Browse entries in the PDBbind-CN Database
HEADER 4WH9_COMPLEX COMPND 4WH9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 177 HIS ARG GLU LEU ILE GLY ASP TYR SER LYS ALA PHE LEU SEQRES 2 A 177 LEU GLN THR VAL ASP GLY LYS HIS GLN ASP LEU LYS TYR SEQRES 3 A 177 ILE SER PRO GLU THR MET VAL ALA LEU LEU THR GLY LYS SEQRES 4 A 177 PHE SER ASN ILE VAL ASP LYS PHE VAL ILE VAL ASP CYS SEQRES 5 A 177 ARG TYR PRO TYR GLU TYR GLU GLY GLY HIS ILE LYS THR SEQRES 6 A 177 ALA VAL ASN LEU PRO LEU GLU ARG ASP ALA GLU SER PHE SEQRES 7 A 177 LEU LEU LYS SER PRO ILE ALA PRO CYS SER LEU ASP LYS SEQRES 8 A 177 ARG VAL ILE LEU ILE PHE HIS SER GLU PHE SER SER GLU SEQRES 9 A 177 ARG GLY PRO ARG MET CYS ARG PHE ILE ARG GLU ARG ASP SEQRES 10 A 177 ARG ALA VAL ASN ASP TYR PRO SER LEU TYR TYR PRO GLU SEQRES 11 A 177 MET TYR ILE LEU LYS GLY GLY TYR LYS GLU PHE PHE PRO SEQRES 12 A 177 GLN HIS PRO ASN PHE CYS GLU PRO GLN ASP TYR ARG PRO SEQRES 13 A 177 MET ASN HIS GLU ALA PHE LYS ASP GLU LEU LYS THR PHE SEQRES 14 A 177 ARG LEU LYS THR ARG SER TRP ALA HET UNN A 474 24 ATOM 1 N HIS A 375 19.749 -23.549 2.823 1.00 51.96 N ATOM 2 CA HIS A 375 21.146 -23.222 2.487 1.00 29.00 C ATOM 3 C HIS A 375 21.313 -22.010 1.554 1.00 24.18 C ATOM 4 O HIS A 375 22.349 -21.879 0.938 1.00 18.71 O ATOM 5 CB HIS A 375 21.898 -24.457 1.986 1.00 22.48 C ATOM 6 CG HIS A 375 21.661 -25.673 2.828 1.00 32.94 C ATOM 7 ND1 HIS A 375 21.493 -25.609 4.199 1.00 36.32 N ATOM 8 CD2 HIS A 375 21.519 -26.978 2.491 1.00 32.90 C ATOM 9 CE1 HIS A 375 21.307 -26.827 4.673 1.00 49.97 C ATOM 10 NE2 HIS A 375 21.305 -27.672 3.657 1.00 51.20 N ATOM 11 HN3 HIS A 375 19.225 -23.765 1.951 1.00 0.00 H ATOM 12 HN2 HIS A 375 19.309 -22.737 3.301 1.00 0.00 H ATOM 13 HN1 HIS A 375 19.730 -24.376 3.454 1.00 0.00 H ATOM 14 N ARG A 376 20.499 -21.007 1.793 1.00 29.29 N ATOM 15 CA ARG A 376 20.711 -19.789 1.054 1.00 26.25 C ATOM 16 C ARG A 376 20.710 -18.654 2.055 1.00 20.46 C ATOM 17 O ARG A 376 20.508 -18.776 3.287 1.00 21.72 O ATOM 18 CB ARG A 376 19.632 -19.533 -0.011 1.00 33.68 C ATOM 19 CG ARG A 376 19.144 -20.704 -0.851 1.00 47.18 C ATOM 20 CD ARG A 376 17.666 -20.510 -1.207 1.00 38.44 C ATOM 21 NE ARG A 376 16.799 -20.905 -0.103 1.00 28.51 N ATOM 22 CZ ARG A 376 15.552 -21.361 -0.229 1.00 29.86 C ATOM 23 NH1 ARG A 376 14.954 -21.396 -1.413 1.00 15.17 N ATOM 24 NH2 ARG A 376 14.895 -21.778 0.857 1.00 22.37 N ATOM 25 HE ARG A 376 17.184 -20.825 0.860 1.00 0.00 H ATOM 26 HH12 ARG A 376 13.981 -21.755 -1.494 1.00 0.00 H ATOM 27 HH11 ARG A 376 15.458 -21.065 -2.260 1.00 0.00 H ATOM 28 HH22 ARG A 376 13.922 -22.136 0.771 1.00 0.00 H ATOM 29 HH21 ARG A 376 15.356 -21.745 1.788 1.00 0.00 H ATOM 30 H ARG A 376 19.731 -21.089 2.489 1.00 0.00 H ATOM 31 N GLU A 377 20.811 -17.485 1.480 1.00 20.06 N ATOM 32 CA GLU A 377 20.684 -16.321 2.340 1.00 18.07 C ATOM 33 C GLU A 377 