Browse entries in the PDBbind-CN Database
HEADER 4NMQ_COMPLEX COMPND 4NMQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 GLY PRO ILE ARG LYS VAL LEU LEU LEU LYS GLU ASP HIS SEQRES 2 A 87 GLU GLY LEU GLY ILE SER ILE THR GLY GLY LYS GLU HIS SEQRES 3 A 87 GLY VAL PRO ILE LEU ILE SER GLU ILE HIS PRO GLY GLN SEQRES 4 A 87 PRO ALA ASP ARG CYS GLY GLY LEU HIS VAL GLY ASP ALA SEQRES 5 A 87 ILE LEU ALA VAL ASN GLY VAL ASN LEU ARG ASP THR LYS SEQRES 6 A 87 HIS LYS GLU ALA VAL THR ILE LEU SER GLN GLN ARG GLY SEQRES 7 A 87 GLU ILE GLU PHE GLU VAL VAL TYR VAL HET ALA A 198 175 ATOM 1 N GLY A 284 24.973 28.586 50.151 1.00 11.59 N ATOM 2 CA GLY A 284 24.032 29.624 50.527 1.00 11.46 C ATOM 3 C GLY A 284 22.621 29.092 50.421 1.00 10.79 C ATOM 4 O GLY A 284 22.431 27.895 50.225 1.00 9.24 O ATOM 5 HN3 GLY A 284 24.787 28.290 49.172 1.00 0.00 H ATOM 6 HN2 GLY A 284 24.861 27.771 50.788 1.00 0.00 H ATOM 7 HN1 GLY A 284 25.942 28.955 50.225 1.00 0.00 H ATOM 8 N PRO A 285 21.623 29.973 50.545 1.00 10.40 N ATOM 9 CA PRO A 285 20.233 29.527 50.457 1.00 9.50 C ATOM 10 C PRO A 285 19.847 29.200 49.029 1.00 11.57 C ATOM 11 O PRO A 285 20.344 29.840 48.102 1.00 11.08 O ATOM 12 CB PRO A 285 19.459 30.755 50.909 1.00 12.55 C ATOM 13 CG PRO A 285 20.333 31.897 50.562 1.00 13.72 C ATOM 14 CD PRO A 285 21.725 31.419 50.810 1.00 10.58 C ATOM 15 N ILE A 286 18.974 28.221 48.854 1.00 9.60 N ATOM 16 CA ILE A 286 18.439 27.935 47.536 1.00 8.53 C ATOM 17 C ILE A 286 17.499 29.067 47.142 1.00 11.10 C ATOM 18 O ILE A 286 16.626 29.465 47.932 1.00 14.29 O ATOM 19 CB ILE A 286 17.702 26.594 47.510 1.00 9.78 C ATOM 20 CG1 ILE A 286 18.685 25.452 47.816 1.00 10.24 C ATOM 21 CG2 ILE A 286 16.999 26.413 46.166 1.00 12.15 C ATOM 22 CD1 ILE A 286 18.054 24.073 47.865 1.00 12.74 C ATOM 23 H ILE A 286 18.669 27.651 49.669 1.00 0.00 H ATOM 24 N ARG A 287 17.693 29.598 45.937 1.00 11.07 N ATOM 25 CA ARG A 287 16.893 30.720 45.432 1.00 10.19 C ATOM 26 C ARG A 287 16.105 30.337 44.189 1.00 9.11 C ATOM 27 O ARG A 287 16.562 29.519 43.386 1.00 9.00 O ATOM 28 CB ARG A 287 17.789 31.895 45.033 1.00 14.05 C ATOM 29 CG ARG A 287 18.472 32.612 46.166 1.00 17.72 C ATOM 30 CD ARG A 287 19.954 32.641 45.921 1.00 14.90 C ATOM 31 NE ARG A 287 20.312 33.256 44.643 1.00 10.90 N ATOM 32 CZ ARG A 287 21.427 32.966 43.981 1.00 11.79 C ATOM 33 NH1 ARG A 287 22.266 32.066 44.468 1.00 11.31 N ATOM 34 NH2 ARG A 287 21.700 33.570 42.835 1.00 8.89 N ATOM 35 HE ARG A 287 19.661 33.955 44.232 1.00 0.00 H ATOM 36 HH12 ARG A 287 23.140 31.837 43.952 1.00 0.00 H ATOM 37 HH11 ARG A 287 22.052 31.588 45.366 1.00 0.00 H ATOM 38 HH22 ARG A 287 22.574 33.339 42.321 1.00 0.00 H ATOM 39 HH21 ARG A 287 21.040 34.275 42.449 1.00 0.00 H ATOM 40 H ARG A 287 18.440 29.203 45.330 1.00 0.00 H ATOM 41 N LYS A 288 14.942 30.960 44.009 1.00 10.45 N ATOM 42 CA LYS A 288 14.225 30.908 42.741 1.00 9.11 C ATOM 43 C LYS A 288 14.402 32.246 42.033 1.00 8.64 C ATOM 44 O LYS A 288 14.181 33.302 42.635 1.00 11.95 O ATOM 45 CB LYS A 288 12.742 30.632 42.973 1.00 13.30 C ATOM 46 CG LYS A 288 12.448 29.274 43.589 1.00 25.05 C ATOM 47 CD LYS A 288 12.642 28.157 42.583 1.00 32.86 C ATOM 48 CE LYS A 288 12.269 26.809 43.181 1.00 37.35 C ATOM 49 NZ LYS A 288 10.882 26.821 43.721 1.00 42.41 N ATOM 50 HZ1 LYS A 288 10.807 27.545 44.464 1.00 0.00 H ATOM 51 HZ2 LYS A 288 10.214 27.039 42.954 1.00 0.00 H ATOM 52 HZ3 LYS A 288 10.659 25.887 44.121 1.00 0.00 H ATOM 53 H LYS A 288 14.533 31.500 44.798 1.00 0.00 H ATOM 54 N VAL A 289 14.820 32.195 40.772 1.00 6.45 N ATOM 55 CA VAL A 289 15.167 33.389 40.001 1.00 5.96 C ATOM 56 C VAL A 289 14.470 33.334 38.643 1.00 7.53 C ATOM 57 O VAL A 289 14.505 32.313 37.957 1.00 8.11 O ATOM 58 CB VAL A 289 16.702 33.451 39.783 1.00 8.25 C ATOM 59 CG1 VAL A 289 17.091 34.596 38.849 1.00 8.96 C ATOM 60 CG2 VAL A 289 17.428 33.575 41.116 1.00 9.60 C ATOM 61 H VAL A 289 14.904 31.265 40.313 1.00 0.00 H ATOM 62 N LEU A 290 13.824 34.427 38.248 1.00 5.18 N ATOM 63 CA LEU A 290 13.148 34.509 36.967 1.00 5.45 C ATOM 64 C LEU A 290 14.066 35.177 35.938 1.00 5.82 C ATOM 65 O LEU A 290 14.684 36.198 36.227 1.00 5.78 O ATOM 66 CB LEU A 290 11.856 35.320 37.126 1.00 5.54 C ATOM 67 CG LEU A 290 10.995 35.454 35.871 1.00 7.24 C ATOM 68 CD1 LEU A 290 10.508 34.105 35.408 1.00 9.22 C ATOM 69 CD2 LEU A 290 9.809 36.354 36.156 1.00 8.15 C ATOM 70 H LEU A 290 13.803 35.253 38.880 1.00 0.00 H ATOM 71 N LEU A 291 14.130 34.609 34.741 1.00 5.15 N ATOM 72 CA LEU A 291 14.874 35.189 33.633 1.00 4.86 C ATOM 73 C LEU A 291 13.907 35.345 32.460 1.00 5.85 C ATOM 74 O LEU A 291 13.112 34.451 32.188 1.00 5.88 O ATOM 75 CB LEU A 291 16.037 34.262 33.262 1.00 5.85 C ATOM 76 CG LEU A 291 16.921 34.647 32.078 1.00 4.46 C ATOM 77 CD1 LEU A 291 18.332 34.092 32.287 1.00 5.94 C ATOM 78 CD2 LEU A 291 16.337 34.182 30.743 1.00 5.95 C ATOM 79 H LEU A 291 13.627 33.711 34.588 1.00 0.00 H ATOM 80 N LEU A 292 13.961 36.491 31.790 1.00 4.89 N ATOM 81 CA LEU A 292 13.130 36.753 30.614 1.00 4.52 C ATOM 82 C LEU A 292 14.035 36.836 29.412 1.00 6.46 C ATOM 83 O LEU A 292 15.012 37.586 29.410 1.00 7.22 O ATOM 84 CB LEU A 292 12.398 38.087 30.759 1.00 6.15 C ATOM 85 CG LEU A 292 10.965 38.027 31.284 1.00 8.11 C ATOM 86 CD1 LEU A 292 10.857 37.247 32.578 1.00 9.80 C ATOM 87 CD2 LEU A 292 10.386 39.441 31.449 1.00 7.40 C ATOM 88 H LEU A 292 14.618 37.229 32.113 1.00 0.00 H ATOM 89 N LYS A 293 13.708 36.090 28.369 1.00 9.10 N ATOM 90 CA LYS A 293 14.465 36.250 27.142 1.00 13.68 C ATOM 91 C LYS A 293 13.607 36.108 25.907 1.00 13.04 C ATOM 92 O LYS A 293 12.543 35.509 25.945 1.00 11.84 O ATOM 93 CB LYS A 293 15.625 35.272 27.096 1.00 12.94 C ATOM 94 CG LYS A 293 15.259 33.858 26.722 1.00 13.35 C ATOM 95 CD LYS A 293 16.556 33.085 26.457 1.00 16.16 C ATOM 96 CE LYS A 293 16.373 31.958 25.484 1.00 21.38 C ATOM 97 NZ LYS A 293 16.095 32.448 24.108 1.00 12.65 N ATOM 98 HZ1 LYS A 293 15.225 33.017 24.113 1.00 0.00 H ATOM 99 HZ2 LYS A 293 16.891 33.033 23.782 1.00 0.00 H ATOM 100 HZ3 LYS A 293 15.976 31.636 23.470 1.00 0.00 H ATOM 101 H LYS A 293 12.927 35.406 28.428 1.00 0.00 H ATOM 102 N GLU A 294 14.079 36.693 24.813 1.00 10.52 N ATOM 103 CA GLU A 294 13.396 36.573 23.539 1.00 14.19 C ATOM 104 C GLU A 294 14.048 35.460 22.738 1.00 9.15 C ATOM 105 O GLU A 294 15.138 34.981 23.089 1.00 7.14 O ATOM 106 CB GLU A 294 13.475 37.891 22.768 1.00 20.46 C ATOM 107 CG GLU A 294 13.409 39.130 23.661 1.00 28.19 C ATOM 108 CD GLU A 294 12.066 39.279 24.346 1.00 23.71 C ATOM 109 OE1 GLU A 294 11.983 40.048 25.334 1.00 29.51 O ATOM 110 OE2 GLU A 294 11.097 38.631 23.891 1.00 25.57 O ATOM 111 H GLU A 294 14.956 37.249 24.870 1.00 0.00 H ATOM 112 N ASP A 295 13.388 35.033 21.668 1.00 12.08 N ATOM 113 CA ASP A 295 13.862 33.867 20.942 1.00 12.62 C ATOM 114 C ASP A 295 15.145 34.096 20.154 1.00 7.78 C ATOM 115 O ASP A 295 15.772 33.133 19.721 1.00 12.29 O ATOM 116 CB ASP A 295 12.784 33.324 19.994 1.00 16.04 C ATOM 117 CG ASP A 295 11.608 32.694 20.722 1.00 21.77 C ATOM 118 OD1 ASP A 295 11.660 32.546 21.960 1.00 17.52 O ATOM 119 OD2 ASP A 295 10.630 32.337 20.031 1.00 28.85 O ATOM 120 H ASP A 295 12.533 35.532 21.350 1.00 0.00 H ATOM 121 N HIS A 296 15.541 35.355 19.965 1.00 6.66 N ATOM 122 CA HIS A 296 16.739 35.646 19.165 1.00 6.25 C ATOM 123 C HIS A 296 18.022 35.613 19.985 1.00 5.89 C ATOM 124 O HIS A 296 19.105 35.815 19.436 1.00 8.37 O ATOM 125 CB HIS A 296 16.627 37.024 18.510 1.00 7.12 C ATOM 126 CG HIS A 296 16.798 38.150 19.475 1.00 5.78 C ATOM 127 ND1 HIS A 296 15.922 38.369 20.520 1.00 8.96 N ATOM 128 CD2 HIS A 296 17.759 39.096 19.581 1.00 7.57 C ATOM 129 CE1 HIS A 296 16.331 39.419 21.213 1.00 9.45 C ATOM 130 NE2 HIS A 296 17.447 39.874 20.668 1.00 8.40 N ATOM 131 H HIS A 296 14.999 36.136 20.386 1.00 0.00 H ATOM 132 N GLU A 297 17.914 35.403 21.292 1.00 6.29 N ATOM 133 CA GLU A 297 19.110 35.428 22.128 1.00 6.94 C ATOM 134 C GLU A 297 19.282 34.117 22.891 1.00 7.67 C ATOM 135 O GLU A 297 18.381 33.281 22.932 1.00 6.91 O ATOM 136 CB GLU A 297 19.092 36.649 23.065 1.00 17.59 C ATOM 137 CG GLU A 297 17.869 36.715 23.934 1.00 12.70 C ATOM 138 CD GLU A 297 17.556 38.118 24.515 1.00 9.03 C ATOM 139 OE1 GLU A 297 18.401 39.046 24.484 1.00 11.27 O ATOM 140 OE2 GLU A 297 16.439 38.246 25.030 1.00 11.19 O ATOM 141 H GLU A 297 16.982 35.222 21.717 1.00 0.00 H ATOM 142 N GLY A 298 20.477 33.918 