671 8.963 1.00 0.00 H ATOM 594 N ASN A 354 36.440 64.198 10.987 1.00 22.46 N ATOM 595 CA ASN A 354 36.990 62.885 10.872 1.00 21.88 C ATOM 596 C ASN A 354 36.333 61.960 11.942 1.00 20.78 C ATOM 597 O ASN A 354 35.778 62.441 12.944 1.00 19.85 O ATOM 598 CB ASN A 354 38.523 62.973 11.130 1.00 24.44 C ATOM 599 CG ASN A 354 39.209 63.996 10.220 1.00 29.78 C ATOM 600 OD1 ASN A 354 39.404 65.198 10.582 1.00 36.92 O ATOM 601 ND2 ASN A 354 39.496 63.581 9.036 1.00 32.10 N ATOM 602 HD22 ASN A 354 39.322 62.589 8.776 1.00 0.00 H ATOM 603 HD21 ASN A 354 39.902 64.238 8.339 1.00 0.00 H ATOM 604 H ASN A 354 36.828 64.826 11.719 1.00 0.00 H ATOM 605 N VAL A 355 36.397 60.653 11.681 1.00 19.19 N ATOM 606 CA VAL A 355 35.962 59.610 12.597 1.00 19.96 C ATOM 607 C VAL A 355 37.194 58.896 13.073 1.00 17.18 C ATOM 608 O VAL A 355 38.058 58.559 12.309 1.00 19.26 O ATOM 609 CB VAL A 355 35.036 58.610 11.897 1.00 20.06 C ATOM 610 CG1 VAL A 355 34.519 57.601 12.891 1.00 20.68 C ATOM 611 CG2 VAL A 355 33.846 59.374 11.264 1.00 21.35 C ATOM 612 H VAL A 355 36.784 60.360 10.761 1.00 0.00 H ATOM 613 N TRP A 356 37.221 58.620 14.371 1.00 16.54 N ATOM 614 CA TRP A 356 38.349 58.026 15.014 1.00 17.74 C ATOM 615 C TRP A 356 37.928 56.873 15.895 1.00 17.29 C ATOM 616 O TRP A 356 36.816 56.860 16.437 1.00 17.37 O ATOM 617 CB TRP A 356 39.027 59.051 15.936 1.00 20.14 C ATOM 618 CG TRP A 356 39.192 60.441 15.365 1.00 20.87 C ATOM 619 CD1 TRP A 356 38.320 61.481 15.434 1.00 22.03 C ATOM 620 CD2 TRP A 356 40.340 60.921 14.754 1.00 22.18 C ATOM 621 NE1 TRP A 356 38.811 62.561 14.784 1.00 26.26 N ATOM 622 CE2 TRP A 356 40.092 62.241 14.376 1.00 22.68 C ATOM 623 CE3 TRP A 356 41.540 60.340 14.426 1.00 21.56 C ATOM 624 CZ2 TRP A 356 41.009 63.007 13.724 1.00 25.90 C ATOM 625 CZ3 TRP A 356 42.484 61.118 13.806 1.00 24.04 C ATOM 626 CH2 TRP A 356 42.215 62.423 13.434 1.00 30.49 C ATOM 627 HE1 TRP A 356 38.318 63.462 14.622 1.00 0.00 H ATOM 628 H TRP A 356 36.384 58.846 14.945 1.00 0.00 H ATOM 629 N ARG A 357 38.842 55.929 16.074 1.00 17.25 N ATOM 630 CA ARG A 357 38.751 54.923 17.105 1.00 18.74 C ATOM 631 C ARG A 357 39.908 55.084 18.100 1.00 17.33 C ATOM 632 O ARG A 357 41.050 55.286 17.719 1.00 19.99 O ATOM 633 CB ARG A 357 38.808 53.527 16.512 1.00 21.51 C ATOM 634 CG ARG A 357 38.675 52.441 17.572 1.00 22.74 C ATOM 635 CD ARG A 357 38.950 51.023 17.109 1.00 23.39 C ATOM 636 NE ARG A 357 39.586 51.025 15.819 1.00 25.96 N ATOM 637 CZ ARG A 357 40.861 50.819 15.590 1.00 24.85 C ATOM 638 NH1 ARG A 357 41.711 50.548 16.578 1.00 26.46 N ATOM 639 NH2 ARG A 357 41.270 50.858 14.342 1.00 21.96 N ATOM 640 HE ARG A 357 38.980 51.206 14.993 1.00 0.00 H ATOM 641 HH12 ARG A 357 42.717 50.389 16.369 1.00 0.00 H ATOM 642 HH11 ARG A 357 41.369 50.496 17.559 1.00 0.00 H ATOM 643 HH22 ARG A 357 42.273 50.700 14.118 1.00 0.00 H ATOM 644 HH21 ARG A 357 40.590 51.047 13.578 1.00 0.00 H ATOM 645 H ARG A 357 39.666 55.913 15.440 1.00 0.00 H ATOM 646 N CYS A 358 39.621 54.968 19.376 1.00 15.24 N ATOM 647 CA CYS A 358 40.663 55.010 20.419 1.00 15.45 C ATOM 648 C CYS A 358 41.565 53.785 20.410 1.00 17.86 C ATOM 649 O CYS A 358 41.082 52.642 20.502 1.00 17.38 O ATOM 650 CB CYS A 358 40.051 55.213 21.797 1.00 14.63 C ATOM 651 SG CYS A 358 41.238 55.165 23.132 1.00 18.05 S ATOM 652 H CYS A 358 38.628 54.843 19.660 1.00 0.00 H ATOM 653 N CYS A 359 42.856 54.045 20.217 1.00 16.98 N ATOM 654 CA CYS A 359 43.860 53.022 20.241 1.00 18.33 C ATOM 655 C CYS A 359 44.605 52.953 21.595 1.00 18.52 C ATOM 656 O CYS A 359 45.148 51.905 21.939 1.00 23.77 O ATOM 657 CB CYS A 359 44.838 53.153 19.063 1.00 19.92 C ATOM 658 SG CYS A 359 45.669 54.701 18.943 1.00 25.20 S ATOM 659 H CYS A 359 43.148 55.028 20.042 1.00 0.00 H ATOM 660 N GLN A 360 44.660 54.019 22.348 1.00 17.23 N ATOM 661 CA GLN A 360 45.313 54.056 23.667 1.00 19.60 C ATOM 662 C GLN A 360 44.448 54.806 24.639 1.00 17.86 C ATOM 663 O GLN A 360 44.120 55.966 24.425 1.00 18.16 O ATOM 664 CB GLN A 360 46.681 54.779 23.613 1.00 24.43 C ATOM 665 CG GLN A 360 47.762 54.029 22.875 1.00 30.19 C ATOM 666 CD GLN A 360 48.161 52.771 23.621 1.00 32.37 C ATOM 667 OE1 GLN A 360 48.055 52.646 24.881 1.00 37.85 O ATOM 668 NE2 GLN A 360 48.606 51.841 22.875 1.00 35.92 N ATOM 669 HE22 GLN A 360 48.676 51.987 21.848 1.00 0.00 H ATOM 670 HE21 GLN A 360 48.900 50.935 23.293 1.00 0.00 H ATOM 671 H GLN A 360 44.217 54.892 21.996 1.00 0.00 H ATOM 672 N PRO A 361 44.007 54.136 25.701 1.00 17.97 N ATOM 673 CA PRO A 361 43.042 54.826 26.586 1.00 17.17 C ATOM 674 C PRO A 361 43.540 56.083 27.228 1.00 16.51 C ATOM 675 O PRO A 361 44.750 56.187 27.499 1.00 17.95 O ATOM 676 CB PRO A 361 42.722 53.809 27.663 1.00 18.93 C ATOM 677 CG PRO A 361 43.868 52.926 27.663 1.00 21.81 C ATOM 678 CD PRO A 361 44.361 52.820 26.191 1.00 20.79 C ATOM 679 N PHE A 362 42.607 56.967 27.514 1.00 16.32 N ATOM 680 CA PHE A 362 42.972 58.290 28.023 1.00 16.43 C ATOM 681 C PHE A 362 41.949 58.631 29.107 1.00 17.04 C ATOM 682 O PHE A 362 40.729 58.546 28.894 1.00 17.00 O ATOM 683 CB PHE A 362 42.959 59.345 26.958 1.00 16.45 C ATOM 684 CG PHE A 362 43.124 60.771 27.477 1.00 15.30 C ATOM 685 CD1 PHE A 362 44.376 61.255 27.951 1.00 15.19 C ATOM 686 CD2 PHE A 362 42.038 61.626 27.534 1.00 17.22 C ATOM 687 CE1 PHE A 362 44.488 62.542 28.421 1.00 16.09 C ATOM 688 CE2 PHE A 362 42.177 62.935 28.002 1.00 17.24 C ATOM 689 CZ PHE A 362 43.409 63.368 28.445 1.00 15.92 C ATOM 690 H PHE A 362 41.605 56.724 27.377 1.00 0.00 H ATOM 691 N SER A 363 42.468 59.029 30.273 1.00 14.66 N ATOM 692 CA SER A 363 41.616 59.454 31.397 1.00 16.41 C ATOM 693 C SER A 363 41.368 60.969 31.280 1.00 17.34 C ATOM 694 O SER A 363 42.312 61.779 31.372 1.00 16.36 O ATOM 695 CB SER A 363 42.323 59.157 32.666 1.00 17.05 C ATOM 696 OG SER A 363 42.515 57.760 32.804 1.00 19.84 O ATOM 697 HG SER A 363 42.987 57.575 33.654 1.00 0.00 H ATOM 698 H SER A 363 43.501 59.039 30.390 1.00 0.00 H ATOM 699 N GLY A 364 40.101 61.365 31.176 1.00 15.95 N ATOM 700 CA GLY A 364 39.734 62.720 31.029 1.00 17.06 C ATOM 701 C GLY A 364 39.527 63.359 32.425 1.00 16.99 C ATOM 702 O GLY A 364 39.922 62.812 33.446 1.00 20.73 O ATOM 703 H GLY A 364 39.350 60.646 31.204 1.00 0.00 H ATOM 704 N ASN A 365 38.996 64.526 32.404 1.00 17.20 N ATOM 705 CA ASN