19.252 -16.057 2.815 1.00 15.17 C ATOM 34 O GLU A 377 18.302 -16.666 2.300 1.00 17.03 O ATOM 35 CB GLU A 377 21.239 -15.102 1.609 1.00 17.38 C ATOM 36 CG GLU A 377 20.364 -14.644 0.459 1.00 15.72 C ATOM 37 CD GLU A 377 20.661 -15.327 -0.871 1.00 18.15 C ATOM 38 OE1 GLU A 377 20.211 -14.679 -1.862 1.00 20.62 O ATOM 39 OE2 GLU A 377 21.312 -16.433 -0.928 1.00 20.06 O ATOM 40 H GLU A 377 20.974 -17.392 0.457 1.00 0.00 H ATOM 41 N LEU A 378 19.106 -15.150 3.800 1.00 13.82 N ATOM 42 CA LEU A 378 17.796 -14.830 4.370 1.00 14.05 C ATOM 43 C LEU A 378 16.969 -14.014 3.360 1.00 11.16 C ATOM 44 O LEU A 378 17.521 -13.389 2.467 1.00 12.99 O ATOM 45 CB LEU A 378 17.981 -14.096 5.686 1.00 12.32 C ATOM 46 CG LEU A 378 18.707 -14.883 6.760 1.00 13.78 C ATOM 47 CD1 LEU A 378 19.183 -13.935 7.841 1.00 14.29 C ATOM 48 CD2 LEU A 378 17.839 -15.950 7.370 1.00 16.22 C ATOM 49 H LEU A 378 19.949 -14.663 4.166 1.00 0.00 H ATOM 50 N ILE A 379 15.668 -13.895 3.624 1.00 11.14 N ATOM 51 CA ILE A 379 14.814 -12.939 2.884 1.00 11.79 C ATOM 52 C ILE A 379 15.243 -11.505 3.172 1.00 10.83 C ATOM 53 O ILE A 379 16.125 -11.263 3.997 1.00 10.91 O ATOM 54 CB ILE A 379 13.319 -13.165 3.114 1.00 11.24 C ATOM 55 CG1 ILE A 379 12.892 -12.813 4.531 1.00 11.39 C ATOM 56 CG2 ILE A 379 12.915 -14.595 2.742 1.00 12.39 C ATOM 57 CD1 ILE A 379 11.413 -12.911 4.780 1.00 13.25 C ATOM 58 H ILE A 379 15.244 -14.487 4.366 1.00 0.00 H ATOM 59 N GLY A 380 14.643 -10.542 2.462 1.00 11.01 N ATOM 60 CA GLY A 380 15.274 -9.239 2.355 1.00 11.04 C ATOM 61 C GLY A 380 15.299 -8.381 3.610 1.00 10.45 C ATOM 62 O GLY A 380 16.037 -7.393 3.653 1.00 11.46 O ATOM 63 H GLY A 380 13.734 -10.725 1.992 1.00 0.00 H ATOM 64 N ASP A 381 14.443 -8.685 4.590 1.00 10.98 N ATOM 65 CA ASP A 381 14.523 -8.016 5.889 1.00 11.35 C ATOM 66 C ASP A 381 15.304 -8.883 6.915 1.00 11.95 C ATOM 67 O ASP A 381 15.338 -8.563 8.112 1.00 14.00 O ATOM 68 CB ASP A 381 13.140 -7.643 6.453 1.00 11.43 C ATOM 69 CG ASP A 381 12.289 -8.849 6.804 1.00 11.50 C ATOM 70 OD1 ASP A 381 12.722 -9.982 6.537 1.00 13.20 O ATOM 71 OD2 ASP A 381 11.169 -8.617 7.308 1.00 15.22 O ATOM 72 H ASP A 381 13.711 -9.406 4.428 1.00 0.00 H ATOM 73 N TYR A 382 15.937 -9.956 6.435 1.00 10.78 N ATOM 74 CA TYR A 382 16.829 -10.787 7.248 1.00 12.43 C ATOM 75 C TYR A 382 16.133 -11.414 8.453 1.00 13.52 C ATOM 76 O TYR A 382 16.772 -11.718 9.451 1.00 15.46 O ATOM 77 CB TYR A 382 18.131 -10.047 7.562 1.00 13.50 C ATOM 78 CG TYR A 382 18.614 -9.300 6.351 1.00 12.39 C ATOM 79 CD1 TYR A 382 18.748 -9.993 5.147 1.00 12.42 C ATOM 80 CD2 TYR A 382 18.865 -7.914 6.365 1.00 13.57 C ATOM 81 CE1 TYR A 382 19.031 -9.330 3.973 1.00 15.12 C ATOM 82 CE2 TYR A 382 19.213 -7.261 5.193 1.00 14.84 C ATOM 83 CZ TYR A 382 19.311 -7.980 4.005 1.00 14.55 C ATOM 84 OH TYR A 382 19.545 -7.342 2.805 1.00 18.52 O ATOM 85 HH TYR A 382 