23.437 1.00 6.71 N ATOM 143 CA GLY A 298 20.728 32.830 24.359 1.00 6.82 C ATOM 144 C GLY A 298 20.452 33.268 25.784 1.00 5.31 C ATOM 145 O GLY A 298 19.891 34.344 26.027 1.00 5.60 O ATOM 146 H GLY A 298 21.256 34.563 23.195 1.00 0.00 H ATOM 147 N LEU A 299 20.877 32.445 26.733 1.00 5.25 N ATOM 148 CA LEU A 299 20.687 32.755 28.143 1.00 5.26 C ATOM 149 C LEU A 299 21.663 33.816 28.616 1.00 5.16 C ATOM 150 O LEU A 299 21.350 34.592 29.518 1.00 6.48 O ATOM 151 CB LEU A 299 20.845 31.497 28.992 1.00 5.73 C ATOM 152 CG LEU A 299 19.711 30.490 28.812 1.00 5.00 C ATOM 153 CD1 LEU A 299 20.068 29.182 29.487 1.00 8.35 C ATOM 154 CD2 LEU A 299 18.408 31.021 29.376 1.00 6.69 C ATOM 155 H LEU A 299 21.355 31.561 26.465 1.00 0.00 H ATOM 156 N GLY A 300 22.851 33.846 28.019 1.00 5.31 N ATOM 157 CA GLY A 300 23.879 34.790 28.430 1.00 5.96 C ATOM 158 C GLY A 300 24.708 34.274 29.592 1.00 6.37 C ATOM 159 O GLY A 300 25.132 35.026 30.461 1.00 6.46 O ATOM 160 H GLY A 300 23.049 33.182 27.243 1.00 0.00 H ATOM 161 N ILE A 301 24.919 32.966 29.635 1.00 6.35 N ATOM 162 CA ILE A 301 25.798 32.413 30.657 1.00 5.38 C ATOM 163 C ILE A 301 26.758 31.414 30.047 1.00 6.24 C ATOM 164 O ILE A 301 26.515 30.870 28.967 1.00 7.28 O ATOM 165 CB ILE A 301 25.019 31.731 31.792 1.00 9.58 C ATOM 166 CG1 ILE A 301 24.238 30.542 31.262 1.00 9.39 C ATOM 167 CG2 ILE A 301 24.062 32.710 32.458 1.00 12.10 C ATOM 168 CD1 ILE A 301 23.490 29.793 32.345 1.00 10.91 C ATOM 169 H ILE A 301 24.460 32.339 28.944 1.00 0.00 H ATOM 170 N SER A 302 27.873 31.204 30.728 1.00 6.64 N ATOM 171 CA SER A 302 28.683 30.025 30.461 1.00 6.23 C ATOM 172 C SER A 302 28.512 29.107 31.645 1.00 6.84 C ATOM 173 O SER A 302 28.484 29.566 32.801 1.00 6.32 O ATOM 174 CB SER A 302 30.153 30.377 30.312 1.00 9.66 C ATOM 175 OG SER A 302 30.350 31.207 29.181 1.00 10.65 O ATOM 176 HG SER A 302 29.828 32.041 29.290 1.00 0.00 H ATOM 177 H SER A 302 28.171 31.884 31.456 1.00 0.00 H ATOM 178 N ILE A 303 28.377 27.812 31.361 1.00 5.70 N ATOM 179 CA ILE A 303 28.292 26.799 32.407 1.00 6.86 C ATOM 180 C ILE A 303 29.475 25.839 32.335 1.00 6.59 C ATOM 181 O ILE A 303 30.044 25.594 31.265 1.00 6.80 O ATOM 182 CB ILE A 303 26.978 25.981 32.357 1.00 7.19 C ATOM 183 CG1 ILE A 303 26.785 25.316 30.988 1.00 6.88 C ATOM 184 CG2 ILE A 303 25.774 26.853 32.741 1.00 7.31 C ATOM 185 CD1 ILE A 303 25.746 24.185 31.006 1.00 9.03 C ATOM 186 H ILE A 303 28.331 27.515 30.365 1.00 0.00 H ATOM 187 N THR A 304 29.853 25.315 33.492 1.00 6.82 N ATOM 188 CA THR A 304 30.925 24.347 33.576 1.00 8.03 C ATOM 189 C THR A 304 30.468 23.259 34.534 1.00 8.72 C ATOM 190 O THR A 304 29.432 23.390 35.196 1.00 10.92 O ATOM 191 CB THR A 304 32.243 25.010 34.021 1.00 8.29 C ATOM 192 OG1 THR A 304 33.331 24.099 33.804 1.00 11.73 O ATOM 193 CG2 THR A 304 32.189 25.457 35.485 1.00 10.09 C ATOM 194 HG1 THR A 304 34.178 24.524 34.090 1.00 0.00 H ATOM 195 H THR A 304 29.366 25.607 34.363 1.00 0.00 H ATOM 196 N GLY A 305 31.202 22.161 34.584 1.00 9.03 N ATOM 197 CA GLY A 305 30.847 21.084 35.491 1.00 10.66 C ATOM 198 C GLY A 305 29.832 20.116 34.925 1.00 8.99 C ATOM 199 O GLY A 305 29.677 19.997 33.711 1.00 10.33 O ATOM 200 H GLY A 305 32.037 22.068 33.971 1.00 0.00 H ATOM 201 N GLY A 306 29.144 19.413 35.823 1.00 10.16 N ATOM 202 CA GLY A 306 28.234 18.346 35.436 1.00 9.26 C ATOM 203 C GLY A 306 28.624 17.006 36.043 1.00 10.59 C ATOM 204 O GLY A 306 29.735 16.837 36.548 1.00 10.41 O ATOM 205 H GLY A 306 29.261 19.634 36.833 1.00 0.00 H ATOM 206 N LYS A 307 27.711 16.047 35.970 1.00 8.74 N ATOM 207 CA LYS A 307 27.852 14.776 36.680 1.00 13.51 C ATOM 208 C LYS A 307 29.150 14.038 36.387 1.00 14.83 C ATOM 209 O LYS A 307 29.717 13.401 37.272 1.00 14.45 O ATOM 210 CB LYS A 307 26.666 13.867 36.370 1.00 11.45 C ATOM 211 CG LYS A 307 26.649 12.567 37.160 1.00 17.93 C ATOM 212 CD LYS A 307 25.430 11.752 36.783 1.00 25.11 C ATOM 213 CE LYS A 307 25.449 11.391 35.306 1.00 26.78 C ATOM 214 NZ LYS A 307 26.019 10.026 35.074 1.00 27.52 N ATOM 215 HZ1 LYS A 307 26.995 9.994 35.431 1.00 0.00 H ATOM 216 HZ2 LYS A 307 25.442 9.321 35.576 1.00 0.00 H ATOM 217 HZ3 LYS A 307 26.014 9.818 34.055 1.00 0.00 H ATOM 218 H LYS A 307 26.864 16.204 35.387 1.00 0.00 H ATOM 219 N GLU A 308 29.620 14.109 35.147 1.00 10.91 N ATOM 220 CA GLU A 308 30.824 13.363 34.785 1.00 12.23 C ATOM 221 C GLU A 308 32.057 13.945 35.462 1.00 12.11 C ATOM 222 O GLU A 308 33.096 13.284 35.551 1.00 16.56 O ATOM 223 CB GLU A 308 31.007 13.306 33.264 1.00 13.03 C ATOM 224 CG GLU A 308 31.288 14.641 32.595 1.00 13.43 C ATOM 225 CD GLU A 308 30.032 15.314 32.070 1.00 13.43 C ATOM 226 OE1 GLU A 308 29.116 15.586 32.871 1.00 9.88 O ATOM 227 OE2 GLU A 308 29.975 15.583 30.849 1.00 19.08 O ATOM 228 H GLU A 308 29.134 14.693 34.437 1.00 0.00 H ATOM 229 N HIS A 309 31.943 15.173 35.953 1.00 12.61 N ATOM 230 CA HIS A 309 33.041 15.832 36.642 1.00 13.69 C ATOM 231 C HIS A 309 32.826 15.806 38.153 1.00 13.23 C ATOM 232 O HIS A 309 33.641 16.339 38.912 1.00 17.43 O ATOM 233 CB HIS A 309 33.185 17.279 36.153 1.00 16.73 C ATOM 234 CG HIS A 309 33.418 17.399 34.678 1.00 19.14 C ATOM 235 ND1 HIS A 309 34.526 16.867 34.055 1.00 18.52 N ATOM 236 CD2 HIS A 309 32.687 17.991 33.703 1.00 19.41 C ATOM 237 CE1 HIS A 309 34.468 17.123 32.760 1.00 15.46 C ATOM 238 NE2 HIS A 309 33.361 17.802 32.519 1.00 20.02 N ATOM 239 H HIS A 309 31.041 15.679 35.842 1.00 0.00 H ATOM 240 N GLY A 310 31.719 15.205 38.587 1.00 12.30 N ATOM 241 CA GLY A 310 31.415 15.092 40.004 1.00 14.64 C ATOM 242 C GLY A 310 30.987 16.381 40.684 1.00 14.84 C ATOM 243 O GLY A 310 31.029 16.484 41.911 1.00 19.88 O ATOM 244 H GLY A 310 31.055 14.806 37.893 1.00 0.00 H ATOM 245 N VAL A 311 30.568 17.367 39.899 1.00 13.00 N ATOM 246 CA VAL A 311 30.151 18.646 40.462 1.00 15.36 C ATOM 247 C VAL A 311 28.871 19.097 39.787 1.00 12.68 C ATOM 248 O VAL A 311 28.520 18.595 38.725 1.00 11.65 O ATOM 249 CB VAL A 311 31.225 19.728 40.295 1.00 15.45 C ATOM 250 CG1 VAL A 311 32.512 19.314 41.013 1.00 19.71 C ATOM 251 CG2 VAL A 311 31.485 19.994 38.825 1.00 16.38 C ATOM 252 H VAL A 311 30.537 17.225 38.869 1.00 0.00 H ATOM 253 N PRO A 312 28.154 20.043 40.407 1.00 11.39 N ATOM 254 CA PRO A 312 26.914 20.513 39.782 1.00 12.05 C ATOM 255 C PRO A 312 27.188 21.286 38.502 1.00 9.10 C ATOM 256 O PRO A 312 28.333 21.585 38.154 1.00 10.95 O ATOM 257 CB PRO A 312 26.330 21.482 40.823 1.00 13.27 C ATOM 258 CG PRO A 312 27.066 21.211 42.096 1.00 19.03 C ATOM 259 CD PRO A 312 28.416 20.692 41.703 1.00 15.01 C ATOM 260 N ILE A 313 26.118 21.618 37.797 1.00 7.05 N ATOM 261 CA ILE A 313 26.212 22.550 36.695 1.00 6.45 C ATOM 262 C ILE A 313 26.396 23.921 37.321 1.00 10.37 C ATOM 263 O ILE A 313 25.549 24.384 38.082 1.00 10.73 O ATOM 264 CB ILE A 313 24.925 22.516 35.856 1.00 8.00 C ATOM 265 CG1 ILE A 313 24.722 21.114 35.244 1.00 8.02 C ATOM 266 CG2 ILE A 313 24.952 23.600 34.791 1.00 7.71 C ATOM 267 CD1 ILE A 313 25.836 20.682 34.289 1.00 6.96 C ATOM 268 H ILE A 313 25.196 21.202 38.039 1.00 0.00 H ATOM 269 N LEU A 314 27.527 24.546 37.030 1.00 5.96 N ATOM 270 CA LEU A 314 27.910 25.800 37.658 1.00 6.13 C ATOM 271 C LEU A 314 27.999 26.931 36.653 1.00 7.54 C ATOM 272 O LEU A 314 28.530 26.765 35.559 1.00 8.07 O ATOM 273 CB LEU A 314 29.279 25.645 38.304 1.00 9.29 C ATOM 274 CG LEU A 314 29.339 24.688 39.488 1.00 11.69 C ATOM 275 CD1 LEU A 314 30.759 24.175 39.671 1.00 17.23 C ATOM 276 CD2 LEU A 314 28.846 25.419 40.722 1.00 13.16 C ATOM 277 H LEU A 314 28.165 24.124 36.326 1.00 0.00 H ATOM 278 N ILE A 315 27.498 28.097 37.033 1.00 6.94 N ATOM 279 CA ILE A 315 27.682 29.278 36.203 1.00 7.03 C ATOM 280 C ILE A 315 29.107 29.796 36.346 1.00 6.64 C ATOM 281 O ILE A 315 29.542 30.162 37.438 1.00 9.75 O ATOM 282 CB ILE A 315 26.692 30.374 36.592 1.00 6.59 C ATOM 283 CG1 ILE A 315 25.270 29.855 36.412 1.00 6.35 C ATOM 284 CG2 ILE A 315 26.910 31.616 35.750 1.00 8.49 C ATOM 285 CD1 ILE A 315 24.196 30.904 36.692 1.00 6.42 C ATOM 286 H ILE A 315 26.972 28.169 37.927 1.00 0.00 H ATOM 287 N SER A 316 29.835 29.818 35.239 1.00 6.64 N ATOM 288 CA SER A 316 31.203 30.310 35.259 1.00 6.31 C ATOM 289 C SER A 316 31.340 31.714 34.683 1.00 8.95 C ATOM 290 O SER A 316 32.340 32.381 34.926 1.00 12.32 O ATOM 291 CB SER A 316 32.140 29.347 34.531 1.00 8.61 C ATOM 292 OG SER A 316 31.768 29.181 33.179 1.00 9.10 O ATOM 293 HG SER A 316 