A 365 38.759 65.333 33.592 1.00 18.13 C ATOM 706 C ASN A 365 37.663 66.286 33.301 1.00 19.53 C ATOM 707 O ASN A 365 37.763 67.147 32.423 1.00 16.99 O ATOM 708 CB ASN A 365 40.079 66.042 34.005 1.00 18.84 C ATOM 709 CG ASN A 365 39.917 66.903 35.253 1.00 16.64 C ATOM 710 OD1 ASN A 365 39.274 67.940 35.223 1.00 19.93 O ATOM 711 ND2 ASN A 365 40.623 66.520 36.340 1.00 20.97 N ATOM 712 HD22 ASN A 365 41.158 65.628 36.325 1.00 0.00 H ATOM 713 HD21 ASN A 365 40.631 67.117 37.192 1.00 0.00 H ATOM 714 H ASN A 365 38.718 64.920 31.482 1.00 0.00 H ATOM 715 N LYS A 366 36.586 66.200 34.078 1.00 21.94 N ATOM 716 CA LYS A 366 35.387 67.022 33.837 1.00 25.61 C ATOM 717 C LYS A 366 35.601 68.509 33.945 1.00 22.60 C ATOM 718 O LYS A 366 35.162 69.250 33.113 1.00 22.39 O ATOM 719 CB LYS A 366 34.239 66.634 34.814 1.00 30.29 C ATOM 720 CG LYS A 366 33.732 65.207 34.614 1.00 40.13 C ATOM 721 CD LYS A 366 32.429 64.896 35.392 1.00 40.94 C ATOM 722 CE LYS A 366 31.945 63.487 35.053 1.00 46.62 C ATOM 723 NZ LYS A 366 33.019 62.500 35.360 1.00 52.27 N ATOM 724 HZ1 LYS A 366 33.863 62.721 34.794 1.00 0.00 H ATOM 725 HZ2 LYS A 366 33.255 62.550 36.372 1.00 0.00 H ATOM 726 HZ3 LYS A 366 32.685 61.543 35.128 1.00 0.00 H ATOM 727 H LYS A 366 36.591 65.534 34.877 1.00 0.00 H ATOM 728 N GLU A 367 36.253 68.927 35.006 1.00 23.00 N ATOM 729 CA GLU A 367 36.560 70.379 35.268 1.00 24.57 C ATOM 730 C GLU A 367 37.424 70.990 34.152 1.00 20.74 C ATOM 731 O GLU A 367 37.256 72.103 33.773 1.00 22.94 O ATOM 732 CB GLU A 367 37.242 70.507 36.636 1.00 25.49 C ATOM 733 CG GLU A 367 37.489 71.977 37.058 1.00 31.42 C ATOM 734 CD GLU A 367 38.848 72.546 36.618 1.00 38.51 C ATOM 735 OE1 GLU A 367 39.758 71.730 36.306 1.00 38.86 O ATOM 736 OE2 GLU A 367 39.008 73.811 36.558 1.00 40.40 O ATOM 737 H GLU A 367 36.573 68.221 35.699 1.00 0.00 H ATOM 738 N GLN A 368 38.342 70.224 33.598 1.00 20.03 N ATOM 739 CA GLN A 368 39.159 70.664 32.453 1.00 18.66 C ATOM 740 C GLN A 368 38.430 70.618 31.110 1.00 21.02 C ATOM 741 O GLN A 368 38.882 71.260 30.164 1.00 19.81 O ATOM 742 CB GLN A 368 40.464 69.877 32.294 1.00 18.90 C ATOM 743 CG GLN A 368 41.397 69.922 33.499 1.00 18.20 C ATOM 744 CD GLN A 368 42.176 71.232 33.579 1.00 18.35 C ATOM 745 OE1 GLN A 368 43.062 71.450 32.760 1.00 19.10 O ATOM 746 NE2 GLN A 368 41.868 72.082 34.600 1.00 22.03 N ATOM 747 HE22 GLN A 368 41.105 71.842 35.264 1.00 0.00 H ATOM 748 HE21 GLN A 368 42.397 72.970 34.714 1.00 0.00 H ATOM 749 H GLN A 368 38.496 69.271 33.984 1.00 0.00 H ATOM 750 N GLY A 369 37.310 69.889 31.020 1.00 19.75 N ATOM 751 CA GLY A 369 36.665 69.599 29.730 1.00 19.81 C ATOM 752 C GLY A 369 37.435 68.614 28.858 1.00 16.82 C ATOM 753 O GLY A 369 37.338 68.735 27.624 1.00 15.79 O ATOM 754 H GLY A 369 36.882 69.515 31.891 1.00 0.00 H ATOM 755 N TYR A 370 38.181 67.694 29.494 1.00 16.23 N ATOM 756 CA TYR A 370 38.945 66.669 28.784 1.00 14.32 C ATOM 757 C TYR A 370 38.082 65.398 28.807 1.00 14.95 C ATOM 758 O TYR A 370 37.606 64.995 29.888 1.00 16.54 O ATOM 759 CB TYR A 370 40.280 66.422 29.394 1.00 15.55 C ATOM 760 CG TYR A 370 41.281 67.555 29.345 1.00 16.70 C ATOM 761 CD1 TYR A 370 41.017 68.718 28.748 1.00 15.91 C ATOM 762 CD2 TYR A 370 42.466 67.416 30.005 1.00 17.62 C ATOM 763 CE1 TYR A 370 41.960 69.725 28.700 1.00 16.88 C ATOM 764 CE2 TYR A 370 43.426 68.431 30.008 1.00 17.29 C ATOM 765 CZ TYR A 370 43.143 69.594 29.363 1.00 18.59 C ATOM 766 OH TYR A 370 44.048 70.604 29.309 1.00 19.29 O ATOM 767 HH TYR A 370 43.665 71.362 28.801 1.00 0.00 H ATOM 768 H TYR A 370 38.216 67.712 30.533 1.00 0.00 H ATOM 769 N MET A 371 37.775 64.850 27.632 1.00 15.93 N ATOM 770 CA MET A 371 36.907 63.654 27.557 1.00 16.49 C ATOM 771 C MET A 371 37.777 62.416 27.701 1.00 16.31 C ATOM 772 O MET A 371 38.852 62.294 27.097 1.00 16.37 O ATOM 773 CB MET A 371 36.131 63.617 26.207 1.00 16.79 C ATOM 774 CG MET A 371 34.980 62.574 26.215 1.00 19.34 C ATOM 775 SD MET A 371 34.290 62.414 24.567 1.00 22.40 S ATOM 776 CE MET A 371 35.501 61.439 23.777 1.00 20.96 C ATOM 777 H MET A 371 38.150 65.268 26.757 1.00 0.00 H ATOM 778 N SER A 372 37.296 61.477 28.496 1.00 16.14 N ATOM 779 CA SER A 372 37.883 60.135 28.579 1.00 15.22 C ATOM 780 C SER A 372 37.644 59.348 27.311 1.00 15.59 C ATOM 781 O SER A 372 36.637 59.559 26.611 1.00 16.02 O ATOM 782 CB SER A 372 37.306 59.316 29.752 1.00 16.35 C ATOM 783 OG SER A 372 37.652 59.862 31.007 1.00 17.06 O ATOM 784 HG SER A 372 37.261 59.306 31.727 1.00 0.00 H ATOM 785 H SER A 372 36.469 61.698 29.086 1.00 0.00 H ATOM 786 N LEU A 373 38.600 58.507 26.977 1.00 16.69 N ATOM 787 CA LEU A 373 38.506 57.585 25.843 1.00 16.34 C ATOM 788 C LEU A 373 38.876 56.228 26.342 1.00 16.99 C ATOM 789 O LEU A 373 39.958 56.021 26.911 1.00 16.72 O ATOM 790 CB LEU A 373 39.523 57.963 24.762 1.00 16.93 C ATOM 791 CG LEU A 373 39.110 59.262 24.022 1.00 16.37 C ATOM 792 CD1 LEU A 373 40.333 59.723 23.247 1.00 17.03 C ATOM 793 CD2 LEU A 373 37.977 58.998 23.071 1.00 17.49 C ATOM 794 H LEU A 373 39.469 58.497 27.549 1.00 0.00 H ATOM 795 N LYS A 374 38.040 55.232 26.106 1.00 17.21 N ATOM 796 CA LYS A 374 38.410 53.843 26.311 1.00 18.11 C ATOM 797 C LYS A 374 38.807 53.200 25.060 1.00 17.96 C ATOM 798 O LYS A 374 38.449 53.624 23.997 1.00 17.65 O ATOM 799 CB LYS A 374 37.287 53.052 26.998 1.00 23.57 C ATOM 800 CG LYS A 374 36.005 52.962 26.223 1.00 26.72 C ATOM 801 CD LYS A 374 34.987 52.269 27.179 1.00 34.08 C ATOM 802 CE LYS A 374 33.841 51.645 26.413 1.00 40.69 C ATOM 803 NZ LYS A 374 32.845 51.026 27.344 1.00 47.91 N ATOM 804 HZ1 LYS A 374 33.312 50.287 27.907 1.00 0.00 H ATOM 805 HZ2 LYS A 374 32.464 51.757 27.978 1.00 0.00 H ATOM 806 HZ3 LYS A 374 32.070 50.606 26.792 1.00 0.00 H ATOM 807 H LYS A 374 37.083 55.451 25.761 1.00 0.00 H ATOM 808 N GLU A 375 39.575 52.130 25.177 1.00 18.32 N ATOM 809 CA GLU A 375 40.038 51.445 23.985 1.00 19.11 C ATOM 810 C GLU A 375 38.818 51.068 23.081 1.00 19.65 C ATOM 811 O GLU A 375 37.797 50.609 23.589 1.00 17.37 O ATOM 812 CB GLU A 375 40.819 50.189 24.366 1.00 22.66 C ATOM 813 CG GLU A 375 41.420 49.550 23.118 1.00 28.07 C ATOM 814 CD GLU A 375 42.528 48.566 23.423 1.00 37.64 C ATOM 815 OE1 GLU A 375 42.694 48.254 24.625 1.00 45.73 O ATOM 816 OE2 GLU A 375 43.202 48.110 22.466 1.00 38.12 O ATOM 