20.407 -6.857 2.853 1.00 0.00 H ATOM 86 H TYR A 382 15.790 -10.214 5.438 1.00 0.00 H ATOM 87 N SER A 383 14.830 -11.641 8.312 1.00 13.98 N ATOM 88 CA SER A 383 14.044 -12.188 9.391 1.00 15.10 C ATOM 89 C SER A 383 14.024 -13.714 9.450 1.00 15.69 C ATOM 90 O SER A 383 13.889 -14.290 10.517 1.00 20.81 O ATOM 91 CB SER A 383 12.635 -11.610 9.340 1.00 16.74 C ATOM 92 OG SER A 383 12.002 -11.988 8.137 1.00 15.44 O ATOM 93 HG SER A 383 12.524 -11.645 7.369 1.00 0.00 H ATOM 94 H SER A 383 14.369 -11.420 7.406 1.00 0.00 H ATOM 95 N LYS A 384 14.093 -14.348 8.293 1.00 15.16 N ATOM 96 CA LYS A 384 13.921 -15.770 8.171 1.00 16.84 C ATOM 97 C LYS A 384 14.329 -16.200 6.780 1.00 13.55 C ATOM 98 O LYS A 384 14.629 -15.375 5.919 1.00 13.37 O ATOM 99 CB LYS A 384 12.460 -16.147 8.412 1.00 19.10 C ATOM 100 CG LYS A 384 11.518 -15.475 7.436 1.00 18.41 C ATOM 101 CD LYS A 384 10.057 -15.546 7.881 1.00 26.58 C ATOM 102 CE LYS A 384 9.811 -14.796 9.168 1.00 42.12 C ATOM 103 NZ LYS A 384 9.469 -13.452 8.673 1.00 38.03 N ATOM 104 HZ1 LYS A 384 10.267 -13.073 8.124 1.00 0.00 H ATOM 105 HZ2 LYS A 384 8.626 -13.511 8.066 1.00 0.00 H ATOM 106 HZ3 LYS A 384 9.273 -12.826 9.480 1.00 0.00 H ATOM 107 H LYS A 384 14.280 -13.794 7.433 1.00 0.00 H ATOM 108 N ALA A 385 14.422 -17.510 6.596 1.00 17.03 N ATOM 109 CA ALA A 385 14.791 -18.107 5.322 1.00 14.31 C ATOM 110 C ALA A 385 13.658 -17.987 4.308 1.00 13.06 C ATOM 111 O ALA A 385 12.474 -17.891 4.661 1.00 14.74 O ATOM 112 CB ALA A 385 15.126 -19.572 5.549 1.00 16.33 C ATOM 113 H ALA A 385 14.222 -18.139 7.399 1.00 0.00 H ATOM 114 N PHE A 386 14.004 -18.027 3.047 1.00 12.88 N ATOM 115 CA PHE A 386 12.999 -18.208 2.003 1.00 13.76 C ATOM 116 C PHE A 386 12.179 -19.472 2.247 1.00 11.56 C ATOM 117 O PHE A 386 12.765 -20.535 2.535 1.00 15.57 O ATOM 118 CB PHE A 386 13.665 -18.265 0.640 1.00 12.54 C ATOM 119 CG PHE A 386 14.117 -16.902 0.102 1.00 11.61 C ATOM 120 CD1 PHE A 386 15.378 -16.396 0.409 1.00 13.70 C ATOM 121 CD2 PHE A 386 13.282 -16.122 -0.684 1.00 11.74 C ATOM 122 CE1 PHE A 386 15.783 -15.153 -0.055 1.00 12.88 C ATOM 123 CE2 PHE A 386 13.685 -14.851 -1.132 1.00 13.33 C ATOM 124 CZ PHE A 386 14.931 -14.372 -0.811 1.00 13.65 C ATOM 125 H PHE A 386 15.006 -17.929 2.785 1.00 0.00 H ATOM 126 N LEU A 387 10.873 -19.398 2.054 1.00 13.67 N ATOM 127 CA LEU A 387 10.019 -20.542 2.309 1.00 13.94 C ATOM 128 C LEU A 387 10.096 -21.601 1.169 1.00 14.50 C ATOM 129 O LEU A 387 10.038 -22.817 1.402 1.00 16.63 O ATOM 130 CB LEU A 387 8.572 -20.101 2.484 1.00 13.78 C ATOM 131 CG LEU A 387 7.603 -21.189 2.960 1.00 18.09 C ATOM 132 CD1 LEU A 387 7.957 -21.661 4.354 1.00 22.69 C ATOM 133 CD2 LEU A 387 6.177 -20.657 2.884 1.00 18.72 C ATOM 134 H LEU A 387 10.453 -18.509 1.715 1.00 0.00 H ATOM 135 N LEU A 388 10.122 -21.069 -0.067 1.00 14.52 N ATOM 136 CA LEU A 388 9.853 -21.952 -1.220 