32.395 28.553 32.740 1.00 0.00 H ATOM 294 H SER A 316 29.423 29.480 34.346 1.00 0.00 H ATOM 295 N GLU A 317 30.354 32.151 33.907 1.00 7.02 N ATOM 296 CA GLU A 317 30.353 33.503 33.361 1.00 8.17 C ATOM 297 C GLU A 317 28.926 33.998 33.218 1.00 7.59 C ATOM 298 O GLU A 317 28.019 33.224 32.894 1.00 6.35 O ATOM 299 CB GLU A 317 31.055 33.549 32.000 1.00 11.90 C ATOM 300 CG GLU A 317 32.544 33.253 32.061 1.00 17.15 C ATOM 301 CD GLU A 317 33.251 33.515 30.745 1.00 28.08 C ATOM 302 OE1 GLU A 317 32.670 33.218 29.680 1.00 30.43 O ATOM 303 OE2 GLU A 317 34.392 34.016 30.782 1.00 26.86 O ATOM 304 H GLU A 317 29.564 31.513 33.684 1.00 0.00 H ATOM 305 N ILE A 318 28.740 35.294 33.467 1.00 7.28 N ATOM 306 CA ILE A 318 27.498 36.001 33.151 1.00 7.91 C ATOM 307 C ILE A 318 27.895 37.031 32.096 1.00 8.31 C ATOM 308 O ILE A 318 28.704 37.922 32.366 1.00 8.96 O ATOM 309 CB ILE A 318 26.924 36.731 34.388 1.00 6.72 C ATOM 310 CG1 ILE A 318 26.495 35.734 35.475 1.00 11.23 C ATOM 311 CG2 ILE A 318 25.743 37.627 33.979 1.00 9.42 C ATOM 312 CD1 ILE A 318 25.326 34.866 35.082 1.00 13.70 C ATOM 313 H ILE A 318 29.515 35.829 33.907 1.00 0.00 H ATOM 314 N HIS A 319 27.347 36.913 30.893 1.00 5.74 N ATOM 315 CA HIS A 319 27.780 37.764 29.791 1.00 6.94 C ATOM 316 C HIS A 319 27.066 39.112 29.800 1.00 7.87 C ATOM 317 O HIS A 319 25.855 39.177 29.992 1.00 6.78 O ATOM 318 CB HIS A 319 27.604 37.020 28.474 1.00 9.78 C ATOM 319 CG HIS A 319 28.360 35.731 28.439 1.00 10.12 C ATOM 320 ND1 HIS A 319 29.733 35.670 28.568 1.00 18.20 N ATOM 321 CD2 HIS A 319 27.931 34.451 28.355 1.00 12.14 C ATOM 322 CE1 HIS A 319 30.116 34.406 28.528 1.00 16.19 C ATOM 323 NE2 HIS A 319 29.042 33.648 28.401 1.00 14.64 N ATOM 324 H HIS A 319 26.601 36.206 30.735 1.00 0.00 H ATOM 325 N PRO A 320 27.819 40.198 29.631 1.00 6.16 N ATOM 326 CA PRO A 320 27.229 41.520 29.857 1.00 6.59 C ATOM 327 C PRO A 320 26.081 41.843 28.906 1.00 7.14 C ATOM 328 O PRO A 320 26.160 41.618 27.690 1.00 8.46 O ATOM 329 CB PRO A 320 28.411 42.482 29.637 1.00 8.61 C ATOM 330 CG PRO A 320 29.368 41.708 28.802 1.00 8.99 C ATOM 331 CD PRO A 320 29.236 40.279 29.243 1.00 7.67 C ATOM 332 N GLY A 321 25.003 42.360 29.479 1.00 6.06 N ATOM 333 CA GLY A 321 23.869 42.816 28.697 1.00 7.51 C ATOM 334 C GLY A 321 22.936 41.740 28.158 1.00 6.68 C ATOM 335 O GLY A 321 21.931 42.067 27.532 1.00 9.14 O ATOM 336 H GLY A 321 24.969 42.441 30.515 1.00 0.00 H ATOM 337 N GLN A 322 23.256 40.467 28.403 1.00 5.71 N ATOM 338 CA GLN A 322 22.433 39.343 27.930 1.00 4.81 C ATOM 339 C GLN A 322 21.421 38.963 29.017 1.00 6.05 C ATOM 340 O GLN A 322 21.441 39.544 30.095 1.00 5.21 O ATOM 341 CB GLN A 322 23.329 38.182 27.473 1.00 6.28 C ATOM 342 CG GLN A 322 24.253 38.595 26.320 1.00 7.12 C ATOM 343 CD GLN A 322 23.489 39.259 25.193 1.00 12.44 C ATOM 344 OE1 GLN A 322 22.559 38.677 24.631 1.00 14.95 O ATOM 345 NE2 GLN A 322 23.860 40.496 24.870 1.00 18.00 N ATOM 346 HE22 GLN A 322 24.651 40.949 25.371 1.00 0.00 H ATOM 347 HE21 GLN A 322 23.359 41.009 24.117 1.00 0.00 H ATOM 348 H GLN A 322 24.118 40.263 28.948 1.00 0.00 H ATOM 349 N PRO A 323 20.502 38.026 28.729 1.00 4.30 N ATOM 350 CA PRO A 323 19.371 37.884 29.654 1.00 3.95 C ATOM 351 C PRO A 323 19.725 37.578 31.107 1.00 4.82 C ATOM 352 O PRO A 323 19.053 38.113 32.008 1.00 6.20 O ATOM 353 CB PRO A 323 18.542 36.768 29.016 1.00 5.05 C ATOM 354 CG PRO A 323 18.778 36.985 27.552 1.00 6.53 C ATOM 355 CD PRO A 323 20.243 37.348 27.447 1.00 5.81 C ATOM 356 N ALA A 324 20.726 36.739 31.360 1.00 4.47 N ATOM 357 CA ALA A 324 21.054 36.418 32.742 1.00 5.90 C ATOM 358 C ALA A 324 21.545 37.655 33.486 1.00 4.91 C ATOM 359 O ALA A 324 21.170 37.880 34.628 1.00 7.08 O ATOM 360 CB ALA A 324 22.071 35.309 32.823 1.00 6.48 C ATOM 361 H ALA A 324 21.268 36.317 30.579 1.00 0.00 H ATOM 362 N ASP A 325 22.364 38.467 32.829 1.00 5.78 N ATOM 363 CA ASP A 325 22.835 39.699 33.434 1.00 4.78 C ATOM 364 C ASP A 325 21.653 40.609 33.708 1.00 7.56 C ATOM 365 O ASP A 325 21.531 41.173 34.796 1.00 8.09 O ATOM 366 CB ASP A 325 23.808 40.388 32.473 1.00 5.43 C ATOM 367 CG ASP A 325 24.492 41.588 33.079 1.00 7.45 C ATOM 368 OD1 ASP A 325 24.667 41.622 34.310 1.00 8.82 O ATOM 369 OD2 ASP A 325 24.848 42.494 32.300 1.00 10.39 O ATOM 370 H ASP A 325 22.672 38.217 31.868 1.00 0.00 H ATOM 371 N ARG A 326 20.779 40.748 32.718 1.00 6.03 N ATOM 372 CA ARG A 326 19.649 41.662 32.841 1.00 6.85 C ATOM 373 C ARG A 326 18.656 41.236 33.923 1.00 7.91 C ATOM 374 O ARG A 326 18.033 42.093 34.550 1.00 7.29 O ATOM 375 CB ARG A 326 18.910 41.815 31.502 1.00 9.33 C ATOM 376 CG ARG A 326 19.807 42.252 30.373 1.00 7.34 C ATOM 377 CD ARG A 326 19.038 42.712 29.151 1.00 8.24 C ATOM 378 NE ARG A 326 18.060 41.754 28.620 1.00 8.11 N ATOM 379 CZ ARG A 326 18.232 41.043 27.503 1.00 7.46 C ATOM 380 NH1 ARG A 326 19.362 41.123 26.811 1.00 10.25 N ATOM 381 NH2 ARG A 326 17.256 40.256 27.085 1.00 8.94 N ATOM 382 HE ARG A 326 17.175 41.620 29.149 1.00 0.00 H ATOM 383 HH12 ARG A 326 19.481 40.563 25.943 1.00 0.00 H ATOM 384 HH11 ARG A 326 20.128 41.746 27.137 1.00 0.00 H ATOM 385 HH22 ARG A 326 17.375 39.696 26.217 1.00 0.00 H ATOM 386 HH21 ARG A 326 16.369 40.197 27.624 1.00 0.00 H ATOM 387 H ARG A 326 20.902 40.198 31.844 1.00 0.00 H ATOM 388 N CYS A 327 18.511 39.931 34.154 1.00 6.63 N ATOM 389 CA CYS A 327 17.534 39.451 35.136 1.00 7.92 C ATOM 390 C CYS A 327 17.928 39.813 36.559 1.00 9.30 C ATOM 391 O CYS A 327 17.066 39.948 37.422 1.00 9.05 O ATOM 392 CB CYS A 327 17.259 37.935 35.001 1.00 9.85 C ATOM 393 SG CYS A 327 18.295 36.770 35.963 1.00 9.98 S ATOM 394 H CYS A 327 19.096 39.247 33.633 1.00 0.00 H ATOM 395 N GLY A 328 19.230 39.959 36.807 1.00 8.04 N ATOM 396 CA GLY A 328 19.712 40.458 38.088 1.00 10.31 C ATOM 397 C GLY A 328 20.032 39.449 39.190 1.00 10.98 C ATOM 398 O GLY A 328 20.761 39.765 40.133 1.00 11.72 O ATOM 399 H GLY A 328 19.918 39.711 36.068 1.00 0.00 H ATOM 400 N GLY A 329 19.496 38.238 39.069 1.00 8.41 N ATOM 401 CA GLY A 329 19.516 37.268 40.155 1.00 8.51 C ATOM 402 C GLY A 329 20.423 36.070 39.976 1.00 8.32 C ATOM 403 O GLY A 329 20.430 35.175 40.810 1.00 9.52 O ATOM 404 H GLY A 329 19.047 37.975 38.168 1.00 0.00 H ATOM 405 N LEU A 330 21.186 36.039 38.889 1.00 6.70 N ATOM 406 CA LEU A 330 22.073 34.908 38.614 1.00 7.52 C ATOM 407 C LEU A 330 23.507 35.377 38.645 1.00 8.12 C ATOM 408 O LEU A 330 23.820 36.434 38.085 1.00 12.13 O ATOM 409 CB LEU A 330 21.796 34.317 37.238 1.00 8.09 C ATOM 410 CG LEU A 330 20.425 33.673 37.039 1.00 7.85 C ATOM 411 CD1 LEU A 330 20.281 33.198 35.613 1.00 10.07 C ATOM 412 CD2 LEU A 330 20.238 32.523 37.998 1.00 8.37 C ATOM 413 H LEU A 330 21.152 36.835 38.220 1.00 0.00 H ATOM 414 N HIS A 331 24.394 34.596 39.260 1.00 8.17 N ATOM 415 CA HIS A 331 25.770 35.047 39.420 1.00 9.15 C ATOM 416 C HIS A 331 26.789 33.948 39.214 1.00 10.03 C ATOM 417 O HIS A 331 26.496 32.763 39.376 1.00 9.13 O ATOM 418 CB HIS A 331 25.962 35.681 40.792 1.00 11.06 C ATOM 419 CG HIS A 331 24.885 36.657 41.145 1.00 15.63 C ATOM 420 ND1 HIS A 331 24.783 37.899 40.553 1.00 15.94 N ATOM 421 CD2 HIS A 331 23.842 36.559 42.000 1.00 16.00 C ATOM 422 CE1 HIS A 331 23.730 38.529 41.041 1.00 17.02 C ATOM 423 NE2 HIS A 331 23.145 37.742 41.926 1.00 17.28 N ATOM 424 H HIS A 331 24.105 33.666 39.625 1.00 0.00 H ATOM 425 N VAL A 332 28.001 34.360 38.864 1.00 8.46 N ATOM 426 CA VAL A 332 29.097 33.421 38.731 1.00 9.73 C ATOM 427 C VAL A 332 29.252 32.672 40.045 1.00 9.61 C ATOM 428 O VAL A 332 29.230 33.269 41.125 1.00 10.16 O ATOM 429 CB VAL A 332 30.402 34.145 38.367 1.00 9.97 C ATOM 430 CG1 VAL A 332 31.600 33.204 38.466 1.00 13.59 C ATOM 431 CG2 VAL A 332 30.297 34.744 36.980 1.00 11.64 C ATOM 432 H VAL A 332 28.167 35.371 38.683 1.00 0.00 H ATOM 433 N GLY A 333 29.371 31.352 39.960 1.00 8.83 N ATOM 434 CA GLY A 333 29.471 30.545 41.160 1.00 8.99 C ATOM 435 C GLY A 333 28.169 29.879 41.562 1.00 8.23 C ATOM 436 O GLY A 333 28.177 28.956 42.387 1.00 12.39 O ATOM 437 H GLY A 333 29.393 30.894 39.026 1.00 0.00 H ATOM 438 N ASP A 334 27.048 30.335 41.008 1.00 8.52 N ATOM 439 CA ASP A 334 25.771 29.679 41.280 1.00 7.40 C ATOM 440 C ASP A 334 25.748 28.301 40.647 1.00 7.74 C ATOM 441 O ASP A 334 26.145 28.135 39.492 1.00 9.78 O ATOM 442 CB ASP A 334 24.610 30.475 40.687 1.00 7.99 C ATOM 443 CG ASP A 334 24.206 31.662 41.539 1.00 9.89 C ATOM 444 OD1 ASP A 