817 H GLU A 375 39.846 51.781 26.119 1.00 0.00 H ATOM 818 N ASN A 376 38.937 51.326 21.784 1.00 18.63 N ATOM 819 CA ASN A 376 37.911 51.042 20.739 1.00 18.57 C ATOM 820 C ASN A 376 36.698 51.972 20.734 1.00 17.35 C ATOM 821 O ASN A 376 35.808 51.847 19.884 1.00 18.19 O ATOM 822 CB ASN A 376 37.506 49.570 20.778 1.00 22.15 C ATOM 823 CG ASN A 376 38.695 48.677 20.453 1.00 23.43 C ATOM 824 OD1 ASN A 376 39.478 49.005 19.589 1.00 26.48 O ATOM 825 ND2 ASN A 376 38.828 47.573 21.137 1.00 27.33 N ATOM 826 HD22 ASN A 376 38.132 47.329 21.871 1.00 0.00 H ATOM 827 HD21 ASN A 376 39.629 46.938 20.948 1.00 0.00 H ATOM 828 H ASN A 376 39.825 51.765 21.468 1.00 0.00 H ATOM 829 N GLN A 377 36.720 52.977 21.587 1.00 17.07 N ATOM 830 CA GLN A 377 35.673 53.969 21.582 1.00 16.52 C ATOM 831 C GLN A 377 35.736 54.734 20.281 1.00 15.70 C ATOM 832 O GLN A 377 36.807 55.086 19.802 1.00 15.70 O ATOM 833 CB GLN A 377 35.815 54.925 22.785 1.00 15.37 C ATOM 834 CG GLN A 377 34.779 56.016 22.858 1.00 15.12 C ATOM 835 CD GLN A 377 34.730 56.708 24.224 1.00 15.41 C ATOM 836 OE1 GLN A 377 35.477 56.348 25.163 1.00 16.13 O ATOM 837 NE2 GLN A 377 33.878 57.710 24.312 1.00 16.70 N ATOM 838 HE22 GLN A 377 33.284 57.961 23.496 1.00 0.00 H ATOM 839 HE21 GLN A 377 33.800 58.250 25.198 1.00 0.00 H ATOM 840 H GLN A 377 37.500 53.055 22.270 1.00 0.00 H ATOM 841 N ILE A 378 34.559 55.018 19.719 1.00 15.10 N ATOM 842 CA ILE A 378 34.478 55.814 18.502 1.00 16.82 C ATOM 843 C ILE A 378 34.178 57.264 18.872 1.00 17.27 C ATOM 844 O ILE A 378 33.383 57.567 19.802 1.00 16.59 O ATOM 845 CB ILE A 378 33.305 55.329 17.595 1.00 15.90 C ATOM 846 CG1 ILE A 378 33.442 53.810 17.339 1.00 16.97 C ATOM 847 CG2 ILE A 378 33.116 56.175 16.361 1.00 17.72 C ATOM 848 CD1 ILE A 378 34.748 53.292 16.715 1.00 18.55 C ATOM 849 H ILE A 378 33.685 54.665 20.158 1.00 0.00 H ATOM 850 N CYS A 379 34.860 58.165 18.193 1.00 17.33 N ATOM 851 CA CYS A 379 34.575 59.611 18.346 1.00 15.50 C ATOM 852 C CYS A 379 34.742 60.367 17.058 1.00 16.93 C ATOM 853 O CYS A 379 35.268 59.847 16.083 1.00 16.82 O ATOM 854 CB CYS A 379 35.335 60.271 19.468 1.00 18.20 C ATOM 855 SG CYS A 379 37.100 60.313 19.183 1.00 18.29 S ATOM 856 H CYS A 379 35.609 57.856 17.541 1.00 0.00 H ATOM 857 N VAL A 380 34.280 61.631 17.006 1.00 16.39 N ATOM 858 CA VAL A 380 34.197 62.377 15.746 1.00 17.18 C ATOM 859 C VAL A 380 34.644 63.799 16.046 1.00 16.45 C ATOM 860 O VAL A 380 34.245 64.356 17.062 1.00 17.62 O ATOM 861 CB VAL A 380 32.724 62.410 15.295 1.00 17.87 C ATOM 862 CG1 VAL A 380 32.459 63.340 14.126 1.00 20.26 C ATOM 863 CG2 VAL A 380 32.248 60.991 14.928 1.00 18.25 C ATOM 864 H VAL A 380 33.973 62.092 17.886 1.00 0.00 H ATOM 865 N GLY A 381 35.454 64.326 15.162 1.00 18.80 N ATOM 866 CA GLY A 381 35.907 65.702 15.331 1.00 21.38 C ATOM 867 C GLY A 381 36.840 66.056 14.230 1.00 22.02 C ATOM 868 O GLY A 381 37.350 65.189 13.543 1.00 28.35 O ATOM 869 H GLY A 381 35.772 63.767 14.345 1.00 0.00 H ATOM 870 N VAL A 382 37.193 67.329 14.215 1.00 22.04 N ATOM 871 CA VAL A 382 38.107 67.865 13.192 1.00 27.28 C ATOM 872 C VAL A 382 39.576 67.659 13.603 1.00 25.35 C ATOM 873 O VAL A 382 40.031 68.145 14.654 1.00 30.17 O ATOM 874 CB VAL A 382 37.807 69.387 13.065 1.00 27.14 C ATOM 875 CG1 VAL A 382 38.865 70.094 12.223 1.00 31.78 C ATOM 876 CG2 VAL A 382 36.404 69.690 12.532 1.00 28.56 C ATOM 877 H VAL A 382 36.816 67.968 14.944 1.00 0.00 H ATOM 878 N GLY A 383 40.348 66.969 12.800 1.00 24.83 N ATOM 879 CA GLY A 383 41.724 66.709 13.101 1.00 27.30 C ATOM 880 C GLY A 383 42.567 67.891 12.684 1.00 27.35 C ATOM 881 O GLY A 383 42.063 68.778 12.000 1.00 32.27 O ATOM 882 H GLY A 383 39.948 66.598 11.915 1.00 0.00 H ATOM 883 N ARG A 384 43.808 67.940 13.113 1.00 29.97 N ATOM 884 CA ARG A 384 44.711 68.985 12.575 1.00 32.50 C ATOM 885 C ARG A 384 45.893 68.368 11.931 1.00 31.28 C ATOM 886 O ARG A 384 46.118 67.158 12.071 1.00 29.27 O ATOM 887 CB ARG A 384 45.097 69.962 13.671 1.00 39.87 C ATOM 888 CG ARG A 384 43.984 70.997 13.826 1.00 43.93 C ATOM 889 CD ARG A 384 44.367 72.165 14.711 1.00 48.68 C ATOM 890 NE ARG A 384 44.475 71.652 16.054 1.00 40.46 N ATOM 891 CZ ARG A 384 43.682 71.903 17.089 1.00 43.38 C ATOM 892 NH1 ARG A 384 42.688 72.786 17.056 1.00 49.43 N ATOM 893 NH2 ARG A 384 43.934 71.270 18.215 1.00 33.25 N ATOM 894 HE ARG A 384 45.271 71.007 16.234 1.00 0.00 H ATOM 895 HH12 ARG A 384 42.100 72.939 17.900 1.00 0.00 H ATOM 896 HH11 ARG A 384 42.498 73.323 16.186 1.00 0.00 H ATOM 897 HH22 ARG A 384 43.337 71.437 19.050 1.00 0.00 H ATOM 898 HH21 ARG A 384 44.730 70.603 18.269 1.00 0.00 H ATOM 899 H ARG A 384 44.151 67.257 13.818 1.00 0.00 H ATOM 900 N SER A 385 46.697 69.207 11.257 1.00 38.28 N ATOM 901 CA SER A 385 47.967 68.713 10.695 1.00 43.98 C ATOM 902 C SER A 385 48.938 68.100 11.762 1.00 46.48 C ATOM 903 O SER A 385 48.894 68.449 12.955 1.00 44.22 O ATOM 904 CB SER A 385 48.651 69.809 9.866 1.00 44.78 C ATOM 905 OG SER A 385 49.194 70.817 10.689 1.00 51.44 O ATOM 906 HG SER A 385 48.470 71.232 11.222 1.00 0.00 H ATOM 907 H SER A 385 46.424 70.203 11.132 1.00 0.00 H ATOM 908 N LYS A 386 49.808 67.200 11.292 1.00 47.14 N ATOM 909 CA LYS A 386 50.902 66.599 12.084 1.00 52.52 C ATOM 910 C LYS A 386 51.716 67.643 12.842 1.00 50.81 C ATOM 911 O LYS A 386 52.095 67.372 13.988 1.00 51.14 O ATOM 912 CB LYS A 386 51.853 65.771 11.187 1.00 53.03 C ATOM 913 H LYS A 386 49.708 66.902 10.301 1.00 0.00 H ATOM 914 N ASP A 387 51.920 68.823 12.209 1.00 46.87 N ATOM 915 CA ASP A 387 52.653 69.998 12.751 1.00 44.67 C ATOM 916 C ASP A 387 52.005 70.774 13.966 1.00 43.43 C ATOM 917 O ASP A 387 52.717 71.376 14.771 1.00 38.38 O ATOM 918 CB ASP A 387 52.912 70.999 11.599 1.00 46.47 C ATOM 919 H ASP A 387 51.526 68.916 11.251 1.00 0.00 H ATOM 920 N ALA A 388 50.674 70.791 14.068 1.00 37.25 N ATOM 921 CA ALA A 388 49.950 71.541 15.124 1.00 35.63 C ATOM 922 C ALA A 388 49.932 70.698 16.419 1.00 33.08 C ATOM 923 O ALA A 388 49.784 69.460 16.350 1.00 37.58 O ATOM 924 CB ALA A 388 48.516 71.858 14.663 1.00 34.43 C ATOM 925 H ALA A 388 50.118 70.253 13.374 1.00 0.00 H ATOM 926 N ASP A 389 50.133 71.319 17.577 1.00 27.81 N ATOM 927 CA ASP A 389 50.123 70.591 18.847 1.00 25.44 C ATOM 928 C ASP A 389 48.898 71.079 19.612 1.00 21.83 C ATOM 