1.00 14.63 C ATOM 137 C LEU A 388 11.154 -22.493 -1.782 1.00 14.69 C ATOM 138 O LEU A 388 12.191 -21.820 -1.781 1.00 16.31 O ATOM 139 CB LEU A 388 9.103 -21.152 -2.272 1.00 13.40 C ATOM 140 CG LEU A 388 7.806 -20.488 -1.848 1.00 14.77 C ATOM 141 CD1 LEU A 388 7.167 -19.764 -3.032 1.00 15.42 C ATOM 142 CD2 LEU A 388 6.825 -21.456 -1.224 1.00 16.06 C ATOM 143 H LEU A 388 10.327 -20.059 -0.207 1.00 0.00 H ATOM 144 N GLN A 389 11.060 -23.708 -2.329 1.00 16.50 N ATOM 145 CA GLN A 389 12.193 -24.280 -3.048 1.00 18.43 C ATOM 146 C GLN A 389 12.362 -23.470 -4.331 1.00 15.25 C ATOM 147 O GLN A 389 11.382 -23.055 -4.933 1.00 16.59 O ATOM 148 CB GLN A 389 11.869 -25.717 -3.439 1.00 23.39 C ATOM 149 CG GLN A 389 11.831 -26.712 -2.297 1.00 41.42 C ATOM 150 CD GLN A 389 11.726 -28.133 -2.852 1.00 79.75 C ATOM 151 OE1 GLN A 389 10.890 -28.927 -2.417 1.00 92.61 O ATOM 152 NE2 GLN A 389 12.510 -28.407 -3.893 1.00102.11 N ATOM 153 HE22 GLN A 389 13.201 -27.703 -4.223 1.00 0.00 H ATOM 154 HE21 GLN A 389 12.431 -29.325 -4.376 1.00 0.00 H ATOM 155 H GLN A 389 10.176 -24.248 -2.242 1.00 0.00 H ATOM 156 N THR A 390 13.612 -23.241 -4.727 1.00 15.83 N ATOM 157 CA THR A 390 13.914 -22.403 -5.880 1.00 17.12 C ATOM 158 C THR A 390 14.702 -23.210 -6.918 1.00 23.93 C ATOM 159 O THR A 390 15.215 -24.292 -6.625 1.00 28.64 O ATOM 160 CB THR A 390 14.715 -21.161 -5.511 1.00 21.39 C ATOM 161 OG1 THR A 390 15.876 -21.533 -4.781 1.00 29.26 O ATOM 162 CG2 THR A 390 13.823 -20.263 -4.653 1.00 19.26 C ATOM 163 HG1 THR A 390 16.437 -22.130 -5.337 1.00 0.00 H ATOM 164 H THR A 390 14.396 -23.673 -4.198 1.00 0.00 H ATOM 165 N VAL A 391 14.589 -22.714 -8.153 1.00 17.96 N ATOM 166 CA VAL A 391 15.312 -23.247 -9.297 1.00 18.56 C ATOM 167 C VAL A 391 16.240 -22.160 -9.881 1.00 19.49 C ATOM 168 O VAL A 391 16.049 -20.949 -9.648 1.00 19.14 O ATOM 169 CB VAL A 391 14.308 -23.731 -10.375 1.00 18.64 C ATOM 170 CG1 VAL A 391 13.442 -24.882 -9.881 1.00 26.09 C ATOM 171 CG2 VAL A 391 13.453 -22.596 -10.897 1.00 19.29 C ATOM 172 H VAL A 391 13.952 -21.906 -8.304 1.00 0.00 H ATOM 173 N ASP A 392 17.226 -22.572 -10.666 1.00 20.45 N ATOM 174 CA ASP A 392 18.145 -21.609 -11.230 1.00 21.01 C ATOM 175 C ASP A 392 17.461 -20.753 -12.286 1.00 18.74 C ATOM 176 O ASP A 392 16.610 -21.220 -13.006 1.00 21.11 O ATOM 177 CB ASP A 392 19.333 -22.288 -11.888 1.00 23.50 C ATOM 178 CG ASP A 392 20.470 -21.319 -12.213 1.00 33.64 C ATOM 179 OD1 ASP A 392 20.798 -20.479 -11.335 1.00 64.43 O ATOM 180 OD2 ASP A 392 21.093 -21.454 -13.295 1.00 40.45 O ATOM 181 H ASP A 392 17.338 -23.585 -10.875 1.00 0.00 H ATOM 182 N GLY A 393 17.813 -19.477 -12.337 1.00 16.04 N ATOM 183 CA GLY A 393 17.343 -18.600 -13.379 1.00 17.29 C ATOM 184 C GLY A 393 18.434 -17.599 -13.740 1.00 17.12 C ATOM 185 O GLY A 393 19.425 -17.440 -13.016 1.00 19.94 O ATOM 186 H GLY A 393 18.446 -19.098 -11.604 1.00 0.00 H ATOM 187 N LYS A 394 18.278 -16.905 -14.861 1.00 17.02 N ATOM 188 CA LYS A 394 19.426 -16.158 -15.360 1.00 19.98 C ATOM 189 C LYS A 394 19.798 -14.921 -14.564 1.00 18.27 C ATOM 190 O LYS A 394 20.973 -14.567 -14.551 1.00 20.95 O ATOM 191 CB LYS A 394 19.362 -15.879 -16.844 1.00 28.64 C ATOM 192 CG LYS A 394 18.360 -14.857 -17.169 1.00 29.06 C ATOM 193 CD LYS A 394 18.483 -14.369 -18.596 1.00 29.76 C ATOM 194 CE LYS A 394 17.524 -13.185 -18.646 1.00 28.81 C ATOM 195 NZ LYS A 394 17.192 -12.792 -20.036 1.00 45.82 N ATOM 196 HZ1 LYS A 394 18.063 -12.524 -20.537 1.00 0.00 H ATOM 197 HZ2 LYS A 394 16.743 -13.593 -20.524 1.00 0.00 H ATOM 198 HZ3 LYS A 394 16.538 -11.984 -20.020 1.00 0.00 H ATOM 199 H LYS A 394 17.369 -16.895 -15.365 1.00 0.00 H ATOM 200 N HIS A 395 18.840 -14.321 -13.862 1.00 17.13 N ATOM 201 CA HIS A 395 19.147 -13.247 -12.947 1.00 15.54 C ATOM 202 C HIS A 395 19.586 -13.937 -11.672 1.00 16.27 C ATOM 203 O HIS A 395 18.761 -14.375 -10.873 1.00 17.65 O ATOM 204 CB HIS A 395 17.959 -12.314 -12.733 1.00 18.59 C ATOM 205 CG HIS A 395 17.559 -11.547 -13.963 1.00 19.37 C ATOM 206 ND1 HIS A 395 18.049 -10.293 -14.235 1.00 34.24 N ATOM 207 CD2 HIS A 395 16.748 -11.861 -15.004 1.00 19.49 C ATOM 208 CE1 HIS A 395 17.575 -9.872 -15.393 1.00 37.57 C ATOM 209 NE2 HIS A 395 16.801 -10.819 -15.891 1.00 26.26 N ATOM 210 H HIS A 395 17.854 -14.631 -13.974 1.00 0.00 H ATOM 211 N GLN A 396 20.895 -13.986 -11.443 1.00 18.73 N ATOM 212 CA GLN A 396 21.472 -14.921 -10.456 1.00 20.36 C ATOM 213 C GLN A 396 21.275 -14.523 -8.991 1.00 21.55 C ATOM 214 O GLN A 396 21.357 -15.358 -8.071 1.00 25.79 O ATOM 215 CB GLN A 396 22.956 -15.141 -10.741 1.00 22.53 C ATOM 216 CG GLN A 396 23.213 -15.687 -12.143 1.00 26.62 C ATOM 217 CD GLN A 396 23.175 -17.199 -12.271 1.00 49.84 C ATOM 218 OE1 GLN A 396 22.111 -17.836 -12.304 1.00 70.88 O ATOM 219 NE2 GLN A 396 24.343 -17.761 -12.499 1.00 58.64 N ATOM 220 HE22 GLN A 396 25.211 -17.190 -12.461 1.00 0.00 H ATOM 221 HE21 GLN A 396 24.398 -18.776 -12.717 1.00 0.00 H ATOM 222 H GLN A 396 21.527 -13.351 -11.971 1.00 0.00 H ATOM 223 N ASP A 397 20.918 -13.266 -8.807 1.00 23.99 N ATOM 224 CA ASP A 397 20.562 -12.734 -7.496 1.00 20.25 C ATOM 225 C ASP A 397 19.086 -12.668 -7.179 1.00 18.11 C ATOM 226 O ASP A 397 18.721 -12.191 -6.092 1.00 21.19 O ATOM 227 CB ASP A 397 21.101 -11.314 -7.384 1.00 20.55 C ATOM 228 CG ASP A 397 20.551 -10.365 -8.468 1.00 22.14 C ATOM 229 OD1 ASP A 397 20.076 -10.819 -9.543 1.00 26.41 O ATOM 230 OD2 ASP A 397 20.808 -9.140 -8.277 1.00 29.94 O ATOM 231 H ASP A 397 20.889 -12.629 -9.629 1.00 0.00 H ATOM 232 N LEU A 398 18.241 -13.122 -8.106 1.00 14.96 N ATOM 233 CA LEU A 398 16.822 -13.264 -7.826 1.00 14.36 C ATOM 234 C LEU A 398 16.477 -14.722 -7.586 1.00 12.86 C ATOM 235 O LEU A 398 17.198 -15.612 -8.068 1.00 15.46 