334 24.569 31.716 42.732 1.00 9.97 O ATOM 445 OD2 ASP A 334 23.497 32.545 41.009 1.00 8.62 O ATOM 446 H ASP A 334 27.081 31.162 40.378 1.00 0.00 H ATOM 447 N ALA A 335 25.282 27.316 41.405 1.00 6.89 N ATOM 448 CA ALA A 335 24.963 26.012 40.849 1.00 7.90 C ATOM 449 C ALA A 335 23.520 26.053 40.382 1.00 8.90 C ATOM 450 O ALA A 335 22.648 26.579 41.088 1.00 8.51 O ATOM 451 CB ALA A 335 25.150 24.923 41.905 1.00 8.16 C ATOM 452 H ALA A 335 25.142 27.482 42.422 1.00 0.00 H ATOM 453 N ILE A 336 23.264 25.520 39.191 1.00 6.95 N ATOM 454 CA ILE A 336 21.896 25.450 38.682 1.00 7.00 C ATOM 455 C ILE A 336 21.286 24.116 39.059 1.00 7.72 C ATOM 456 O ILE A 336 21.668 23.065 38.538 1.00 8.93 O ATOM 457 CB ILE A 336 21.817 25.664 37.153 1.00 7.10 C ATOM 458 CG1 ILE A 336 22.581 26.931 36.760 1.00 8.87 C ATOM 459 CG2 ILE A 336 20.360 25.770 36.721 1.00 8.08 C ATOM 460 CD1 ILE A 336 22.652 27.194 35.250 1.00 7.38 C ATOM 461 H ILE A 336 24.046 25.149 38.615 1.00 0.00 H ATOM 462 N LEU A 337 20.348 24.165 39.993 1.00 8.98 N ATOM 463 CA LEU A 337 19.710 22.968 40.511 1.00 7.85 C ATOM 464 C LEU A 337 18.557 22.500 39.630 1.00 7.65 C ATOM 465 O LEU A 337 18.338 21.300 39.476 1.00 10.68 O ATOM 466 CB LEU A 337 19.231 23.205 41.953 1.00 8.85 C ATOM 467 CG LEU A 337 20.265 23.705 42.967 1.00 12.06 C ATOM 468 CD1 LEU A 337 19.621 23.882 44.344 1.00 12.95 C ATOM 469 CD2 LEU A 337 21.482 22.770 43.055 1.00 11.43 C ATOM 470 H LEU A 337 20.059 25.091 40.368 1.00 0.00 H ATOM 471 N ALA A 338 17.816 23.444 39.057 1.00 8.15 N ATOM 472 CA ALA A 338 16.709 23.130 38.156 1.00 7.04 C ATOM 473 C ALA A 338 16.389 24.323 37.257 1.00 7.84 C ATOM 474 O ALA A 338 16.701 25.477 37.584 1.00 7.69 O ATOM 475 CB ALA A 338 15.463 22.717 38.941 1.00 9.61 C ATOM 476 H ALA A 338 18.032 24.441 39.257 1.00 0.00 H ATOM 477 N VAL A 339 15.785 24.034 36.110 1.00 7.43 N ATOM 478 CA VAL A 339 15.273 25.084 35.245 1.00 6.19 C ATOM 479 C VAL A 339 13.866 24.706 34.805 1.00 8.24 C ATOM 480 O VAL A 339 13.647 23.599 34.315 1.00 8.21 O ATOM 481 CB VAL A 339 16.219 25.358 34.051 1.00 6.75 C ATOM 482 CG1 VAL A 339 16.295 24.146 33.120 1.00 6.60 C ATOM 483 CG2 VAL A 339 15.781 26.609 33.287 1.00 7.23 C ATOM 484 H VAL A 339 15.677 23.039 35.826 1.00 0.00 H ATOM 485 N ASN A 340 12.909 25.613 35.016 1.00 8.41 N ATOM 486 CA ASN A 340 11.503 25.334 34.741 1.00 9.53 C ATOM 487 C ASN A 340 11.060 23.989 35.314 1.00 8.88 C ATOM 488 O ASN A 340 10.341 23.227 34.666 1.00 11.28 O ATOM 489 CB ASN A 340 11.208 25.416 33.235 1.00 9.34 C ATOM 490 CG ASN A 340 11.110 26.847 32.740 1.00 9.77 C ATOM 491 OD1 ASN A 340 10.788 27.765 33.506 1.00 8.50 O ATOM 492 ND2 ASN A 340 11.338 27.040 31.455 1.00 9.86 N ATOM 493 HD22 ASN A 340 11.606 26.239 30.848 1.00 0.00 H ATOM 494 HD21 ASN A 340 11.249 27.993 31.049 1.00 0.00 H ATOM 495 H ASN A 340 13.174 26.547 35.388 1.00 0.00 H ATOM 496 N GLY A 341 11.515 23.687 36.524 1.00 11.93 N ATOM 497 CA GLY A 341 11.116 22.454 37.178 1.00 10.24 C ATOM 498 C GLY A 341 11.888 21.216 36.749 1.00 13.05 C ATOM 499 O GLY A 341 11.655 20.143 37.300 1.00 14.91 O ATOM 500 H GLY A 341 12.164 24.340 37.008 1.00 0.00 H ATOM 501 N VAL A 342 12.789 21.345 35.776 1.00 11.72 N ATOM 502 CA VAL A 342 13.616 20.218 35.337 1.00 13.13 C ATOM 503 C VAL A 342 14.895 20.149 36.167 1.00 14.68 C ATOM 504 O VAL A 342 15.720 21.056 36.110 1.00 11.97 O ATOM 505 CB VAL A 342 14.013 20.341 33.855 1.00 13.39 C ATOM 506 CG1 VAL A 342 14.805 19.116 33.415 1.00 14.34 C ATOM 507 CG2 VAL A 342 12.783 20.508 32.983 1.00 12.72 C ATOM 508 H VAL A 342 12.908 22.270 35.316 1.00 0.00 H ATOM 509 N ASN A 343 15.063 19.072 36.929 1.00 13.21 N ATOM 510 CA ASN A 343 16.206 18.931 37.819 1.00 11.03 C ATOM 511 C ASN A 343 17.492 18.789 37.013 1.00 15.92 C ATOM 512 O ASN A 343 17.539 18.057 36.022 1.00 18.83 O ATOM 513 CB ASN A 343 16.033 17.702 38.733 1.00 12.73 C ATOM 514 CG ASN A 343 17.033 17.673 39.866 1.00 15.08 C ATOM 515 OD1 ASN A 343 18.228 17.536 39.645 1.00 23.96 O ATOM 516 ND2 ASN A 343 16.541 17.790 41.098 1.00 30.01 N ATOM 517 HD22 ASN A 343 15.517 17.905 41.240 1.00 0.00 H ATOM 518 HD21 ASN A 343 17.181 17.766 41.918 1.00 0.00 H ATOM 519 H ASN A 343 14.358 18.309 36.888 1.00 0.00 H ATOM 520 N LEU A 344 18.529 19.505 37.431 1.00 11.09 N ATOM 521 CA LEU A 344 19.821 19.437 36.762 1.00 9.98 C ATOM 522 C LEU A 344 20.937 18.936 37.679 1.00 11.09 C ATOM 523 O LEU A 344 22.106 18.995 37.322 1.00 14.47 O ATOM 524 CB LEU A 344 20.188 20.817 36.205 1.00 10.28 C ATOM 525 CG LEU A 344 19.272 21.382 35.117 1.00 8.51 C ATOM 526 CD1 LEU A 344 19.654 22.824 34.792 1.00 13.91 C ATOM 527 CD2 LEU A 344 19.346 20.521 33.875 1.00 12.66 C ATOM 528 H LEU A 344 18.416 20.129 38.255 1.00 0.00 H ATOM 529 N ARG A 345 20.586 18.423 38.856 1.00 12.92 N ATOM 530 CA ARG A 345 21.617 18.066 39.835 1.00 14.08 C ATOM 531 C ARG A 345 22.391 16.790 39.510 1.00 14.14 C ATOM 532 O ARG A 345 23.512 16.597 39.992 1.00 20.56 O ATOM 533 CB ARG A 345 21.030 17.995 41.247 1.00 15.49 C ATOM 534 CG ARG A 345 20.498 19.335 41.734 1.00 18.70 C ATOM 535 CD ARG A 345 19.940 19.228 43.132 1.00 23.28 C ATOM 536 NE ARG A 345 20.956 18.786 44.081 1.00 22.40 N ATOM 537 CZ ARG A 345 20.712 18.530 45.362 1.00 36.81 C ATOM 538 NH1 ARG A 345 21.694 18.130 46.159 1.00 40.54 N ATOM 539 NH2 ARG A 345 19.483 18.673 45.843 1.00 36.32 N ATOM 540 HE ARG A 345 21.929 18.664 43.734 1.00 0.00 H ATOM 541 HH12 ARG A 345 21.502 17.930 47.161 1.00 0.00 H ATOM 542 HH11 ARG A 345 22.656 18.016 45.782 1.00 0.00 H ATOM 543 HH22 ARG A 345 19.290 18.473 46.845 1.00 0.00 H ATOM 544 HH21 ARG A 345 18.713 18.985 45.218 1.00 0.00 H ATOM 545 H ARG A 345 19.581 18.276 39.081 1.00 0.00 H ATOM 546 N ASP A 346 21.806 15.919 38.701 1.00 15.74 N ATOM 547 CA ASP A 346 22.472 14.659 38.367 1.00 19.80 C ATOM 548 C ASP A 346 22.695 14.556 36.869 1.00 18.72 C ATOM 549 O ASP A 346 22.775 13.467 36.310 1.00 22.21 O ATOM 550 CB ASP A 346 21.648 13.469 38.861 1.00 30.12 C ATOM 551 CG ASP A 346 21.431 13.496 40.359 1.00 43.37 C ATOM 552 OD1 ASP A 346 22.368 13.891 41.086 1.00 45.19 O ATOM 553 OD2 ASP A 346 20.322 13.127 40.807 1.00 48.68 O ATOM 554 H ASP A 346 20.870 16.131 38.302 1.00 0.00 H ATOM 555 N THR A 347 22.789 15.704 36.220 1.00 14.14 N ATOM 556 CA THR A 347 22.870 15.741 34.771 1.00 11.78 C ATOM 557 C THR A 347 24.297 15.933 34.295 1.00 9.55 C ATOM 558 O THR A 347 25.087 16.674 34.903 1.00 10.20 O ATOM 559 CB THR A 347 21.976 16.850 34.184 1.00 17.08 C ATOM 560 OG1 THR A 347 22.477 18.138 34.569 1.00 22.28 O ATOM 561 CG2 THR A 347 20.558 16.681 34.707 1.00 18.29 C ATOM 562 HG1 THR A 347 22.479 18.208 35.556 1.00 0.00 H ATOM 563 H THR A 347 22.805 16.595 36.756 1.00 0.00 H ATOM 564 N LYS A 348 24.623 15.243 33.210 1.00 7.44 N ATOM 565 CA LYS A 348 25.900 15.417 32.550 1.00 9.12 C ATOM 566 C LYS A 348 25.918 16.760 31.841 1.00 8.01 C ATOM 567 O LYS A 348 24.879 17.338 31.528 1.00 7.79 O ATOM 568 CB LYS A 348 26.149 14.277 31.568 1.00 9.72 C ATOM 569 CG LYS A 348 26.363 12.947 32.276 1.00 12.06 C ATOM 570 CD LYS A 348 26.189 11.768 31.339 1.00 21.06 C ATOM 571 CE LYS A 348 27.173 11.795 30.203 1.00 25.12 C ATOM 572 NZ LYS A 348 27.047 10.531 29.424 1.00 25.37 N ATOM 573 HZ1 LYS A 348 27.248 9.721 30.045 1.00 0.00 H ATOM 574 HZ2 LYS A 348 26.080 10.451 29.050 1.00 0.00 H ATOM 575 HZ3 LYS A 348 27.725 10.542 28.636 1.00 0.00 H ATOM 576 H LYS A 348 23.943 14.558 32.823 1.00 0.00 H ATOM 577 N HIS A 349 27.116 17.263 31.604 1.00 6.73 N ATOM 578 CA HIS A 349 27.278 18.585 31.030 1.00 6.42 C ATOM 579 C HIS A 349 26.421 18.831 29.785 1.00 6.59 C ATOM 580 O HIS A 349 25.659 19.798 29.733 1.00 6.36 O ATOM 581 CB HIS A 349 28.754 18.836 30.704 1.00 6.69 C ATOM 582 CG HIS A 349 29.020 20.224 30.217 1.00 6.73 C ATOM 583 ND1 HIS A 349 29.372 21.253 31.067 1.00 7.14 N ATOM 584 CD2 HIS A 349 28.922 20.775 28.983 1.00 7.59 C ATOM 585 CE1 HIS A 349 29.507 22.368 30.374 1.00 6.82 C ATOM 586 NE2 HIS A 349 29.243 22.106 29.106 1.00 6.62 N ATOM 587 H HIS A 349 27.960 16.700 31.834 1.00 0.00 H ATOM 588 N LYS A 350 26.555 17.962 28.787 1.00 6.67 N ATOM 589 CA LYS A 350 25.852 18.155 27.521 1.00 6.52 C ATOM 590 C LYS A 350 24.349 17.984 27.683 1.00 6.07 C ATOM 591 O LYS A 350 23.566 18.636 26.991 1.00 5.34 O ATOM 592 CB LYS A 350 26.394 17.218 26.434 1.00 5.19 C ATOM 593 CG LYS A 350 27.858 17.484 26.065 1.00 6.62 C ATOM 594 CD LYS A 350 28.320 