929 O ASP A 389 48.689 72.274 19.765 1.00 19.44 O ATOM 930 CB ASP A 389 51.387 70.898 19.660 1.00 31.27 C ATOM 931 CG ASP A 389 52.647 70.336 19.021 1.00 38.49 C ATOM 932 OD1 ASP A 389 52.548 69.319 18.272 1.00 41.27 O ATOM 933 OD2 ASP A 389 53.713 70.922 19.270 1.00 39.14 O ATOM 934 H ASP A 389 50.301 72.345 17.581 1.00 0.00 H ATOM 935 N GLY A 390 48.151 70.138 20.197 1.00 19.06 N ATOM 936 CA GLY A 390 47.084 70.488 21.151 1.00 20.24 C ATOM 937 C GLY A 390 45.969 69.466 21.035 1.00 18.86 C ATOM 938 O GLY A 390 45.839 68.783 20.002 1.00 20.19 O ATOM 939 H GLY A 390 48.326 69.137 19.974 1.00 0.00 H ATOM 940 N PHE A 391 45.169 69.339 22.084 1.00 19.22 N ATOM 941 CA PHE A 391 43.963 68.528 22.014 1.00 18.34 C ATOM 942 C PHE A 391 42.990 69.045 20.950 1.00 20.99 C ATOM 943 O PHE A 391 43.023 70.229 20.557 1.00 21.65 O ATOM 944 CB PHE A 391 43.262 68.497 23.368 1.00 17.55 C ATOM 945 CG PHE A 391 43.926 67.616 24.423 1.00 16.60 C ATOM 946 CD1 PHE A 391 45.179 67.076 24.281 1.00 17.15 C ATOM 947 CD2 PHE A 391 43.222 67.328 25.568 1.00 15.21 C ATOM 948 CE1 PHE A 391 45.720 66.299 25.248 1.00 15.67 C ATOM 949 CE2 PHE A 391 43.753 66.575 26.586 1.00 15.34 C ATOM 950 CZ PHE A 391 45.022 66.053 26.439 1.00 15.90 C ATOM 951 H PHE A 391 45.407 69.827 22.971 1.00 0.00 H ATOM 952 N ILE A 392 42.165 68.130 20.444 1.00 17.72 N ATOM 953 CA ILE A 392 41.096 68.451 19.521 1.00 17.68 C ATOM 954 C ILE A 392 39.787 68.216 20.291 1.00 18.49 C ATOM 955 O ILE A 392 39.726 67.368 21.146 1.00 17.97 O ATOM 956 CB ILE A 392 41.166 67.621 18.229 1.00 18.43 C ATOM 957 CG1 ILE A 392 41.138 66.116 18.440 1.00 19.53 C ATOM 958 CG2 ILE A 392 42.383 67.985 17.420 1.00 18.48 C ATOM 959 CD1 ILE A 392 40.921 65.244 17.183 1.00 21.62 C ATOM 960 H ILE A 392 42.295 67.137 20.725 1.00 0.00 H ATOM 961 N ARG A 393 38.735 68.862 19.866 1.00 17.34 N ATOM 962 CA ARG A 393 37.402 68.670 20.423 1.00 18.58 C ATOM 963 C ARG A 393 36.687 67.551 19.656 1.00 18.75 C ATOM 964 O ARG A 393 36.640 67.572 18.440 1.00 18.21 O ATOM 965 CB ARG A 393 36.613 69.985 20.348 1.00 19.17 C ATOM 966 H ARG A 393 38.854 69.547 19.092 1.00 0.00 H ATOM 967 N VAL A 394 36.204 66.535 20.357 1.00 18.58 N ATOM 968 CA VAL A 394 35.458 65.460 19.760 1.00 17.44 C ATOM 969 C VAL A 394 34.132 65.242 20.460 1.00 18.02 C ATOM 970 O VAL A 394 33.920 65.668 21.564 1.00 17.36 O ATOM 971 CB VAL A 394 36.215 64.114 19.676 1.00 16.37 C ATOM 972 CG1 VAL A 394 37.526 64.328 18.957 1.00 18.01 C ATOM 973 CG2 VAL A 394 36.513 63.618 21.057 1.00 17.63 C ATOM 974 H VAL A 394 36.372 66.514 21.383 1.00 0.00 H ATOM 975 N SER A 395 33.239 64.539 19.755 1.00 18.55 N ATOM 976 CA SER A 395 31.959 64.090 20.313 1.00 19.45 C ATOM 977 C SER A 395 31.896 62.589 20.249 1.00 20.07 C ATOM 978 O SER A 395 32.327 61.986 19.235 1.00 20.89 O ATOM 979 CB SER A 395 30.785 64.632 19.457 1.00 22.62 C ATOM 980 OG SER A 395 30.643 66.023 19.690 1.00 28.69 O ATOM 981 HG SER A 395 31.481 66.486 19.438 1.00 0.00 H ATOM 982 H SER A 395 33.462 64.300 18.768 1.00 0.00 H ATOM 983 N SER A 396 31.272 62.004 21.283 1.00 19.30 N ATOM 984 CA SER A 396 31.123 60.525 21.330 1.00 17.21 C ATOM 985 C SER A 396 29.770 60.185 21.965 1.00 19.92 C ATOM 986 O SER A 396 29.711 59.946 23.143 1.00 27.15 O ATOM 987 CB SER A 396 32.266 59.887 22.080 1.00 18.18 C ATOM 988 OG SER A 396 32.283 58.438 21.972 1.00 16.75 O ATOM 989 HG SER A 396 32.368 58.180 21.020 1.00 0.00 H ATOM 990 H SER A 396 30.891 62.587 22.055 1.00 0.00 H ATOM 991 N GLY A 397 28.711 60.359 21.212 1.00 17.53 N ATOM 992 CA GLY A 397 27.396 60.190 21.766 1.00 21.97 C ATOM 993 C GLY A 397 27.048 61.320 22.698 1.00 22.19 C ATOM 994 O GLY A 397 27.155 62.453 22.328 1.00 26.55 O ATOM 995 H GLY A 397 28.823 60.620 20.212 1.00 0.00 H ATOM 996 N LYS A 398 26.799 60.995 23.923 1.00 24.60 N ATOM 997 CA LYS A 398 26.296 61.980 24.856 1.00 32.16 C ATOM 998 C LYS A 398 27.503 62.662 25.540 1.00 34.06 C ATOM 999 O LYS A 398 27.311 63.549 26.302 1.00 40.25 O ATOM 1000 CB LYS A 398 25.447 61.248 25.921 1.00 36.41 C ATOM 1001 H LYS A 398 26.961 60.018 24.241 1.00 0.00 H ATOM 1002 N LYS A 399 28.719 62.186 25.315 1.00 28.84 N ATOM 1003 CA LYS A 399 29.931 62.805 25.885 1.00 29.67 C ATOM 1004 C LYS A 399 30.652 63.598 24.803 1.00 28.70 C ATOM 1005 O LYS A 399 30.523 63.330 23.626 1.00 24.37 O ATOM 1006 CB LYS A 399 30.835 61.713 26.424 1.00 34.84 C ATOM 1007 CG LYS A 399 30.200 60.797 27.450 1.00 41.75 C ATOM 1008 CD LYS A 399 29.937 61.483 28.772 1.00 46.80 C ATOM 1009 CE LYS A 399 29.610 60.423 29.836 1.00 55.32 C ATOM 1010 NZ LYS A 399 30.750 60.069 30.737 1.00 58.72 N ATOM 1011 HZ1 LYS A 399 31.536 59.693 30.169 1.00 0.00 H ATOM 1012 HZ2 LYS A 399 31.065 60.919 31.246 1.00 0.00 H ATOM 1013 HZ3 LYS A 399 30.439 59.349 31.421 1.00 0.00 H ATOM 1014 H LYS A 399 28.823 61.344 24.714 1.00 0.00 H ATOM 1015 N ARG A 400 31.334 64.634 25.221 1.00 27.47 N ATOM 1016 CA ARG A 400 32.003 65.590 24.313 1.00 26.17 C ATOM 1017 C ARG A 400 33.173 66.195 25.088 1.00 26.68 C ATOM 1018 O ARG A 400 33.129 66.232 26.325 1.00 29.30 O ATOM 1019 CB ARG A 400 31.024 66.684 23.882 1.00 28.25 C ATOM 1020 H ARG A 400 31.409 64.793 26.246 1.00 0.00 H ATOM 1021 N GLY A 401 34.220 66.656 24.410 1.00 21.98 N ATOM 1022 CA GLY A 401 35.315 67.317 25.100 1.00 19.92 C ATOM 1023 C GLY A 401 36.604 67.232 24.301 1.00 20.83 C ATOM 1024 O GLY A 401 36.620 66.777 23.147 1.00 19.93 O ATOM 1025 H GLY A 401 34.256 66.542 23.377 1.00 0.00 H ATOM 1026 N LEU A 402 37.661 67.702 24.936 1.00 18.03 N ATOM 1027 CA LEU A 402 38.975 67.784 24.330 1.00 18.26 C ATOM 1028 C LEU A 402 39.702 66.496 24.549 1.00 17.46 C ATOM 1029 O LEU A 402 39.659 65.941 25.669 1.00 16.21 O ATOM 1030 CB LEU A 402 39.752 68.938 24.920 1.00 18.52 C ATOM 1031 CG LEU A 402 39.149 70.354 24.682 1.00 20.36 C ATOM 1032 CD1 LEU A 402 39.750 71.402 25.615 1.00 20.87 C ATOM 1033 CD2 LEU A 402 39.412 70.772 23.210 1.00 24.54 C ATOM 1034 H LEU A 402 37.546 68.029 25.917 1.00 0.00 H ATOM 1035 N VAL A 403 40.452 66.034 23.545 1.00 15.40 N ATOM 1036 CA VAL A 403 41.200 64.764 23.678 1.00 15.93 C ATOM 1037 C VAL A 403 42.544 64.821 22.985 1.00 15.69 C ATOM 1038 O VAL A 403 42.680 65.609 22.016 1.00 15.35 O ATOM 1039 CB VAL A 403 40.450 63.549 23.115 1.00 15.39 C ATOM 1040 CG1 VAL A 403 39.146 