O ATOM 236 CB LEU A 398 15.982 -12.707 -8.969 1.00 14.16 C ATOM 237 CG LEU A 398 16.230 -11.246 -9.345 1.00 13.60 C ATOM 238 CD1 LEU A 398 15.286 -10.804 -10.470 1.00 16.00 C ATOM 239 CD2 LEU A 398 16.056 -10.367 -8.134 1.00 16.28 C ATOM 240 H LEU A 398 18.604 -13.379 -9.046 1.00 0.00 H ATOM 241 N LYS A 399 15.357 -14.954 -6.907 1.00 11.45 N ATOM 242 CA LYS A 399 14.894 -16.309 -6.591 1.00 12.40 C ATOM 243 C LYS A 399 13.766 -16.700 -7.536 1.00 11.76 C ATOM 244 O LYS A 399 12.768 -15.979 -7.672 1.00 13.73 O ATOM 245 CB LYS A 399 14.411 -16.431 -5.151 1.00 13.08 C ATOM 246 CG LYS A 399 15.468 -16.091 -4.070 1.00 15.32 C ATOM 247 CD LYS A 399 16.623 -17.114 -4.079 1.00 16.61 C ATOM 248 CE LYS A 399 17.776 -16.706 -3.165 1.00 19.74 C ATOM 249 NZ LYS A 399 18.534 -15.576 -3.754 1.00 21.85 N ATOM 250 HZ1 LYS A 399 18.920 -15.862 -4.677 1.00 0.00 H ATOM 251 HZ2 LYS A 399 17.899 -14.762 -3.880 1.00 0.00 H ATOM 252 HZ3 LYS A 399 19.313 -15.314 -3.117 1.00 0.00 H ATOM 253 H LYS A 399 14.788 -14.144 -6.588 1.00 0.00 H ATOM 254 N TYR A 400 13.960 -17.827 -8.216 1.00 11.71 N ATOM 255 CA TYR A 400 12.985 -18.374 -9.152 1.00 12.16 C ATOM 256 C TYR A 400 12.275 -19.600 -8.595 1.00 11.43 C ATOM 257 O TYR A 400 12.906 -20.423 -7.935 1.00 12.36 O ATOM 258 CB TYR A 400 13.665 -18.751 -10.483 1.00 12.92 C ATOM 259 CG TYR A 400 14.254 -17.611 -11.304 1.00 11.00 C ATOM 260 CD1 TYR A 400 15.347 -16.838 -10.875 1.00 12.81 C ATOM 261 CD2 TYR A 400 13.707 -17.316 -12.534 1.00 13.11 C ATOM 262 CE1 TYR A 400 15.842 -15.804 -11.675 1.00 14.55 C ATOM 263 CE2 TYR A 400 14.212 -16.321 -13.335 1.00 12.66 C ATOM 264 CZ TYR A 400 15.298 -15.586 -12.929 1.00 12.88 C ATOM 265 OH TYR A 400 15.844 -14.628 -13.756 1.00 14.92 O ATOM 266 HH TYR A 400 16.149 -15.054 -14.596 1.00 0.00 H ATOM 267 H TYR A 400 14.851 -18.343 -8.073 1.00 0.00 H ATOM 268 N ILE A 401 11.009 -19.742 -8.963 1.00 11.17 N ATOM 269 CA ILE A 401 10.228 -20.951 -8.616 1.00 10.64 C ATOM 270 C ILE A 401 9.678 -21.586 -9.862 1.00 11.38 C ATOM 271 O ILE A 401 9.465 -20.934 -10.878 1.00 12.10 O ATOM 272 CB ILE A 401 9.056 -20.644 -7.644 1.00 10.88 C ATOM 273 CG1 ILE A 401 8.049 -19.615 -8.207 1.00 11.77 C ATOM 274 CG2 ILE A 401 9.620 -20.125 -6.325 1.00 12.28 C ATOM 275 CD1 ILE A 401 6.759 -19.536 -7.428 1.00 13.31 C ATOM 276 H ILE A 401 10.553 -18.984 -9.510 1.00 0.00 H ATOM 277 N SER A 402 9.438 -22.888 -9.745 1.00 11.66 N ATOM 278 CA SER A 402 8.849 -23.641 -10.848 1.00 12.04 C ATOM 279 C SER A 402 7.325 -23.517 -10.895 1.00 12.02 C ATOM 280 O SER A 402 6.674 -23.100 -9.933 1.00 11.50 O ATOM 281 CB SER A 402 9.192 -25.112 -10.623 1.00 13.75 C ATOM 282 OG SER A 402 8.456 -25.586 -9.487 1.00 15.48 O ATOM 283 HG SER A 402 8.670 -26.540 -9.331 1.00 0.00 H ATOM 284 H SER A 402 9.673 -23.376 -8.857 1.00 0.00 H ATOM 285 N PRO A 403 6.733 -23.934 -12.025 1.00 11.09 