16.678 24.853 1.00 6.52 C ATOM 595 CE LYS A 350 27.793 17.264 23.542 1.00 7.42 C ATOM 596 NZ LYS A 350 28.117 16.423 22.341 1.00 11.36 N ATOM 597 HZ1 LYS A 350 29.149 16.332 22.251 1.00 0.00 H ATOM 598 HZ2 LYS A 350 27.694 15.480 22.455 1.00 0.00 H ATOM 599 HZ3 LYS A 350 27.732 16.876 21.488 1.00 0.00 H ATOM 600 H LYS A 350 27.170 17.132 28.910 1.00 0.00 H ATOM 601 N GLU A 351 23.939 17.122 28.609 1.00 6.26 N ATOM 602 CA GLU A 351 22.513 16.966 28.904 1.00 6.94 C ATOM 603 C GLU A 351 21.965 18.310 29.379 1.00 6.96 C ATOM 604 O GLU A 351 20.914 18.766 28.917 1.00 7.43 O ATOM 605 CB GLU A 351 22.287 15.888 29.964 1.00 6.42 C ATOM 606 CG GLU A 351 22.646 14.496 29.474 1.00 7.50 C ATOM 607 CD GLU A 351 22.700 13.474 30.570 1.00 11.24 C ATOM 608 OE1 GLU A 351 22.538 13.831 31.751 1.00 10.96 O ATOM 609 OE2 GLU A 351 22.895 12.290 30.238 1.00 13.15 O ATOM 610 H GLU A 351 24.638 16.553 29.129 1.00 0.00 H ATOM 611 N ALA A 352 22.701 18.954 30.284 1.00 6.45 N ATOM 612 CA ALA A 352 22.293 20.258 30.798 1.00 6.03 C ATOM 613 C ALA A 352 22.235 21.315 29.690 1.00 4.94 C ATOM 614 O ALA A 352 21.368 22.188 29.702 1.00 5.68 O ATOM 615 CB ALA A 352 23.224 20.717 31.931 1.00 8.45 C ATOM 616 H ALA A 352 23.581 18.520 30.630 1.00 0.00 H ATOM 617 N VAL A 353 23.182 21.271 28.756 1.00 4.94 N ATOM 618 CA VAL A 353 23.182 22.230 27.653 1.00 4.35 C ATOM 619 C VAL A 353 21.894 22.102 26.852 1.00 5.79 C ATOM 620 O VAL A 353 21.229 23.088 26.568 1.00 6.07 O ATOM 621 CB VAL A 353 24.409 22.069 26.720 1.00 6.92 C ATOM 622 CG1 VAL A 353 24.244 22.909 25.452 1.00 6.32 C ATOM 623 CG2 VAL A 353 25.688 22.458 27.450 1.00 8.74 C ATOM 624 H VAL A 353 23.928 20.548 28.811 1.00 0.00 H ATOM 625 N THR A 354 21.544 20.877 26.490 1.00 6.33 N ATOM 626 CA THR A 354 20.321 20.669 25.735 1.00 5.84 C ATOM 627 C THR A 354 19.095 21.177 26.505 1.00 5.72 C ATOM 628 O THR A 354 18.253 21.908 25.964 1.00 6.35 O ATOM 629 CB THR A 354 20.160 19.195 25.366 1.00 6.47 C ATOM 630 OG1 THR A 354 21.155 18.857 24.398 1.00 9.54 O ATOM 631 CG2 THR A 354 18.776 18.935 24.772 1.00 10.32 C ATOM 632 HG1 THR A 354 21.036 19.422 23.593 1.00 0.00 H ATOM 633 H THR A 354 22.143 20.066 26.746 1.00 0.00 H ATOM 634 N ILE A 355 18.991 20.795 27.773 1.00 6.01 N ATOM 635 CA ILE A 355 17.849 21.194 28.580 1.00 5.88 C ATOM 636 C ILE A 355 17.780 22.716 28.703 1.00 6.70 C ATOM 637 O ILE A 355 16.735 23.319 28.446 1.00 6.32 O ATOM 638 CB ILE A 355 17.905 20.539 29.973 1.00 5.51 C ATOM 639 CG1 ILE A 355 17.751 19.016 29.855 1.00 7.29 C ATOM 640 CG2 ILE A 355 16.819 21.106 30.882 1.00 7.08 C ATOM 641 CD1 ILE A 355 18.179 18.284 31.122 1.00 8.08 C ATOM 642 H ILE A 355 19.736 20.203 28.194 1.00 0.00 H ATOM 643 N LEU A 356 18.890 23.336 29.087 1.00 4.70 N ATOM 644 CA LEU A 356 18.902 24.790 29.274 1.00 5.30 C ATOM 645 C LEU A 356 18.597 25.560 27.993 1.00 5.17 C ATOM 646 O LEU A 356 17.819 26.519 28.012 1.00 4.75 O ATOM 647 CB LEU A 356 20.239 25.249 29.871 1.00 4.50 C ATOM 648 CG LEU A 356 20.416 24.904 31.355 1.00 5.80 C ATOM 649 CD1 LEU A 356 21.887 24.849 31.722 1.00 6.72 C ATOM 650 CD2 LEU A 356 19.662 25.905 32.223 1.00 6.20 C ATOM 651 H LEU A 356 19.757 22.786 29.256 1.00 0.00 H ATOM 652 N SER A 357 19.198 25.147 26.879 1.00 4.59 N ATOM 653 CA SER A 357 18.991 25.838 25.606 1.00 5.78 C ATOM 654 C SER A 357 17.584 25.681 25.033 1.00 5.98 C ATOM 655 O SER A 357 17.176 26.474 24.185 1.00 8.56 O ATOM 656 CB SER A 357 20.043 25.417 24.569 1.00 6.29 C ATOM 657 OG SER A 357 21.327 25.924 24.910 1.00 6.32 O ATOM 658 HG SER A 357 21.985 25.639 24.227 1.00 0.00 H ATOM 659 H SER A 357 19.826 24.319 26.914 1.00 0.00 H ATOM 660 N GLN A 358 16.842 24.672 25.488 1.00 6.23 N ATOM 661 CA GLN A 358 15.472 24.471 25.016 1.00 6.04 C ATOM 662 C GLN A 358 14.482 25.448 25.638 1.00 8.45 C ATOM 663 O GLN A 358 13.376 25.626 25.129 1.00 8.55 O ATOM 664 CB GLN A 358 14.992 23.043 25.317 1.00 7.03 C ATOM 665 CG GLN A 358 15.478 22.012 24.334 1.00 11.57 C ATOM 666 CD GLN A 358 15.004 20.617 24.686 1.00 15.03 C ATOM 667 OE1 GLN A 358 14.236 20.434 25.630 1.00 22.23 O ATOM 668 NE2 GLN A 358 15.444 19.631 23.918 1.00 13.25 N ATOM 669 HE22 GLN A 358 16.093 19.835 23.131 1.00 0.00 H ATOM 670 HE21 GLN A 358 15.141 18.653 24.102 1.00 0.00 H ATOM 671 H GLN A 358 17.243 24.017 26.190 1.00 0.00 H ATOM 672 N GLN A 359 14.858 26.074 26.745 1.00 5.00 N ATOM 673 CA GLN A 359 13.881 26.865 27.485 1.00 6.16 C ATOM 674 C GLN A 359 13.660 28.213 26.793 1.00 3.95 C ATOM 675 O GLN A 359 14.589 28.801 26.236 1.00 8.21 O ATOM 676 CB GLN A 359 14.307 27.037 28.948 1.00 5.83 C ATOM 677 CG GLN A 359 14.666 25.734 29.662 1.00 6.65 C ATOM 678 CD GLN A 359 13.580 24.688 29.579 1.00 8.14 C ATOM 679 OE1 GLN A 359 12.407 24.972 29.813 1.00 9.39 O ATOM 680 NE2 GLN A 359 13.968 23.461 29.256 1.00 7.15 N ATOM 681 HE22 GLN A 359 14.972 23.266 29.066 1.00 0.00 H ATOM 682 HE21 GLN A 359 13.268 22.694 29.193 1.00 0.00 H ATOM 683 H GLN A 359 15.839 26.002 27.082 1.00 0.00 H ATOM 684 N ARG A 360 12.418 28.679 26.799 1.00 6.21 N ATOM 685 CA ARG A 360 12.063 29.908 26.095 1.00 5.94 C ATOM 686 C ARG A 360 11.257 30.841 26.968 1.00 5.56 C ATOM 687 O ARG A 360 10.515 30.397 27.844 1.00 8.19 O ATOM 688 CB ARG A 360 11.240 29.599 24.846 1.00 10.33 C ATOM 689 CG ARG A 360 11.977 28.787 23.788 1.00 11.22 C ATOM 690 CD ARG A 360 11.044 28.375 22.656 1.00 15.29 C ATOM 691 NE ARG A 360 10.440 29.531 21.997 1.00 18.77 N ATOM 692 CZ ARG A 360 9.301 29.485 21.310 1.00 33.06 C ATOM 693 NH1 ARG A 360 8.640 28.341 21.194 1.00 39.31 N ATOM 694 NH2 ARG A 360 8.816 30.582 20.742 1.00 26.90 N ATOM 695 HE ARG A 360 10.930 30.445 22.069 1.00 0.00 H ATOM 696 HH12 ARG A 360 7.750 28.307 20.657 1.00 0.00 H ATOM 697 HH11 ARG A 360 9.012 27.478 21.640 1.00 0.00 H ATOM 698 HH22 ARG A 360 7.926 30.540 20.206 1.00 0.00 H ATOM 699 HH21 ARG A 360 9.326 31.484 20.833 1.00 0.00 H ATOM 700 H ARG A 360 11.681 28.158 27.316 1.00 0.00 H ATOM 701 N GLY A 361 11.395 32.134 26.712 1.00 5.31 N ATOM 702 CA GLY A 361 10.502 33.127 27.283 1.00 6.31 C ATOM 703 C GLY A 361 10.762 33.440 28.735 1.00 7.08 C ATOM 704 O GLY A 361 11.822 33.956 29.087 1.00 7.55 O ATOM 705 H GLY A 361 12.164 32.446 26.085 1.00 0.00 H ATOM 706 N GLU A 362 9.787 33.124 29.579 1.00 6.67 N ATOM 707 CA GLU A 362 9.901 33.364 31.012 1.00 6.31 C ATOM 708 C GLU A 362 10.371 32.088 31.682 1.00 7.61 C ATOM 709 O GLU A 362 9.636 31.112 31.757 1.00 10.36 O ATOM 710 CB GLU A 362 8.557 33.799 31.597 1.00 7.10 C ATOM 711 CG GLU A 362 8.047 35.110 31.014 1.00 7.95 C ATOM 712 CD GLU A 362 6.700 35.497 31.576 1.00 13.46 C ATOM 713 OE1 GLU A 362 5.972 34.595 32.039 1.00 14.27 O ATOM 714 OE2 GLU A 362 6.381 36.699 31.578 1.00 12.51 O ATOM 715 H GLU A 362 8.917 32.693 29.207 1.00 0.00 H ATOM 716 N ILE A 363 11.605 32.108 32.159 1.00 6.43 N ATOM 717 CA ILE A 363 12.288 30.899 32.580 1.00 5.85 C ATOM 718 C ILE A 363 12.647 30.973 34.056 1.00 5.93 C ATOM 719 O ILE A 363 13.313 31.917 34.503 1.00 7.24 O ATOM 720 CB ILE A 363 13.550 30.694 31.757 1.00 5.10 C ATOM 721 CG1 ILE A 363 13.216 30.679 30.263 1.00 6.70 C ATOM 722 CG2 ILE A 363 14.220 29.394 32.139 1.00 7.01 C ATOM 723 CD1 ILE A 363 14.439 30.764 29.373 1.00 7.61 C ATOM 724 H ILE A 363 12.101 33.019 32.235 1.00 0.00 H ATOM 725 N GLU A 364 12.206 29.974 34.815 1.00 6.99 N ATOM 726 CA GLU A 364 12.464 29.961 36.249 1.00 7.46 C ATOM 727 C GLU A 364 13.657 29.082 36.576 1.00 9.14 C ATOM 728 O GLU A 364 13.692 27.903 36.218 1.00 12.26 O ATOM 729 CB GLU A 364 11.247 29.448 37.017 1.00 12.63 C ATOM 730 CG GLU A 364 11.437 29.472 38.530 1.00 25.94 C ATOM 731 CD GLU A 364 10.194 29.045 39.290 1.00 38.80 C ATOM 732 OE1 GLU A 364 9.232 28.569 38.650 1.00 46.38 O ATOM 733 OE2 GLU A 364 10.180 29.188 40.529 1.00 46.79 O ATOM 734 H GLU A 364 11.672 29.194 34.381 1.00 0.00 H ATOM 735 N PHE A 365 14.629 29.652 37.273 1.00 6.96 N ATOM 736 CA PHE A 365 15.805 28.919 37.708 1.00 6.45 C ATOM 737 C PHE A 365 15.738 28.667 39.196 1.00 8.84 C ATOM 738 O PHE A 365 15.291 29.526 39.969 1.00 10.85 O ATOM 739 CB PHE A 365 17.070 29.735 37.421 1.00 9.74 C ATOM 740 CG PHE A 365 17.466 29.767 35.973 1.00 6.55 C ATOM 741 CD1 PHE A 365 16.833 30.608 35.078 1.00 7.00 C ATOM 742 CD2 PHE A 365 18.491 28.956 35.512 1.00 10.28 C ATOM 743 CE1 PHE A 365 17.205 30.624 33.740 1.00 7.44 C ATOM 744 CE2 PHE A 365 18.873 28.972 34.175 1.00 8.74 C ATOM 745 CZ PHE A 365 18.227 