63.297 23.859 1.00 17.74 C ATOM 1041 CG2 VAL A 403 40.316 63.655 21.597 1.00 16.73 C ATOM 1042 H VAL A 403 40.511 66.574 22.658 1.00 0.00 H ATOM 1043 N PRO A 404 43.479 63.946 23.393 1.00 16.65 N ATOM 1044 CA PRO A 404 44.788 63.890 22.714 1.00 16.26 C ATOM 1045 C PRO A 404 44.654 63.137 21.388 1.00 17.48 C ATOM 1046 O PRO A 404 44.062 62.073 21.344 1.00 17.05 O ATOM 1047 CB PRO A 404 45.677 63.102 23.666 1.00 16.86 C ATOM 1048 CG PRO A 404 44.678 62.363 24.621 1.00 17.50 C ATOM 1049 CD PRO A 404 43.442 63.141 24.656 1.00 16.40 C ATOM 1050 N VAL A 405 45.224 63.663 20.317 1.00 20.47 N ATOM 1051 CA VAL A 405 45.155 62.990 19.032 1.00 21.49 C ATOM 1052 C VAL A 405 45.962 61.726 19.040 1.00 19.05 C ATOM 1053 O VAL A 405 45.639 60.798 18.330 1.00 19.40 O ATOM 1054 CB VAL A 405 45.657 63.919 17.857 1.00 27.47 C ATOM 1055 CG1 VAL A 405 44.848 65.200 17.817 1.00 32.42 C ATOM 1056 CG2 VAL A 405 47.112 64.298 17.978 1.00 30.25 C ATOM 1057 H VAL A 405 45.728 64.569 20.396 1.00 0.00 H ATOM 1058 N ASP A 406 46.981 61.605 19.884 1.00 17.11 N ATOM 1059 CA ASP A 406 47.749 60.383 19.878 1.00 16.46 C ATOM 1060 C ASP A 406 46.953 59.195 20.470 1.00 17.10 C ATOM 1061 O ASP A 406 47.351 58.053 20.379 1.00 18.08 O ATOM 1062 CB ASP A 406 49.061 60.573 20.619 1.00 17.40 C ATOM 1063 CG ASP A 406 50.006 61.539 19.915 1.00 18.93 C ATOM 1064 OD1 ASP A 406 49.700 62.013 18.785 1.00 19.23 O ATOM 1065 OD2 ASP A 406 51.084 61.760 20.498 1.00 19.65 O ATOM 1066 H ASP A 406 47.221 62.377 20.538 1.00 0.00 H ATOM 1067 N ALA A 407 45.836 59.482 21.143 1.00 15.87 N ATOM 1068 CA ALA A 407 44.961 58.420 21.623 1.00 16.28 C ATOM 1069 C ALA A 407 44.138 57.774 20.522 1.00 17.76 C ATOM 1070 O ALA A 407 43.468 56.792 20.790 1.00 17.40 O ATOM 1071 CB ALA A 407 44.039 58.940 22.709 1.00 15.09 C ATOM 1072 H ALA A 407 45.588 60.475 21.327 1.00 0.00 H ATOM 1073 N LEU A 408 44.178 58.321 19.335 1.00 17.56 N ATOM 1074 CA LEU A 408 43.210 58.008 18.279 1.00 17.67 C ATOM 1075 C LEU A 408 43.867 57.518 17.002 1.00 19.77 C ATOM 1076 O LEU A 408 44.962 57.910 16.682 1.00 19.88 O ATOM 1077 CB LEU A 408 42.442 59.285 17.923 1.00 17.36 C ATOM 1078 CG LEU A 408 41.646 59.960 19.036 1.00 17.42 C ATOM 1079 CD1 LEU A 408 40.999 61.273 18.602 1.00 18.52 C ATOM 1080 CD2 LEU A 408 40.622 58.993 19.570 1.00 19.21 C ATOM 1081 H LEU A 408 44.930 59.009 19.131 1.00 0.00 H ATOM 1082 N THR A 409 43.127 56.667 16.295 1.00 18.54 N ATOM 1083 CA THR A 409 43.442 56.254 14.941 1.00 19.74 C ATOM 1084 C THR A 409 42.275 56.558 14.043 1.00 20.28 C ATOM 1085 O THR A 409 41.124 56.242 14.391 1.00 18.60 O ATOM 1086 CB THR A 409 43.623 54.711 14.850 1.00 24.90 C ATOM 1087 OG1 THR A 409 44.572 54.315 15.791 1.00 26.42 O ATOM 1088 CG2 THR A 409 44.159 54.333 13.424 1.00 25.64 C ATOM 1089 HG1 THR A 409 45.432 54.766 15.601 1.00 0.00 H ATOM 1090 H THR A 409 42.272 56.275 16.740 1.00 0.00 H ATOM 1091 N GLU A 410 42.569 57.212 12.919 1.00 21.22 N ATOM 1092 CA GLU A 410 41.550 57.639 11.992 1.00 21.88 C ATOM 1093 C GLU A 410 41.012 56.425 11.278 1.00 20.78 C ATOM 1094 O GLU A 410 41.741 55.496 10.915 1.00 22.39 O ATOM 1095 CB GLU A 410 42.067 58.638 10.988 1.00 25.72 C ATOM 1096 CG GLU A 410 40.861 59.344 10.344 1.00 29.47 C ATOM 1097 CD GLU A 410 41.192 60.358 9.266 1.00 35.82 C ATOM 1098 OE1 GLU A 410 42.403 60.732 9.150 1.00 31.69 O ATOM 1099 OE2 GLU A 410 40.190 60.747 8.572 1.00 33.92 O ATOM 1100 H GLU A 410 43.565 57.421 12.704 1.00 0.00 H ATOM 1101 N ILE A 411 39.701 56.409 11.145 1.00 19.84 N ATOM 1102 CA ILE A 411 38.958 55.308 10.527 1.00 26.25 C ATOM 1103 C ILE A 411 37.936 55.875 9.531 1.00 29.32 C ATOM 1104 O ILE A 411 37.853 57.076 9.235 1.00 28.22 O ATOM 1105 CB ILE A 411 38.210 54.382 11.542 1.00 26.02 C ATOM 1106 CG1 ILE A 411 37.131 55.153 12.376 1.00 27.81 C ATOM 1107 CG2 ILE A 411 39.182 53.699 12.483 1.00 25.84 C ATOM 1108 CD1 ILE A 411 36.261 54.258 13.227 1.00 30.10 C ATOM 1109 OXT ILE A 411 37.143 55.057 9.013 1.00 36.20 O ATOM 1110 H ILE A 411 39.163 57.225 11.499 1.00 0.00 H TER 1111 ILE A 411 HETATM 1112 O HOH 1 40.595 75.136 35.489 1.00 28.80 O HETATM 1113 O HOH 2 28.751 58.949 7.765 1.00 32.14 O HETATM 1114 O HOH 3 30.597 61.906 6.454 1.00 40.71 O HETATM 1115 O HOH 4 26.941 46.711 10.047 1.00 21.93 O HETATM 1116 O HOH 5 45.906 66.287 20.138 1.00 33.15 O HETATM 1117 O HOH 6 40.104 47.716 17.498 1.00 42.02 O HETATM 1118 O HOH 7 15.210 37.366 14.913 1.00 22.78 O HETATM 1119 O HOH 8 31.471 50.637 20.631 1.00 27.34 O HETATM 1120 O HOH 9 14.548 39.444 7.356 1.00 38.45 O HETATM 1121 O HOH 10 35.380 64.515 31.068 1.00 42.52 O HETATM 1122 O HOH 11 31.409 70.962 9.613 1.00 31.61 O HETATM 1123 O HOH 12 42.002 53.056 10.136 1.00 36.61 O HETATM 1124 O HOH 13 24.917 63.154 17.044 1.00 23.79 O HETATM 1125 O HOH 14 16.182 60.856 19.069 1.00 34.77 O HETATM 1126 O HOH 15 34.031 49.984 19.556 1.00 30.17 O HETATM 1127 O HOH 16 48.775 61.069 16.542 1.00 25.04 O HETATM 1128 O HOH 17 14.610 45.013 20.993 1.00 37.01 O HETATM 1129 O HOH 18 23.254 65.964 14.693 1.00 43.25 O HETATM 1130 O HOH 19 15.464 46.359 5.856 1.00 40.97 O HETATM 1131 O HOH 20 29.627 65.868 14.895 1.00 40.52 O HETATM 1132 O HOH 21 38.144 57.961 32.758 1.00 21.13 O HETATM 1133 O HOH 22 34.994 56.327 27.763 1.00 28.52 O HETATM 1134 O HOH 23 22.663 43.198 -2.884 1.00 32.32 O HETATM 1135 O HOH 24 21.180 47.792 -2.125 1.00 38.55 O HETATM 1136 O HOH 25 24.289 58.145 22.448 1.00 29.45 O HETATM 1137 O HOH 26 52.407 64.047 20.781 1.00 27.90 O HETATM 1138 O HOH 27 46.323 71.841 11.140 1.00 50.40 O HETATM 1139 O HOH 28 35.735 50.217 11.587 1.00 47.59 O HETATM 1140 O HOH 29 37.898 73.617 29.357 1.00 29.69 O HETATM 1141 O HOH 30 12.380 56.913 12.319 1.00 23.55 O HETATM 1142 O HOH 31 24.396 60.158 19.965 1.00 31.73 O HETATM 1143 O HOH 32 13.055 46.576 12.537 1.00 26.09 O HETATM 1144 O HOH 33 31.048 46.711 9.076 1.00 28.48 O HETATM 1145 O HOH 34 34.034 59.192 27.234 1.00 25.18 O HETATM 1146 O HOH 35 38.082 52.750 7.952 1.00 40.23 O HETATM 1147 O HOH 36 19.499 40.964 21.081 1.00 37.69 O HETATM 1148 O HOH 37 26.297 57.542 24.031 1.00 27.42 O HETATM 1149 O HOH 38 33.878 47.653 14.112 1.00 29.44 O HETATM 1150 O HOH 39 21.308 60.313 17.824 1.00 31.82 O HETATM 1151 O HOH 40 7.932 42.885 17.359 1.00 33.08 O HETATM 1152 O HOH 41 30.009 64.336 