N ATOM 286 CA PRO A 403 5.286 -24.019 -12.108 1.00 13.14 C ATOM 287 C PRO A 403 4.667 -24.883 -11.019 1.00 13.23 C ATOM 288 O PRO A 403 3.609 -24.529 -10.489 1.00 12.08 O ATOM 289 CB PRO A 403 5.041 -24.637 -13.497 1.00 14.71 C ATOM 290 CG PRO A 403 6.215 -24.138 -14.293 1.00 14.53 C ATOM 291 CD PRO A 403 7.366 -24.156 -13.339 1.00 13.52 C ATOM 292 N GLU A 404 5.318 -25.999 -10.682 1.00 14.44 N ATOM 293 CA GLU A 404 4.798 -26.833 -9.610 1.00 14.12 C ATOM 294 C GLU A 404 4.708 -26.108 -8.279 1.00 11.57 C ATOM 295 O GLU A 404 3.716 -26.205 -7.515 1.00 12.88 O ATOM 296 CB GLU A 404 5.672 -28.064 -9.461 1.00 15.95 C ATOM 297 CG GLU A 404 5.155 -29.052 -8.413 1.00 22.04 C ATOM 298 CD GLU A 404 5.921 -30.345 -8.464 1.00 50.70 C ATOM 299 OE1 GLU A 404 5.640 -31.166 -9.363 1.00 53.28 O ATOM 300 OE2 GLU A 404 6.816 -30.510 -7.624 1.00 65.88 O ATOM 301 H GLU A 404 6.189 -26.269 -11.182 1.00 0.00 H ATOM 302 N THR A 405 5.740 -25.322 -7.991 1.00 11.83 N ATOM 303 CA THR A 405 5.704 -24.494 -6.761 1.00 11.33 C ATOM 304 C THR A 405 4.624 -23.437 -6.795 1.00 11.66 C ATOM 305 O THR A 405 3.968 -23.174 -5.759 1.00 11.83 O ATOM 306 CB THR A 405 7.110 -23.952 -6.502 1.00 12.28 C ATOM 307 OG1 THR A 405 8.019 -25.055 -6.284 1.00 13.17 O ATOM 308 CG2 THR A 405 7.177 -23.042 -5.292 1.00 14.55 C ATOM 309 HG1 THR A 405 7.717 -25.580 -5.501 1.00 0.00 H ATOM 310 H THR A 405 6.566 -25.288 -8.622 1.00 0.00 H ATOM 311 N MET A 406 4.447 -22.801 -7.949 1.00 11.25 N ATOM 312 CA MET A 406 3.371 -21.844 -8.082 1.00 11.59 C ATOM 313 C MET A 406 2.016 -22.502 -7.784 1.00 11.14 C ATOM 314 O MET A 406 1.170 -21.956 -7.083 1.00 11.94 O ATOM 315 CB MET A 406 3.410 -21.248 -9.508 1.00 11.86 C ATOM 316 CG MET A 406 2.381 -20.191 -9.825 1.00 13.83 C ATOM 317 SD MET A 406 2.682 -18.590 -9.083 1.00 16.45 S ATOM 318 CE MET A 406 1.760 -18.730 -7.550 1.00 22.68 C ATOM 319 H MET A 406 5.079 -22.991 -8.752 1.00 0.00 H ATOM 320 N VAL A 407 1.802 -23.687 -8.336 1.00 11.42 N ATOM 321 CA VAL A 407 0.570 -24.441 -8.034 1.00 10.95 C ATOM 322 C VAL A 407 0.448 -24.774 -6.549 1.00 12.46 C ATOM 323 O VAL A 407 -0.662 -24.714 -6.003 1.00 13.15 O ATOM 324 CB VAL A 407 0.456 -25.663 -8.946 1.00 11.10 C ATOM 325 CG1 VAL A 407 -0.570 -26.679 -8.464 1.00 14.25 C ATOM 326 CG2 VAL A 407 0.197 -25.205 -10.371 1.00 14.75 C ATOM 327 H VAL A 407 2.507 -24.089 -8.987 1.00 0.00 H ATOM 328 N ALA A 408 1.569 -25.102 -5.895 1.00 11.81 N ATOM 329 CA ALA A 408 1.529 -25.339 -4.439 1.00 13.62 C ATOM 330 C ALA A 408 1.022 -24.154 -3.674 1.00 13.63 C ATOM 331 O ALA A 408 0.231 -24.300 -2.747 1.00 14.07 O ATOM 332 CB ALA A 408 2.893 -25.762 -3.911 1.00 14.65 C ATOM 333 H ALA A 408 2.467 -25.190 -6.412 1.00 0.00 H ATOM 334 N LEU A 409 1.412 -22.961 -4.093 1.00 11.37 N ATOM 335 CA LEU A 409 0.851 -21.755 -3.459 1.00 12.89 C ATOM 336 C LEU A 409 -0.655 -21.684 -3.723 