29.807 33.285 1.00 8.71 C ATOM 746 H PHE A 365 14.547 30.660 37.517 1.00 0.00 H ATOM 747 N GLU A 366 16.177 27.481 39.604 1.00 7.12 N ATOM 748 CA GLU A 366 16.443 27.220 41.008 1.00 6.61 C ATOM 749 C GLU A 366 17.960 27.104 41.142 1.00 7.64 C ATOM 750 O GLU A 366 18.577 26.244 40.506 1.00 8.02 O ATOM 751 CB GLU A 366 15.731 25.941 41.454 1.00 9.32 C ATOM 752 CG GLU A 366 15.867 25.645 42.937 1.00 17.37 C ATOM 753 CD GLU A 366 15.136 24.381 43.372 1.00 25.71 C ATOM 754 OE1 GLU A 366 14.568 23.676 42.511 1.00 24.17 O ATOM 755 OE2 GLU A 366 15.138 24.090 44.587 1.00 29.03 O ATOM 756 H GLU A 366 16.333 26.726 38.906 1.00 0.00 H ATOM 757 N VAL A 367 18.563 27.997 41.927 1.00 6.99 N ATOM 758 CA VAL A 367 20.020 28.100 41.992 1.00 8.34 C ATOM 759 C VAL A 367 20.502 28.231 43.427 1.00 9.17 C ATOM 760 O VAL A 367 19.743 28.590 44.333 1.00 9.79 O ATOM 761 CB VAL A 367 20.560 29.307 41.177 1.00 6.95 C ATOM 762 CG1 VAL A 367 20.256 29.145 39.700 1.00 8.01 C ATOM 763 CG2 VAL A 367 19.979 30.609 41.705 1.00 10.54 C ATOM 764 H VAL A 367 17.983 28.636 42.507 1.00 0.00 H ATOM 765 N VAL A 368 21.775 27.936 43.639 1.00 7.27 N ATOM 766 CA VAL A 368 22.364 28.130 44.950 1.00 9.61 C ATOM 767 C VAL A 368 23.825 28.488 44.798 1.00 8.58 C ATOM 768 O VAL A 368 24.552 27.880 44.019 1.00 9.34 O ATOM 769 CB VAL A 368 22.202 26.877 45.840 1.00 7.70 C ATOM 770 CG1 VAL A 368 22.994 25.696 45.280 1.00 8.55 C ATOM 771 CG2 VAL A 368 22.589 27.185 47.291 1.00 8.26 C ATOM 772 H VAL A 368 22.356 27.563 42.861 1.00 0.00 H ATOM 773 N TYR A 369 24.256 29.490 45.547 1.00 10.32 N ATOM 774 CA TYR A 369 25.661 29.838 45.563 1.00 11.27 C ATOM 775 C TYR A 369 26.357 29.089 46.679 1.00 15.49 C ATOM 776 O TYR A 369 25.952 29.195 47.833 1.00 18.39 O ATOM 777 CB TYR A 369 25.829 31.344 45.785 1.00 14.53 C ATOM 778 CG TYR A 369 27.269 31.778 45.731 1.00 15.41 C ATOM 779 CD1 TYR A 369 27.853 32.155 44.531 1.00 12.95 C ATOM 780 CD2 TYR A 369 28.054 31.782 46.874 1.00 19.33 C ATOM 781 CE1 TYR A 369 29.179 32.540 44.474 1.00 14.00 C ATOM 782 CE2 TYR A 369 29.375 32.161 46.825 1.00 18.90 C ATOM 783 CZ TYR A 369 29.932 32.543 45.624 1.00 17.08 C ATOM 784 OH TYR A 369 31.259 32.925 45.585 1.00 25.73 O ATOM 785 HH TYR A 369 31.504 33.168 44.657 1.00 0.00 H ATOM 786 H TYR A 369 23.582 30.030 46.127 1.00 0.00 H ATOM 787 N VAL A 370 27.409 28.349 46.337 1.00 18.58 N ATOM 788 CA VAL A 370 28.224 27.661 47.343 1.00 22.93 C ATOM 789 C VAL A 370 29.715 27.653 47.000 1.00 28.56 C ATOM 790 O VAL A 370 30.218 28.535 46.303 1.00 24.42 O ATOM 791 CB VAL A 370 27.754 26.206 47.589 1.00 37.82 C ATOM 792 CG1 VAL A 370 26.863 25.719 46.459 1.00 34.81 C ATOM 793 CG2 VAL A 370 28.952 25.286 47.773 1.00 37.33 C ATOM 794 H VAL A 370 27.659 28.257 45.332 1.00 0.00 H TER 795 VAL A 370 HETATM 796 O HOH 1 16.057 38.726 32.187 1.00 8.05 O HETATM 797 O HOH 2 23.882 37.484 30.634 1.00 5.96 O HETATM 798 O HOH 3 17.362 28.956 26.745 1.00 5.70 O HETATM 799 O HOH 4 22.195 38.370 37.113 1.00 7.16 O HETATM 800 O HOH 5 4.030 37.575 31.985 1.00 12.51 O HETATM 801 O HOH 6 22.610 30.978 47.231 1.00 11.75 O HETATM 802 O HOH 7 18.570 22.703 23.188 1.00 8.83 O HETATM 803 O HOH 8 23.427 20.955 38.775 1.00 10.85 O HETATM 804 O HOH 9 23.935 18.843 24.302 1.00 10.80 O HETATM 805 O HOH 10 22.449 36.126 23.744 1.00 12.04 O HETATM 806 O HOH 11 31.282 36.634 34.249 1.00 12.22 O HETATM 807 O HOH 12 28.314 15.694 28.751 1.00 11.26 O HETATM 808 O HOH 13 10.261 26.905 27.476 1.00 15.90 O HETATM 809 O HOH 14 28.481 37.293 38.567 1.00 13.33 O HETATM 810 O HOH 15 9.829 29.002 30.073 1.00 12.93 O HETATM 811 O HOH 16 30.032 38.256 36.356 1.00 13.92 O HETATM 812 O HOH 17 15.284 40.394 29.210 1.00 14.61 O HETATM 813 O HOH 18 23.285 40.858 37.077 1.00 11.21 O HETATM 814 O HOH 19 26.477 16.843 39.041 1.00 14.58 O HETATM 815 O HOH 20 27.006 43.891 33.408 1.00 16.87 O HETATM 816 O HOH 21 19.647 41.567 21.434 1.00 15.52 O HETATM 817 O HOH 22 19.011 35.598 43.541 1.00 17.82 O HETATM 818 O HOH 23 12.951 32.856 24.290 1.00 11.82 O HETATM 819 O HOH 24 12.916 25.582 38.344 1.00 16.05 O HETATM 820 O HOH 25 22.481 41.860 39.661 1.00 14.66 O HETATM 821 O HOH 26 26.438 40.499 36.122 1.00 12.76 O HETATM 822 O HOH 27 13.551 41.384 27.469 1.00 16.34 O HETATM 823 O HOH 28 24.718 18.009 37.217 1.00 14.83 O HETATM 824 O HOH 29 13.954 32.574 46.168 1.00 20.22 O HETATM 825 O HOH 30 7.287 31.719 28.763 1.00 18.26 O HETATM 826 O HOH 31 33.556 34.863 35.201 1.00 19.12 O HETATM 827 O HOH 32 29.480 35.626 42.306 1.00 17.00 O HETATM 828 O HOH 33 21.112 38.600 43.425 1.00 21.61 O HETATM 829 O HOH 34 20.453 40.368 23.870 1.00 17.92 O HETATM 830 O HOH 35 21.105 20.219 22.096 1.00 16.18 O HETATM 831 O HOH 36 31.496 37.376 31.666 1.00 19.60 O HETATM 832 O HOH 37 15.105 30.254 24.127 1.00 21.81 O HETATM 833 O HOH 38 10.634 40.619 27.882 1.00 18.54 O HETATM 834 O HOH 39 34.554 31.562 36.353 1.00 25.09 O HETATM 835 O HOH 40 23.141 33.367 48.286 1.00 21.71 O HETATM 836 O HOH 41 23.346 42.140 22.618 1.00 22.31 O HETATM 837 O HOH 42 35.772 24.993 34.572 1.00 22.32 O HETATM 838 O HOH 43 34.371 28.029 32.685 1.00 27.17 O HETATM 839 O HOH 44 24.900 34.280 43.901 1.00 16.43 O HETATM 840 O HOH 45 23.382 35.210 45.970 1.00 25.31 O HETATM 841 O HOH 46 26.201 38.971 38.320 1.00 18.89 O HETATM 842 O HOH 47 27.230 35.714 44.158 1.00 25.07 O HETATM 843 O HOH 48 27.766 8.290 31.091 1.00 37.76 O HETATM 844 O HOH 49 19.315 15.683 37.438 1.00 19.83 O HETATM 845 O HOH 50 13.226 16.945 36.703 1.00 22.92 O HETATM 846 O HOH 51 10.107 23.520 29.859 1.00 22.86 O HETATM 847 O HOH 52 26.122 31.403 52.874 1.00 25.06 O HETATM 848 O HOH 53 30.425 28.194 43.638 1.00 29.33 O HETATM 849 O HOH 54 15.208 27.832 22.895 1.00 22.54 O HETATM 850 O HOH 55 20.866 35.122 49.254 1.00 31.59 O HETATM 851 O HOH 56 25.100 33.175 50.004 1.00 36.72 O HETATM 852 O HOH 57 34.834 13.005 37.700 1.00 31.28 O HETATM 853 O HOH 58 13.090 20.852 28.314 1.00 27.84 O HETATM 854 O HOH 59 32.485 16.562 29.946 1.00 33.16 O HETATM 855 O HOH 60 22.655 44.159 31.987 1.00 26.55 O HETATM 856 O HOH 61 27.712 39.911 25.894 1.00 20.10 O HETATM 857 O HOH 62 26.995 29.323 51.500 1.00 21.12 O HETATM 858 O HOH 63 30.957 25.186 43.961 1.00 32.15 O HETATM 859 O HOH 64 33.173 38.019 29.797 1.00 30.29 O HETATM 860 O HOH 65 20.817 36.815 45.253 1.00 35.11 O HETATM 861 O HOH 66 9.405 33.180 23.605 1.00 31.41 O HETATM 862 O HOH 67 35.080 36.146 29.298 1.00 29.19 O HETATM 863 O HOH 68 28.283 24.427 43.913 1.00 32.32 O HETATM 864 O HOH 69 25.329 42.428 25.523 1.00 32.81 O HETATM 865 O HOH 70 15.456 35.007 46.468 1.00 34.85 O HETATM 866 O HOH 71 29.625 38.246 25.748 1.00 37.63 O HETATM 867 O HOH 72 12.504 24.034 40.625 1.00 36.01 O HETATM 868 O HOH 73 25.144 17.928 41.752 1.00 28.19 O HETATM 869 O HOH 74 5.940 32.556 33.912 1.00 30.81 O HETATM 870 O HOH 75 9.131 22.489 32.184 1.00 35.59 O HETATM 871 O HOH 76 33.085 33.665 26.812 1.00 34.99 O HETATM 872 O HOH 77 8.393 27.708 41.633 1.00 37.65 O HETATM 873 O HOH 78 12.796 24.855 22.457 1.00 28.02 O HETATM 874 O HOH 79 17.784 34.485 48.787 1.00 32.25 O HETATM 875 O HOH 80 33.098 10.588 35.295 1.00 31.84 O HETATM 876 O HOH 81 30.823 13.013 29.133 1.00 34.26 O HETATM 877 O HOH 82 16.426 35.979 44.057 1.00 45.38 O HETATM 878 O HOH 83 29.416 41.765 24.038 1.00 37.30 O HETATM 879 O HOH 84 37.720 36.290 29.679 1.00 37.86 O HETATM 880 O HOH 85 27.340 27.045 43.913 1.00 21.41 O HETATM 881 O HOH 86 14.087 18.375 29.166 1.00 29.33 O HETATM 882 O HOH 87 30.041 37.816 40.743 1.00 32.18 O HETATM 883 O HOH 88 30.289 11.239 38.775 1.00 37.28 O HETATM 884 O HOH 89 5.763 36.809 23.806 1.00 31.10 O HETATM 885 O HOH 90 9.551 26.403 37.264 1.00 39.35 O HETATM 886 O HOH 91 26.693 14.989 40.776 1.00 41.82 O HETATM 887 O HOH 92 9.134 20.710 34.659 1.00 36.01 O HETATM 888 O HOH 93 35.473 31.918 33.061 1.00 43.83 O HETATM 889 O HOH 94 13.383 25.759 46.453 1.00 35.54 O HETATM 890 O HOH 95 8.325 35.926 22.771 1.00 33.79 O HETATM 891 O HOH 96 31.975 28.635 38.670 1.00 29.90 O HETATM 892 O HOH 97 14.339 24.764 49.237 1.00 37.35 O HETATM 893 O HOH 98 35.021 18.622 25.859 1.00 25.16 O HETATM 894 O HOH 99 30.202 26.732 23.859 1.00 8.05 O HETATM 895 O HOH 100 31.516 24.294 24.640 1.00 11.79 O HETATM 896 O HOH 101 25.983 33.449 26.335 1.00 12.34 O HETATM 897 O HOH 102 31.828 27.524 21.753 1.00 18.35 O HETATM 898 O HOH 103 36.657 24.805 30.680 1.00 35.20 O HETATM 