6.964 1.00 30.36 O HETATM 1153 O HOH 42 41.134 62.302 35.838 1.00 33.74 O HETATM 1154 O HOH 43 47.023 55.467 15.447 1.00 39.25 O HETATM 1155 O HOH 44 37.699 59.820 9.201 1.00 26.63 O HETATM 1156 O HOH 45 32.669 49.606 10.731 1.00 26.49 O HETATM 1157 O HOH 46 30.736 56.250 22.549 1.00 23.67 O HETATM 1158 O HOH 47 30.048 58.397 25.387 1.00 38.94 O HETATM 1159 O HOH 48 19.331 38.249 17.558 1.00 35.48 O HETATM 1160 O HOH 49 17.573 42.412 10.034 1.00 26.32 O HETATM 1161 O HOH 50 44.478 65.451 14.166 1.00 48.98 O HETATM 1162 O HOH 51 25.940 53.282 1.013 1.00 26.68 O HETATM 1163 O HOH 52 19.396 57.406 25.368 1.00 42.94 O HETATM 1164 O HOH 53 17.309 55.548 20.602 1.00 24.10 O HETATM 1165 O HOH 54 47.223 54.895 27.282 1.00 17.34 O HETATM 1166 O HOH 55 35.764 70.794 26.564 1.00 28.13 O HETATM 1167 O HOH 56 39.623 55.288 29.598 1.00 22.59 O HETATM 1168 O HOH 57 34.487 66.722 28.736 1.00 34.06 O HETATM 1169 O HOH 58 31.995 54.206 20.942 1.00 17.53 O HETATM 1170 O HOH 59 42.838 64.455 32.126 1.00 19.26 O HETATM 1171 O HOH 60 40.330 50.959 27.644 1.00 22.83 O HETATM 1172 O HOH 61 21.626 38.949 15.257 1.00 31.69 O HETATM 1173 O HOH 62 37.858 70.050 8.437 1.00 49.77 O HETATM 1174 O HOH 63 28.229 52.903 4.397 1.00 15.54 O HETATM 1175 O HOH 64 33.221 64.253 7.066 1.00 29.70 O HETATM 1176 O HOH 65 15.802 41.978 8.387 1.00 35.20 O HETATM 1177 O HOH 66 29.839 48.289 20.853 1.00 24.43 O HETATM 1178 O HOH 67 9.701 44.346 20.418 1.00 37.15 O HETATM 1179 O HOH 68 17.229 36.271 16.608 1.00 26.03 O HETATM 1180 O HOH 69 46.431 60.133 15.587 1.00 26.60 O HETATM 1181 O HOH 70 36.728 64.471 36.388 1.00 30.67 O HETATM 1182 O HOH 71 39.524 71.343 18.606 1.00 42.37 O HETATM 1183 O HOH 72 21.297 64.093 15.207 1.00 36.50 O HETATM 1184 O HOH 73 49.263 56.781 22.148 1.00 28.69 O HETATM 1185 O HOH 74 45.346 59.123 30.633 1.00 14.40 O HETATM 1186 O HOH 75 19.319 45.504 7.105 1.00 30.33 O HETATM 1187 O HOH 76 38.332 50.129 10.921 1.00 42.84 O HETATM 1188 O HOH 77 34.590 61.644 29.666 1.00 27.90 O HETATM 1189 O HOH 78 34.846 50.686 23.517 1.00 31.64 O HETATM 1190 O HOH 79 8.838 57.088 22.601 1.00 48.44 O HETATM 1191 O HOH 80 23.452 46.201 21.280 1.00 33.60 O HETATM 1192 O HOH 81 25.614 54.813 3.585 1.00 19.28 O HETATM 1193 O HOH 82 48.854 67.384 19.350 1.00 29.85 O HETATM 1194 O HOH 83 45.377 58.028 12.349 1.00 35.79 O HETATM 1195 O HOH 84 36.073 62.219 31.921 1.00 39.96 O HETATM 1196 O HOH 85 25.774 69.389 7.030 1.00 25.37 O HETATM 1197 O HOH 86 36.411 46.671 22.680 1.00 45.21 O HETATM 1198 O HOH 87 42.765 64.421 36.667 1.00 33.05 O HETATM 1199 O HOH 88 21.643 44.527 8.318 1.00 18.55 O HETATM 1200 O HOH 89 30.882 65.045 28.197 1.00 39.87 O HETATM 1201 O HOH 90 33.760 59.974 31.152 1.00 39.89 O HETATM 1202 O HOH 91 36.874 67.184 37.429 1.00 29.77 O HETATM 1203 O HOH 92 23.265 44.107 20.255 1.00 37.79 O HETATM 1204 O HOH 93 46.115 58.127 25.572 1.00 17.84 O HETATM 1205 O HOH 94 27.366 58.715 5.724 1.00 26.90 O HETATM 1206 O HOH 95 26.707 70.462 9.340 1.00 24.58 O HETATM 1207 O HOH 96 31.964 66.612 16.944 1.00 30.89 O HETATM 1208 O HOH 97 8.653 58.357 18.529 1.00 36.88 O HETATM 1209 O HOH 98 39.264 67.881 38.879 1.00 46.50 O HETATM 1210 O HOH 99 36.719 65.351 6.605 1.00 53.77 O HETATM 1211 O HOH 100 10.345 55.855 11.135 1.00 34.72 O HETATM 1212 O HOH 101 32.153 54.296 24.608 1.00 37.33 O HETATM 1213 O HOH 102 33.123 63.830 29.334 1.00 35.88 O HETATM 1214 O HOH 103 22.328 62.635 16.801 1.00 34.31 O HETATM 1215 O HOH 104 32.114 54.968 27.473 1.00 45.48 O HETATM 1216 O HOH 105 34.538 58.781 35.329 1.00 42.24 O HETATM 1217 O HOH 106 36.749 55.495 29.947 1.00 27.34 O HETATM 1218 O HOH 107 32.647 52.257 23.215 1.00 32.17 O HETATM 1219 O HOH 108 31.764 46.148 19.859 1.00 37.06 O HETATM 1220 O HOH 109 7.150 55.240 23.841 1.00 36.26 O HETATM 1221 O HOH 110 26.879 46.690 21.721 1.00 37.84 O HETATM 1222 O HOH 111 22.611 48.702 25.145 1.00 30.24 O HETATM 1223 O HOH 112 8.380 53.409 18.587 1.00 34.82 O HETATM 1224 O HOH 113 16.303 47.119 25.438 1.00 35.95 O HETATM 1225 O HOH 114 12.543 53.095 24.398 1.00 34.30 O HETATM 1226 O HOH 115 10.268 46.171 23.512 1.00 36.19 O HETATM 1227 O HOH 116 13.532 46.167 23.175 1.00 38.76 O HETATM 1228 O HOH 117 19.585 48.546 30.243 1.00 46.63 O HETATM 1229 O HOH 118 31.144 50.676 24.365 1.00 42.65 O HETATM 1230 N GLU A 119 27.206 52.616 27.006 1.00 0.24 N HETATM 1231 CA GLU A 119 26.318 52.013 25.978 1.00 0.07 C HETATM 1232 C GLU A 119 24.836 52.113 26.381 1.00 0.23 C HETATM 1233 O GLU A 119 24.426 51.480 27.310 1.00 -0.39 O HETATM 1234 N GLU A 119 24.047 52.941 25.685 1.00 -0.25 N HETATM 1235 CA GLU A 119 22.659 53.192 26.044 1.00 0.13 C HETATM 1236 C GLU A 119 21.829 51.921 25.934 1.00 0.20 C HETATM 1237 O GLU A 119 22.213 50.987 25.225 1.00 -0.39 O HETATM 1238 N GLU A 119 20.756 51.866 26.696 1.00 -0.26 N HETATM 1239 CA GLU A 119 19.758 50.825 26.479 1.00 0.13 C HETATM 1240 C GLU A 119 19.104 50.899 25.069 1.00 0.20 C HETATM 1241 O GLU A 119 18.727 51.952 24.631 1.00 -0.39 O HETATM 1242 N GLU A 119 18.917 49.738 24.436 1.00 -0.26 N HETATM 1243 CA GLU A 119 18.133 49.628 23.178 1.00 0.13 C HETATM 1244 C GLU A 119 16.714 50.006 23.587 1.00 0.21 C HETATM 1245 O GLU A 119 16.257 49.605 24.680 1.00 -0.39 O HETATM 1246 N GLU A 119 16.072 50.822 22.774 1.00 -0.25 N HETATM 1247 CA GLU A 119 14.777 51.338 23.210 1.00 0.13 C HETATM 1248 C GLU A 119 13.744 50.242 23.452 1.00 0.20 C HETATM 1249 O GLU A 119 13.722 49.224 22.724 1.00 -0.39 O HETATM 1250 N GLU A 119 12.957 50.489 24.518 1.00 -0.26 N HETATM 1251 CA GLU A 119 11.847 49.579 24.902 1.00 0.13 C HETATM 1252 C GLU A 119 10.663 49.822 24.067 1.00 0.20 C HETATM 1253 O GLU A 119 9.833 48.918 23.882 1.00 -0.39 O HETATM 1254 N GLU A 119 10.610 51.016 23.472 1.00 -0.26 N HETATM 1255 CA GLU A 119 9.585 51.358 22.563 1.00 0.15 C HETATM 1256 C GLU A 119 9.548 50.545 21.303 1.00 0.21 C HETATM 1257 O GLU A 119 10.584 50.077 20.800 1.00 -0.39 O HETATM 1258 N GLU A 119 8.348 50.379 20.719 1.00 -0.25 N HETATM 1259 CA GLU A 119 8.250 49.551 19.510 1.00 0.13 C HETATM 1260 C GLU A 119 8.952 50.043 18.273 1.00 0.20 C HETATM 1261 O GLU A 119 9.037 51.229 18.057 1.00 -0.39 O HETATM 1262 N GLU A 119 9.396 49.118 17.427 1.00 -0.26 N HETATM 1263 CA GLU A 119 10.004 49.502 16.166 1.00 0.16 C HETATM 1264 C