899 O HOH 104 35.675 24.027 24.856 1.00 41.64 O HETATM 900 O HOH 105 33.404 27.457 24.343 1.00 39.14 O HETATM 901 O HOH 106 33.064 30.010 20.602 1.00 38.97 O HETATM 902 O HOH 107 34.384 29.571 26.593 1.00 37.81 O HETATM 903 O HOH 108 36.608 28.340 28.286 1.00 35.67 O HETATM 904 O HOH 109 35.346 23.110 27.372 1.00 17.62 O HETATM 905 O HOH 110 36.634 21.340 26.449 1.00 37.23 O HETATM 906 N ALA A 111 43.561 29.105 33.197 1.00 0.24 N HETATM 907 CA ALA A 111 42.910 28.229 34.152 1.00 0.06 C HETATM 908 C ALA A 111 43.016 26.802 33.691 1.00 0.23 C HETATM 909 O ALA A 111 43.324 26.564 32.586 1.00 -0.39 O HETATM 910 N ALA A 111 42.699 25.854 34.555 1.00 -0.26 N HETATM 911 CA ALA A 111 42.726 24.432 34.186 1.00 0.15 C HETATM 912 C ALA A 111 41.829 23.904 33.049 1.00 0.21 C HETATM 913 O ALA A 111 42.276 23.341 32.072 1.00 -0.39 O HETATM 914 N ALA A 111 40.543 24.049 33.113 1.00 -0.26 N HETATM 915 CA ALA A 111 39.915 23.565 31.904 1.00 0.15 C HETATM 916 C ALA A 111 39.835 22.043 31.721 1.00 0.21 C HETATM 917 O ALA A 111 39.541 21.585 30.643 1.00 -0.39 O HETATM 918 N ALA A 111 40.058 21.268 32.769 1.00 -0.26 N HETATM 919 CA ALA A 111 39.673 19.876 32.793 1.00 0.13 C HETATM 920 C ALA A 111 38.159 19.757 32.675 1.00 0.20 C HETATM 921 O ALA A 111 37.716 18.825 32.070 1.00 -0.39 O HETATM 922 N ALA A 111 37.394 20.643 33.333 1.00 -0.26 N HETATM 923 CA ALA A 111 35.940 20.601 33.221 1.00 0.14 C HETATM 924 C ALA A 111 35.495 21.261 31.934 1.00 0.21 C HETATM 925 O ALA A 111 36.031 22.292 31.524 1.00 -0.39 O HETATM 926 N ALA A 111 34.489 20.664 31.316 1.00 -0.26 N HETATM 927 CA ALA A 111 33.883 21.207 30.121 1.00 0.13 C HETATM 928 CB ALA A 111 32.859 20.207 29.607 1.00 -0.01 C HETATM 929 CG ALA A 111 32.447 20.437 28.202 1.00 -0.05 C HETATM 930 CD ALA A 111 31.782 19.195 27.653 1.00 -0.03 C HETATM 931 CE ALA A 111 31.346 19.447 26.236 1.00 0.03 C HETATM 932 NZ ALA A 111 32.542 19.849 25.444 1.00 -0.29 N HETATM 933 CH ALA A 111 32.465 20.974 24.538 1.00 0.17 C HETATM 934 OH ALA A 111 33.435 21.330 23.847 1.00 -0.40 O HETATM 935 CH3 ALA A 111 31.096 21.604 24.345 1.00 0.03 C HETATM 936 H ALA A 111 30.382 21.152 25.049 1.00 0.05 H HETATM 937 H ALA A 111 30.754 21.430 23.314 1.00 0.05 H HETATM 938 H ALA A 111 31.161 22.686 24.532 1.00 0.05 H HETATM 939 H ALA A 111 33.398 19.341 25.539 1.00 0.18 H HETATM 940 H ALA A 111 30.910 18.530 25.812 1.00 0.05 H HETATM 941 H ALA A 111 30.598 20.253 26.215 1.00 0.05 H HETATM 942 H ALA A 111 32.495 18.357 27.674 1.00 0.03 H HETATM 943 H ALA A 111 30.905 18.946 28.268 1.00 0.03 H HETATM 944 H ALA A 111 31.739 21.278 28.162 1.00 0.03 H HETATM 945 H ALA A 111 33.334 20.675 27.596 1.00 0.03 H HETATM 946 H ALA A 111 33.293 19.199 29.680 1.00 0.03 H HETATM 947 H ALA A 111 31.965 20.268 30.245 1.00 0.03 H HETATM 948 C ALA A 111 33.193 22.546 30.411 1.00 0.20 C HETATM 949 O ALA A 111 32.634 22.735 31.491 1.00 -0.39 O HETATM 950 N ALA A 111 33.272 23.457 29.458 1.00 -0.26 N HETATM 951 CA ALA A 111 32.557 24.762 29.504 1.00 0.16 C HETATM 952 C ALA A 111 31.806 25.023 28.228 1.00 0.21 C HETATM 953 O ALA A 111 32.310 24.835 27.209 1.00 -0.39 O HETATM 954 N ALA A 111 30.550 25.459 28.380 1.00 -0.26 N HETATM 955 CA ALA A 111 29.716 25.815 27.276 1.00 0.15 C HETATM 956 C ALA A 111 29.101 27.215 27.466 1.00 0.21 C HETATM 957 O ALA A 111 28.704 27.569 28.517 1.00 -0.39 O HETATM 958 N ALA A 111 29.092 27.955 26.379 1.00 -0.26 N HETATM 959 CA ALA A 111 28.428 29.261 26.304 1.00 0.13 C HETATM 960 C ALA A 111 27.013 29.025 25.786 1.00 0.20 C HETATM 961 O ALA A 111 26.829 28.436 24.753 1.00 -0.39 O HETATM 962 N ALA A 111 26.022 29.463 26.546 1.00 -0.27 N HETATM 963 CA ALA A 111 24.628 29.170 26.245 1.00 0.13 C HETATM 964 C ALA A 111 23.729 30.375 26.464 1.00 0.22 C HETATM 965 O ALA A 111 24.157 31.394 27.011 1.00 -0.41 O HETATM 966 O1 ALA A 111 22.529 30.333 26.081 1.00 -0.41 O HETATM 967 CB ALA A 111 24.099 28.013 27.092 1.00 -0.01 C HETATM 968 CG1 ALA A 111 24.149 28.353 28.582 1.00 -0.05 C HETATM 969 CD1 ALA A 111 23.489 27.293 29.468 1.00 -0.06 C HETATM 970 H ALA A 111 23.561 27.600 30.522 1.00 0.02 H HETATM 971 H ALA A 111 24.002 26.329 29.331 1.00 0.02 H HETATM 972 H ALA A 111 22.430 27.188 29.188 1.00 0.02 H HETATM 973 H ALA A 111 23.631 29.311 28.739 1.00 0.03 H HETATM 974 H ALA A 111 25.203 28.452 28.882 1.00 0.03 H HETATM 975 CG2 ALA A 111 24.889 26.740 26.809 1.00 -0.06 C HETATM 976 H ALA A 111 24.842 26.511 25.734 1.00 0.02 H HETATM 977 H ALA A 111 24.457 25.906 27.381 1.00 0.02 H HETATM 978 H ALA A 111 25.938 26.885 27.108 1.00 0.02 H HETATM 979 H ALA A 111 23.049 27.837 26.815 1.00 0.03 H HETATM 980 H ALA A 111 24.568 28.881 25.185 1.00 0.08 H HETATM 981 H ALA A 111 26.238 30.013 27.353 1.00 0.19 H HETATM 982 CB ALA A 111 29.179 30.182 25.277 1.00 -0.00 C HETATM 983 CG1 ALA A 111 30.631 30.378 25.639 1.00 -0.05 C HETATM 984 CD1 ALA A 111 31.500 30.678 24.413 1.00 -0.06 C HETATM 985 H ALA A 111 32.545 30.812 24.728 1.00 0.02 H HETATM 986 H ALA A 111 31.143 31.598 23.927 1.00 0.02 H HETATM 987 H ALA A 111 31.436 29.840 23.704 1.00 0.02 H HETATM 988 H ALA A 111 31.003 29.461 26.120 1.00 0.03 H HETATM 989 H ALA A 111 30.710 31.220 26.343 1.00 0.03 H HETATM 990 CG2 ALA A 111 28.543 31.512 25.220 1.00 -0.06 C HETATM 991 H ALA A 111 27.481 31.399 24.957 1.00 0.02 H HETATM 992 H ALA A 111 29.046 32.127 24.459 1.00 0.02 H HETATM 993 H ALA A 111 28.628 32.002 26.201 1.00 0.02 H HETATM 994 H ALA A 111 29.122 29.711 24.285 1.00 0.03 H HETATM 995 H ALA A 111 28.405 29.737 27.296 1.00 0.08 H HETATM 996 H ALA A 111 29.560 27.611 25.565 1.00 0.19 H HETATM 997 CB ALA A 111 28.549 24.824 27.074 1.00 0.08 C HETATM 998 OG ALA A 111 29.016 23.514 26.810 1.00 -0.39 O HETATM 999 H ALA A 111 29.542 23.213 27.542 1.00 0.21 H HETATM 1000 H ALA A 111 27.937 25.162 26.225 1.00 0.06 H HETATM 1001 H ALA A 111 27.934 24.806 27.986 1.00 0.06 H HETATM 1002 H ALA A 111 30.338 25.818 26.369 1.00 0.08 H HETATM 1003 H ALA A 111 30.180 25.539 29.305 1.00 0.19 H HETATM 1004 CB ALA A 111 33.549 25.909 29.758 1.00 0.09 C HETATM 1005 OG1 ALA A 111 34.198 25.669 30.978 1.00 -0.39 O HETATM 1006 H ALA A 111 34.662 24.841 30.931 1.00 0.21 H HETATM 1007 CG2 ALA A 111 32.849 27.233 29.831 1.00 -0.03 C HETATM 1008 H ALA A 111 33.587 28.028 30.013 1.00 0.03 H HETATM 1009 H ALA A 111 32.118 27.216 30.652 1.00 0.03 H HETATM 1010 H ALA A 111 32.329 27.426 28.881 1.00 0.03 H HETATM 1011 H ALA A 111 34.288 25.936 28.943 1.00 0.06 H HETATM 1012 H ALA A 111 31.835 24.731 30.333 1.00 0.08 H HETATM 1013 H ALA A 111 33.844 23.259 28.662 1.00 0.19 H HETATM 1014 H ALA A 111 34.661 21.363 29.359 1.00 0.08 H HETATM 1015 H ALA A 111 34.135 19.806 31.689 1.00 0.19 H HETATM 1016 CB ALA A 111 35.253 21.335 34.365 1.00 0.00 C HETATM 1017 CG ALA A 111 35.488 20.798 35.728 1.00 -0.04 C HETATM 1018 CD1 ALA A 111 36.109 19.630 36.071 1.00 0.02 C HETATM 1019 NE1 ALA A 111 36.131 19.497 37.437 1.00 -0.29 N HETATM 1020 CE2 ALA A 111 35.521 20.589 38.001 1.00 0.06 C HETATM 1021 CD2 ALA A 111 35.102 21.426 36.949 1.00 -0.02 C HETATM 1022 CE3 ALA A 111 34.443 22.622 37.257 1.00 -0.07 C HETATM 1023 CZ3 ALA A 111 34.226 22.939 38.583 1.00 -0.08 C HETATM 1024 CH2 ALA A 111 34.654 22.086 39.610 1.00 -0.08 C HETATM 1025 CZ2 ALA A 111 35.299 20.910 39.341 1.00 -0.04 C HETATM 1026 H ALA A 111 35.625 20.252 40.139 1.00 0.05 H HETATM 1027 H ALA A 111 34.469 22.365 40.641 1.00 0.05 H HETATM 1028 H ALA A 111 33.717 23.862 38.834 1.00 0.05 H HETATM 1029 H ALA A 111 34.109 23.287 36.469 1.00 0.05 H HETATM 1030 H ALA A 111 36.539 18.706 37.955 1.00 0.22 H HETATM 1031 H ALA A 111 36.525 18.912 35.366 1.00 0.08 H HETATM 1032 H ALA A 111 34.169 21.309 34.177 1.00 0.04 H HETATM 1033 H ALA A 111 35.602 22.378 34.351 1.00 0.04 H HETATM 1034 H ALA A 111 35.620 19.549 33.224 1.00 0.08 H HETATM 1035 H ALA A 111 37.826 21.339 33.906 1.00 0.19 H HETATM 1036 CB ALA A 111 40.072 19.240 34.111 1.00 -0.01 C HETATM 1037 CG ALA A 111 41.308 18.409 34.145 1.00 -0.02 C HETATM 1038 CD ALA A 111 40.892 17.124 34.821 1.00 0.06 C HETATM 1039 NE ALA A 111 41.186 17.092 36.234 1.00 -0.27 N HETATM 1040 CZ ALA A 111 40.289 17.337 37.176 1.00 0.29 C HETATM 1041 NH1 ALA A 111 39.089 17.585 36.813 1.00 -0.28 N HETATM 1042 H ALA A 111 38.367 17.780 37.521 1.00 0.26 H HETATM 1043 H ALA A 111 38.844 17.590 35.812 1.00 0.26 H HETATM 1044 NH2 ALA A 111 40.580 17.280 