GLU A 119 8.867 50.038 15.333 1.00 0.21 C HETATM 1265 O GLU A 119 7.748 49.622 15.593 1.00 -0.39 O HETATM 1266 N GLU A 119 9.147 50.934 14.350 1.00 -0.26 N HETATM 1267 CA GLU A 119 8.170 51.512 13.421 1.00 0.10 C HETATM 1268 C GLU A 119 7.510 50.507 12.500 1.00 0.06 C HETATM 1269 O GLU A 119 8.230 49.888 11.764 1.00 -0.57 O HETATM 1270 OXT GLU A 119 6.315 50.403 12.574 1.00 -0.57 O HETATM 1271 CB GLU A 119 9.019 52.512 12.613 1.00 -0.02 C HETATM 1272 CG GLU A 119 10.059 52.967 13.587 1.00 -0.03 C HETATM 1273 CD GLU A 119 10.414 51.708 14.317 1.00 0.04 C HETATM 1274 H79 GLU A 119 11.196 51.153 13.779 1.00 0.05 H HETATM 1275 H80 GLU A 119 10.760 51.933 15.337 1.00 0.05 H HETATM 1276 H77 GLU A 119 9.652 53.721 14.276 1.00 0.03 H HETATM 1277 H78 GLU A 119 10.934 53.381 13.065 1.00 0.03 H HETATM 1278 H75 GLU A 119 8.406 53.359 12.270 1.00 0.03 H HETATM 1279 H76 GLU A 119 9.483 52.020 11.745 1.00 0.03 H HETATM 1280 H74 GLU A 119 7.383 52.036 13.984 1.00 0.07 H HETATM 1281 CB GLU A 119 10.631 48.332 15.454 1.00 0.08 C HETATM 1282 CG GLU A 119 12.081 48.076 15.858 1.00 0.08 C HETATM 1283 CD GLU A 119 12.249 46.638 15.996 1.00 0.16 C HETATM 1284 NE GLU A 119 13.584 46.184 16.278 1.00 -0.23 N HETATM 1285 CZ GLU A 119 14.045 45.825 17.480 1.00 0.17 C HETATM 1286 NH1 GLU A 119 13.331 45.953 18.629 1.00 -0.35 N HETATM 1287 H70 GLU A 119 13.742 45.658 19.526 1.00 0.17 H HETATM 1288 H71 GLU A 119 12.379 46.345 18.603 1.00 0.17 H HETATM 1289 NH2 GLU A 119 15.229 45.255 17.525 1.00 -0.35 N HETATM 1290 H72 GLU A 119 15.783 45.150 16.663 1.00 0.17 H HETATM 1291 H73 GLU A 119 15.602 44.913 18.422 1.00 0.17 H HETATM 1292 H69 GLU A 119 14.241 46.131 15.486 1.00 0.25 H HETATM 1293 H68 GLU A 119 11.414 45.947 15.892 1.00 0.19 H HETATM 1294 H67 GLU A 119 12.849 48.832 16.014 1.00 0.16 H HETATM 1295 H65 GLU A 119 10.601 48.527 14.372 1.00 0.08 H HETATM 1296 H66 GLU A 119 10.043 47.431 15.681 1.00 0.08 H HETATM 1297 H64 GLU A 119 10.766 50.278 16.333 1.00 0.09 H HETATM 1298 H63 GLU A 119 9.310 48.150 17.662 1.00 0.19 H HETATM 1299 CB GLU A 119 6.746 49.531 19.188 1.00 -0.01 C HETATM 1300 CG GLU A 119 6.111 49.819 20.454 1.00 -0.03 C HETATM 1301 CD GLU A 119 7.003 50.732 21.215 1.00 0.04 C HETATM 1302 H61 GLU A 119 6.767 51.785 21.000 1.00 0.05 H HETATM 1303 H62 GLU A 119 6.922 50.552 22.297 1.00 0.05 H HETATM 1304 H59 GLU A 119 5.962 48.886 21.018 1.00 0.03 H HETATM 1305 H60 GLU A 119 5.138 50.304 20.283 1.00 0.03 H HETATM 1306 H57 GLU A 119 6.440 48.543 18.813 1.00 0.03 H HETATM 1307 H58 GLU A 119 6.496 50.300 18.442 1.00 0.03 H HETATM 1308 H56 GLU A 119 8.619 48.541 19.740 1.00 0.08 H HETATM 1309 CB GLU A 119 9.548 52.883 22.264 1.00 0.08 C HETATM 1310 OG GLU A 119 10.622 53.278 21.423 1.00 -0.39 O HETATM 1311 H55 GLU A 119 10.569 54.213 21.261 1.00 0.21 H HETATM 1312 H53 GLU A 119 9.617 53.434 23.213 1.00 0.06 H HETATM 1313 H54 GLU A 119 8.598 53.126 21.767 1.00 0.06 H HETATM 1314 H52 GLU A 119 8.645 51.129 23.086 1.00 0.08 H HETATM 1315 H51 GLU A 119 11.319 51.690 23.677 1.00 0.19 H HETATM 1316 CB GLU A 119 11.474 49.697 26.353 1.00 -0.01 C HETATM 1317 CG GLU A 119 12.550 49.512 27.389 1.00 -0.04 C HETATM 1318 CD1 GLU A 119 11.942 49.653 28.762 1.00 -0.06 C HETATM 1319 H45 GLU A 119 12.723 49.519 29.524 1.00 0.02 H HETATM 1320 H46 GLU A 119 11.162 48.889 28.898 1.00 0.02 H HETATM 1321 H47 GLU A 119 11.497 50.654 28.865 1.00 0.02 H HETATM 1322 CD2 GLU A 119 13.196 48.140 27.205 1.00 -0.06 C HETATM 1323 H48 GLU A 119 13.629 48.071 26.196 1.00 0.02 H HETATM 1324 H49 GLU A 119 12.435 47.356 27.332 1.00 0.02 H HETATM 1325 H50 GLU A 119 13.990 48.005 27.954 1.00 0.02 H HETATM 1326 H44 GLU A 119 13.319 50.288 27.258 1.00 0.03 H HETATM 1327 H42 GLU A 119 10.699 48.942 26.551 1.00 0.03 H HETATM 1328 H43 GLU A 119 11.052 50.702 26.499 1.00 0.03 H HETATM 1329 H41 GLU A 119 12.187 48.548 24.725 1.00 0.08 H HETATM 1330 H40 GLU A 119 13.125 51.308 25.066 1.00 0.19 H HETATM 1331 CB GLU A 119 14.329 52.201 22.028 1.00 -0.01 C HETATM 1332 CG GLU A 119 15.627 52.609 21.290 1.00 -0.03 C HETATM 1333 CD GLU A 119 16.487 51.409 21.470 1.00 0.04 C HETATM 1334 H38 GLU A 119 16.322 50.690 20.654 1.00 0.05 H HETATM 1335 H39 GLU A 119 17.549 51.696 21.497 1.00 0.05 H HETATM 1336 H36 GLU A 119 16.083 53.498 21.749 1.00 0.03 H HETATM 1337 H37 GLU A 119 15.434 52.804 20.225 1.00 0.03 H HETATM 1338 H34 GLU A 119 13.795 53.093 22.386 1.00 0.03 H HETATM 1339 H35 GLU A 119 13.673 51.624 21.359 1.00 0.03 H HETATM 1340 H33 GLU A 119 14.890 51.940 24.124 1.00 0.08 H HETATM 1341 CB GLU A 119 18.169 48.233 22.629 1.00 -0.00 C HETATM 1342 CG1 GLU A 119 19.591 47.905 22.136 1.00 -0.05 C HETATM 1343 CD1 GLU A 119 19.747 46.448 21.882 1.00 -0.06 C HETATM 1344 H30 GLU A 119 20.770 46.244 21.532 1.00 0.02 H HETATM 1345 H31 GLU A 119 19.026 46.130 21.114 1.00 0.02 H HETATM 1346 H32 GLU A 119 19.560 45.892 22.812 1.00 0.02 H HETATM 1347 H25 GLU A 119 20.317 48.216 22.901 1.00 0.03 H HETATM 1348 H26 GLU A 119 19.784 48.455 21.203 1.00 0.03 H HETATM 1349 CG2 GLU A 119 17.179 48.027 21.524 1.00 -0.06 C HETATM 1350 H27 GLU A 119 16.169 48.264 21.888 1.00 0.02 H HETATM 1351 H28 GLU A 119 17.212 46.979 21.192 1.00 0.02 H HETATM 1352 H29 GLU A 119 17.429 48.687 20.680 1.00 0.02 H HETATM 1353 H24 GLU A 119 17.915 47.540 23.445 1.00 0.03 H HETATM 1354 H23 GLU A 119 18.519 50.326 22.421 1.00 0.08 H HETATM 1355 H22 GLU A 119 19.321 48.909 24.824 1.00 0.19 H HETATM 1356 CB GLU A 119 18.644 50.951 27.555 1.00 -0.00 C HETATM 1357 CG GLU A 119 17.798 49.681 27.716 1.00 0.00 C HETATM 1358 CD GLU A 119 16.744 49.750 28.831 1.00 0.04 C HETATM 1359 OE1 GLU A 119 16.213 50.853 29.154 1.00 -0.57 O HETATM 1360 OE2 GLU A 119 16.411 48.661 29.342 1.00 -0.57 O HETATM 1361 H20 GLU A 119 18.476 48.843 27.936 1.00 0.04 H HETATM 1362 H21 GLU A 119 17.279 49.492 26.765 1.00 0.04 H HETATM 1363 H18 GLU A 119 17.978 51.779 27.270 1.00 0.03 H HETATM 1364 H19 GLU A 119 19.118 51.178 28.521 1.00 0.03 H HETATM 1365 H17 GLU A 119 20.250 49.847 26.583 1.00 0.08 H HETATM 1366 H16 GLU A 119 20.626 52.539 27.424 1.00 0.19 H HETATM 1367 CB GLU A 119 22.177 54.177 24.983 1.00 -0.01 C HETATM 1368 CG GLU A 119 23.420 54.743 24.388 1.00 -0.03 C HETATM 1369 CD GLU A 119 24.409 53.641 24.434 1.00 0.04 C HETATM 1370 H14 GLU A 119 24.306 52.977 23.563 1.00 0.05 H HETATM 1371 H15 GLU A 119 25.437 54.030 24.479 1.00 0.05 H HETATM 1372 H12 GLU A 119 23.773 55.603 24.977 1.00 0.03 H HETATM 1373 H13 GLU A 119 23.242 55.058 23.349 1.00 0.03 H HETATM 1374 H10 GLU A 119 21.571 54.972 25.441 1.00 0.03 H HETATM 1375 H11 GLU A 119 21.583 53.659 24.216 1.00 0.03 H HETATM 1376 H9 GLU A 119 22.580 53.613 27.057 1.00 0.08 H HETATM 1377 CB GLU A 119 26.710 50.556 25.714 1.00 0.02 C HETATM 1378 CG GLU A 119 26.071 50.000 24.463 1.00 0.01 C HETATM 1379 CD GLU A 119 26.930 48.975 23.731 1.00 0.04 C HETATM 1380 OE1 GLU A 119 28.215 49.069 23.643 1.00 -0.57 O HETATM 1381 OE2 GLU A 119 26.274 48.059 23.215 1.00 -0.57 O HETATM 1382 H7 GLU A 119 25.869 50.836 23.777 1.00 0.04 H HETATM 1383 H8 GLU A 119 25.122 49.519 24.744 1.00 0.04 H HETATM 1384 H5 GLU A 119 26.394 49.945 26.572 1.00 0.04 H HETATM 1385 H6 GLU A 119 27.803 50.499 25.606 1.00 0.04 H HETATM 1386 H4 GLU A 119 26.452 52.577 25.043 1.00 0.11 H HETATM 1387 H1 GLU A 119 28.166 52.533 26.711 1.00 0.20 H HETATM 1388 H2 GLU A 119 27.081 52.134 27.882 1.00 0.20 H HETATM 1389 H3 GLU A 119 26.973 53.590 27.122 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1230 1231 1387 1388 1389 CONECT 1231 1230 1232 1377 1386 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 1235 1369 CONECT 1235 1234 1236 1367 1376 CONECT 1236 1235 1237 1238 CONECT 1237 1236 CONECT 1238 1236 1239 1366 CONECT 1239 1238 1240 1356 1365 CONECT 1240 1239 1241 1242 CONECT 1241 1240 CONECT 1242 1240 1243 1355 CONECT 1243 1242 1244 1341 1354 CONECT 1244 1243 1245 1246 CONECT 1245 1244 CONECT 1246 1244 1247 1333 CONECT 1247 1246 1248 1331 1340 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 1251 1330 CONECT 1251 1250 1252 1316 1329 CONECT 1252 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 1255 1315 CONECT 1255 1254 1256 1309 1314 CONECT 1256 1255 1257 1258 CONECT 1257 1256 CONECT 1258 1256 1259 1301 CONECT 1259 1258 1260 1299 1308 CONECT 1260 1259 1261 1262 CONECT 1261 1260 CONECT 1262 1260 1263 1298 CONECT 1263 1262 1264 1281 1297 CONECT 1264 1263 1265 1266 CONECT 1265 1264 CONECT 1266 1264 1267 1273 CONECT 1267 1266 1268 1271 1280 CONECT 1268 1267 1269 1270 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1267 1272 1278 1279 CONECT 1272 1271 1273 1276 1277 CONECT 1273 1266 1272 1274 1275 CONECT 1274 1273 CONECT 1275 1273 CONECT 1276 1272 CONECT 1277 1272 CONECT 1278 1271 CONECT 1279 1271 CONECT 1280 1267 CONECT 1281 1263 1282 1295 1296 CONECT 1282 1281 1283 1294 CONECT 1283 1282 1284 1293 CONECT 1284 1283 1285 1292 CONECT 1285 1284 1286 1289 CONECT 1286 1285 1287 1288 CONECT 1287 1286 CONECT 1288 1286 CONECT 1289 1285 1290 1291 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1284 CONECT 1293 1283 CONECT 1294 1282 CONECT 1295 1281 CONECT 1296 1281 CONECT 1297 1263 CONECT 1298 1262 CONECT 1299 1259 1300 1306 1307 CONECT 1300 1299 1301 1304 1305 CONECT 1301 1258 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 CONECT 1304 1300 CONECT 1305 1300 CONECT 1306 1299 CONECT 1307 1299 CONECT 1308 1259 CONECT 1309 1255 1310 1312 1313 CONECT 1310 1309 1311 CONECT 1311 1310 CONECT 1312 1309 CONECT 1313 1309 CONECT 1314 1255 CONECT 1315 1254 CONECT 1316 1251 1317 1327 1328 CONECT 1317 1316 1318 1322 1326 CONECT 1318 1317 1319 1320 1321 CONECT 1319 1318 CONECT 1320 1318 CONECT 1321 1318 CONECT 1322 1317 1323 1324 1325 CONECT 1323 1322 CONECT 1324 1322 CONECT 1325 1322 CONECT 1326 1317 CONECT 1327 1316 CONECT 1328 1316 CONECT 1329 1251 CONECT 1330 1250 CONECT 1331 1247 1332 1338 1339 CONECT 1332 1331 1333 1336 1337 CONECT 1333 1246 1332 1334 1335 CONECT 1334 1333 CONECT 1335 1333 CONECT 1336 1332 CONECT 1337 1332 CONECT 1338 1331 CONECT 1339 1331 CONECT 1340 1247 CONECT 1341 1243 1342 1349 1353 CONECT 1342 1341 1343 1347 1348 CONECT 1343 1342 1344 1345 1346 CONECT 1344 1343 CONECT 1345 1343 CONECT 1346 1343 CONECT 1347 1342 CONECT 1348 1342 CONECT 1349 1341 1350 1351 1352 CONECT 1350 1349 CONECT 1351 1349 CONECT 1352 1349 CONECT 1353 1341 CONECT 1354 1243 CONECT 1355 1242 CONECT 1356 1239 1357 1363 1364 CONECT 1357 1356 1358 1361 1362 CONECT 1358 1357 1359 1360 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1357 CONECT 1362 1357 CONECT 1363 1356 CONECT 1364 1356 CONECT 1365 1239 CONECT 1366 1238 CONECT 1367 1235 1368 1374 1375 CONECT 1368 1367 1369 1372 1373 CONECT 1369 1234 1368 1370 1371 CONECT 1370 1369 CONECT 1371 1369 CONECT 1372 1368 CONECT 1373 1368 CONECT 1374 1367 CONECT 1375 1367 CONECT 1376 1235 CONECT 1377 1231 1378 1384 1385 CONECT 1378 1377 1379 1382 1383 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 CONECT 1382 1378 CONECT 1383 1378 CONECT 1384 1377 CONECT 1385 1377 CONECT 1386 1231 CONECT 1387 1230 CONECT 1388 1230 CONECT 1389 1230 MASTER 0 0 0 0 0 0 0 0 1388 1 164 10 END
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Entry Information
PDB ID
6b27
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SH3 and cysteine-rich domain-containing protein 2
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
1.73(Å)
Affinity (Kd/Ki/IC50)
Kd=9.3uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. E9520-E9528
Ligand Properties
Formula
C
5
1
H
8
3
N
1
3
O
1
6
Molecular Weight
1134.280
Exact Mass
1133.610
No. of atoms
163
No. of bonds
166
Polar Surface Area
452.52
LOGP Value
1.25 (
Computed with XLOGP3
)
-2.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C/C=C/[NH+]=C(N)N)CO)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)[NH3+])CCC(=O)O)C
InChI String
InChI=1S/C51H81N13O16/c1-5-28(4)40(60-41(70)30(17-19-39(68)69)56-43(72)34-12-7-21-61(34)46(75)29(52)16-18-38(66)67)49(78)63-23-9-14-36(63)45(74)58-32(25-27(2)3)42(71)59-33(26-65)48(77)62-22-8-13-35(62)44(73)57-31(11-6-20-55-51(53)54)47(76)64-24-10-15-37(64)50(79)80/h6,20,27-37,40,65H,5,7-19,21-26,52H2,1-4H3,(H,56,72)(H,57,73)(H,58,74)(H,59,71)(H,60,70)(H,66,67)(H,68,69)(H,79,80)(H4,53,54,55)/p+2/b20-6+/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,40-/m0/s1
Links to External Databases
RCSB PDB
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q6ZMT1
Q13698
Entrez Gene ID
NCBI Entrez Gene ID:
342667
779
ASD
Information of known allosteric effects of PDB entries
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