38.461 1.00 -0.28 N HETATM 1045 H ALA A 111 41.545 17.081 38.762 1.00 0.26 H HETATM 1046 H ALA A 111 39.843 17.435 39.163 1.00 0.26 H HETATM 1047 H ALA A 111 42.148 16.866 36.526 1.00 0.26 H HETATM 1048 H ALA A 111 41.421 16.290 34.337 1.00 0.07 H HETATM 1049 H ALA A 111 39.807 16.997 34.689 1.00 0.07 H HETATM 1050 H ALA A 111 42.097 18.912 34.722 1.00 0.03 H HETATM 1051 H ALA A 111 41.669 18.211 33.125 1.00 0.03 H HETATM 1052 H ALA A 111 39.238 18.597 34.429 1.00 0.03 H HETATM 1053 H ALA A 111 40.206 20.054 34.839 1.00 0.03 H HETATM 1054 H ALA A 111 40.159 19.348 31.959 1.00 0.08 H HETATM 1055 H ALA A 111 40.508 21.659 33.572 1.00 0.19 H HETATM 1056 CB ALA A 111 40.608 24.225 30.680 1.00 0.08 C HETATM 1057 OG ALA A 111 41.443 23.346 29.889 1.00 -0.39 O HETATM 1058 H ALA A 111 42.137 22.995 30.434 1.00 0.21 H HETATM 1059 H ALA A 111 41.237 25.048 31.050 1.00 0.06 H HETATM 1060 H ALA A 111 39.824 24.629 30.023 1.00 0.06 H HETATM 1061 H ALA A 111 38.875 23.922 31.931 1.00 0.08 H HETATM 1062 H ALA A 111 40.053 24.442 33.891 1.00 0.19 H HETATM 1063 CB ALA A 111 42.638 23.589 35.463 1.00 0.08 C HETATM 1064 CG ALA A 111 41.880 22.319 35.286 1.00 0.18 C HETATM 1065 OD1 ALA A 111 40.832 22.298 34.670 1.00 -0.40 O HETATM 1066 ND2 ALA A 111 42.385 21.274 35.856 1.00 -0.30 N HETATM 1067 H ALA A 111 41.925 20.390 35.776 1.00 0.18 H HETATM 1068 H ALA A 111 43.235 21.350 36.377 1.00 0.18 H HETATM 1069 H ALA A 111 42.140 24.186 36.241 1.00 0.06 H HETATM 1070 H ALA A 111 43.659 23.342 35.788 1.00 0.06 H HETATM 1071 H ALA A 111 43.743 24.275 33.799 1.00 0.08 H HETATM 1072 H ALA A 111 42.434 26.111 35.484 1.00 0.19 H HETATM 1073 CB ALA A 111 41.472 28.586 34.258 1.00 -0.00 C HETATM 1074 H ALA A 111 40.981 27.920 34.983 1.00 0.03 H HETATM 1075 H ALA A 111 40.993 28.474 33.274 1.00 0.03 H HETATM 1076 H ALA A 111 41.377 29.629 34.595 1.00 0.03 H HETATM 1077 H ALA A 111 43.392 28.337 35.135 1.00 0.11 H HETATM 1078 H ALA A 111 43.486 30.060 33.512 1.00 0.20 H HETATM 1079 H ALA A 111 43.115 29.012 32.298 1.00 0.20 H HETATM 1080 H ALA A 111 44.534 28.852 33.118 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 906 907 1078 1079 1080 CONECT 907 906 908 1073 1077 CONECT 908 907 909 910 CONECT 909 908 CONECT 910 908 911 1072 CONECT 911 910 912 1063 1071 CONECT 912 911 913 914 CONECT 913 912 CONECT 914 912 915 1062 CONECT 915 914 916 1056 1061 CONECT 916 915 917 918 CONECT 917 916 CONECT 918 916 919 1055 CONECT 919 918 920 1036 1054 CONECT 920 919 921 922 CONECT 921 920 CONECT 922 920 923 1035 CONECT 923 922 924 1016 1034 CONECT 924 923 925 926 CONECT 925 924 CONECT 926 924 927 1015 CONECT 927 926 928 948 1014 CONECT 928 927 929 946 947 CONECT 929 928 930 944 945 CONECT 930 929 931 942 943 CONECT 931 930 932 940 941 CONECT 932 931 933 939 CONECT 933 932 934 935 CONECT 934 933 CONECT 935 933 936 937 938 CONECT 936 935 CONECT 937 935 CONECT 938 935 CONECT 939 932 CONECT 940 931 CONECT 941 931 CONECT 942 930 CONECT 943 930 CONECT 944 929 CONECT 945 929 CONECT 946 928 CONECT 947 928 CONECT 948 927 949 950 CONECT 949 948 CONECT 950 948 951 1013 CONECT 951 950 952 1004 1012 CONECT 952 951 953 954 CONECT 953 952 CONECT 954 952 955 1003 CONECT 955 954 956 997 1002 CONECT 956 955 957 958 CONECT 957 956 CONECT 958 956 959 996 CONECT 959 958 960 982 995 CONECT 960 959 961 962 CONECT 961 960 CONECT 962 960 963 981 CONECT 963 962 964 967 980 CONECT 964 963 965 966 CONECT 965 964 CONECT 966 964 CONECT 967 963 968 975 979 CONECT 968 967 969 973 974 CONECT 969 968 970 971 972 CONECT 970 969 CONECT 971 969 CONECT 972 969 CONECT 973 968 CONECT 974 968 CONECT 975 967 976 977 978 CONECT 976 975 CONECT 977 975 CONECT 978 975 CONECT 979 967 CONECT 980 963 CONECT 981 962 CONECT 982 959 983 990 994 CONECT 983 982 984 988 989 CONECT 984 983 985 986 987 CONECT 985 984 CONECT 986 984 CONECT 987 984 CONECT 988 983 CONECT 989 983 CONECT 990 982 991 992 993 CONECT 991 990 CONECT 992 990 CONECT 993 990 CONECT 994 982 CONECT 995 959 CONECT 996 958 CONECT 997 955 998 1000 1001 CONECT 998 997 999 CONECT 999 998 CONECT 1000 997 CONECT 1001 997 CONECT 1002 955 CONECT 1003 954 CONECT 1004 951 1005 1007 1011 CONECT 1005 1004 1006 CONECT 1006 1005 CONECT 1007 1004 1008 1009 1010 CONECT 1008 1007 CONECT 1009 1007 CONECT 1010 1007 CONECT 1011 1004 CONECT 1012 951 CONECT 1013 950 CONECT 1014 927 CONECT 1015 926 CONECT 1016 923 1017 1032 1033 CONECT 1017 1016 1018 1021 CONECT 1018 1017 1019 1031 CONECT 1019 1018 1020 1030 CONECT 1020 1019 1021 1025 CONECT 1021 1017 1020 1022 CONECT 1022 1021 1023 1029 CONECT 1023 1022 1024 1028 CONECT 1024 1023 1025 1027 CONECT 1025 1020 1024 1026 CONECT 1026 1025 CONECT 1027 1024 CONECT 1028 1023 CONECT 1029 1022 CONECT 1030 1019 CONECT 1031 1018 CONECT 1032 1016 CONECT 1033 1016 CONECT 1034 923 CONECT 1035 922 CONECT 1036 919 1037 1052 1053 CONECT 1037 1036 1038 1050 1051 CONECT 1038 1037 1039 1048 1049 CONECT 1039 1038 1040 1047 CONECT 1040 1039 1041 1044 CONECT 1041 1040 1042 1043 CONECT 1042 1041 CONECT 1043 1041 CONECT 1044 1040 1045 1046 CONECT 1045 1044 CONECT 1046 1044 CONECT 1047 1039 CONECT 1048 1038 CONECT 1049 1038 CONECT 1050 1037 CONECT 1051 1037 CONECT 1052 1036 CONECT 1053 1036 CONECT 1054 919 CONECT 1055 918 CONECT 1056 915 1057 1059 1060 CONECT 1057 1056 1058 CONECT 1058 1057 CONECT 1059 1056 CONECT 1060 1056 CONECT 1061 915 CONECT 1062 914 CONECT 1063 911 1064 1069 1070 CONECT 1064 1063 1065 1066 CONECT 1065 1064 CONECT 1066 1064 1067 1068 CONECT 1067 1066 CONECT 1068 1066 CONECT 1069 1063 CONECT 1070 1063 CONECT 1071 911 CONECT 1072 910 CONECT 1073 907 1074 1075 1076 CONECT 1074 1073 CONECT 1075 1073 CONECT 1076 1073 CONECT 1077 907 CONECT 1078 906 CONECT 1079 906 CONECT 1080 906 MASTER 0 0 0 0 0 0 0 0 1079 1 179 7 END
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Related entries of code: 4nmq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4e34
RCSB PDB
PDBbind
87aa, >4E34_1|Chains... *
4e35
RCSB PDB
PDBbind
87aa, >4E35_1|Chains... at 100%
4joe
RCSB PDB
PDBbind
87aa, >4JOE_1|Chains... at 100%
4jof
RCSB PDB
PDBbind
87aa, >4JOF_1|Chains... at 100%
4jog
RCSB PDB
PDBbind
87aa, >4JOG_1|Chains... at 100%
4joh
RCSB PDB
PDBbind
87aa, >4JOH_1|Chains... at 100%
4joj
RCSB PDB
PDBbind
87aa, >4JOJ_1|Chains... at 100%
4jok
RCSB PDB
PDBbind
87aa, >4JOK_1|Chains... at 100%
4k6y
RCSB PDB
PDBbind
87aa, >4K6Y_1|Chains... at 100%
4k72
RCSB PDB
PDBbind
87aa, >4K72_1|Chains... at 100%
4k75
RCSB PDB
PDBbind
87aa, >4K75_1|Chain... at 100%
4k76
RCSB PDB
PDBbind
87aa, >4K76_1|Chains... at 100%
4k78
RCSB PDB
PDBbind
87aa, >4K78_1|Chain... at 98%
4nmo
RCSB PDB
PDBbind
87aa, >4NMO_1|Chains... at 100%
4nmp
RCSB PDB
PDBbind
87aa, >4NMP_1|Chains... at 100%
4nmr
RCSB PDB
PDBbind
87aa, >4NMR_1|Chains... at 100%
4nms
RCSB PDB
PDBbind
87aa, >4NMS_1|Chains... at 100%
4nmt
RCSB PDB
PDBbind
87aa, >4NMT_1|Chains... at 100%
4nmv
RCSB PDB
PDBbind
87aa, >4NMV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4nmq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Golgi-associated PDZ and coiled-coil motif-containing protein CAL PDZ (CALP) domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=32.3uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Plos One Vol. 9. e103650: pp.1-9
Ligand Properties
Formula
C
5
4
H
9
0
N
1
6
O
1
6
Molecular Weight
1219.390
Exact Mass
1218.670
No. of atoms
176
No. of bonds
177
Polar Surface Area
541.52
LOGP Value
-3.35 (
Computed with XLOGP3
)
-2.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 51
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CC(=O)N)CO)CCC[NH+]=C(N)N)CCCCNC(=O)C)CO)C
InChI String
InChI=1S/C54H88N16O16/c1-8-26(3)41(51(83)69-42(53(85)86)27(4)9-2)68-50(82)39(25-72)67-52(84)43(29(6)73)70-46(78)34(17-12-13-19-59-30(7)74)62-47(79)36(21-31-23-61-33-16-11-10-15-32(31)33)65-45(77)35(18-14-20-60-54(57)58)63-49(81)38(24-71)66-48(80)37(22-40(56)75)64-44(76)28(5)55/h10-11,15-16,23,26-29,34-39,41-43,61,71-73H,8-9,12-14,17-22,24-25,55H2,1-7H3,(H2,56,75)(H,59,74)(H,62,79)(H,63,81)(H,64,76)(H,65,77)(H,66,80)(H,67,84)(H,68,82)(H,69,83)(H,70,78)(H,85,86)(H4,57,58,60)/p+2/t26-,27-,28-,29+,34-,35-,36-,37-,38-,39-,41-,42-,43-/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):
Q9HD26
Entrez Gene ID
NCBI Entrez Gene ID:
57120
ASD
Information of known allosteric effects of PDB entries
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