1.00 13.15 C ATOM 337 O LEU A 409 -1.442 -21.425 -2.803 1.00 14.35 O ATOM 338 CB LEU A 409 1.518 -20.496 -3.986 1.00 15.84 C ATOM 339 CG LEU A 409 2.861 -20.211 -3.370 1.00 16.03 C ATOM 340 CD1 LEU A 409 3.583 -19.198 -4.246 1.00 19.52 C ATOM 341 CD2 LEU A 409 2.705 -19.748 -1.918 1.00 16.49 C ATOM 342 H LEU A 409 2.107 -22.875 -4.862 1.00 0.00 H ATOM 343 N LEU A 410 -1.034 -21.816 -4.993 1.00 11.48 N ATOM 344 CA LEU A 410 -2.428 -21.698 -5.384 1.00 12.21 C ATOM 345 C LEU A 410 -3.360 -22.718 -4.726 1.00 11.97 C ATOM 346 O LEU A 410 -4.571 -22.468 -4.561 1.00 13.43 O ATOM 347 CB LEU A 410 -2.566 -21.770 -6.904 1.00 11.98 C ATOM 348 CG LEU A 410 -2.125 -20.497 -7.627 1.00 13.26 C ATOM 349 CD1 LEU A 410 -1.747 -20.775 -9.067 1.00 14.51 C ATOM 350 CD2 LEU A 410 -3.182 -19.382 -7.500 1.00 15.26 C ATOM 351 H LEU A 410 -0.316 -22.008 -5.721 1.00 0.00 H ATOM 352 N THR A 411 -2.818 -23.907 -4.435 1.00 11.04 N ATOM 353 CA THR A 411 -3.614 -24.930 -3.797 1.00 11.22 C ATOM 354 C THR A 411 -3.543 -24.930 -2.282 1.00 13.33 C ATOM 355 O THR A 411 -4.153 -25.795 -1.621 1.00 16.92 O ATOM 356 CB THR A 411 -3.228 -26.314 -4.269 1.00 13.38 C ATOM 357 OG1 THR A 411 -1.873 -26.626 -3.882 1.00 16.40 O ATOM 358 CG2 THR A 411 -3.431 -26.471 -5.761 1.00 14.98 C ATOM 359 HG1 THR A 411 -1.641 -27.534 -4.200 1.00 0.00 H ATOM 360 H THR A 411 -1.822 -24.095 -4.669 1.00 0.00 H ATOM 361 N GLY A 412 -2.849 -23.950 -1.709 1.00 12.46 N ATOM 362 CA GLY A 412 -2.870 -23.863 -0.247 1.00 14.30 C ATOM 363 C GLY A 412 -1.926 -24.788 0.472 1.00 13.01 C ATOM 364 O GLY A 412 -2.051 -24.936 1.700 1.00 14.95 O ATOM 365 H GLY A 412 -2.310 -23.268 -2.280 1.00 0.00 H ATOM 366 N LYS A 413 -0.919 -25.295 -0.242 1.00 13.02 N ATOM 367 CA LYS A 413 0.045 -26.221 0.373 1.00 14.96 C ATOM 368 C LYS A 413 0.739 -25.541 1.574 1.00 15.46 C ATOM 369 O LYS A 413 1.053 -26.205 2.569 1.00 21.62 O ATOM 370 CB LYS A 413 1.066 -26.710 -0.646 1.00 17.79 C ATOM 371 CG LYS A 413 1.909 -27.872 -0.142 1.00 28.83 C ATOM 372 CD LYS A 413 2.667 -28.605 -1.257 1.00 38.97 C ATOM 373 CE LYS A 413 3.430 -29.825 -0.784 1.00 66.11 C ATOM 374 NZ LYS A 413 2.548 -31.024 -0.858 1.00106.06 N ATOM 375 HZ1 LYS A 413 1.716 -30.879 -0.251 1.00 0.00 H ATOM 376 HZ2 LYS A 413 2.241 -31.167 -1.841 1.00 0.00 H ATOM 377 HZ3 LYS A 413 3.074 -31.860 -0.533 1.00 0.00 H ATOM 378 H LYS A 413 -0.815 -25.033 -1.243 1.00 0.00 H ATOM 379 N PHE A 414 0.915 -24.222 1.463 1.00 14.30 N ATOM 380 CA PHE A 414 1.653 -23.441 2.455 1.00 18.53 C ATOM 381 C PHE A 414 0.753 -22.577 3.327 1.00 15.84 C ATOM 382 O PHE A 414 1.207 -21.611 3.912 1.00 17.90 O ATOM 383 CB PHE A 414 2.646 -22.515 1.742 1.00 19.44 C ATOM 384 CG PHE A 414 3.670 -23.259 0.953 1.00 20.67 C ATOM 385 CD1 PHE A 414 4.658 -23.959 1.606 1.00 31.21 C ATOM 386 CD2 PHE A 414 3.580 -23.345 -0.425 1.00 22.47 C ATOM 387 CE1 PHE A 414 5.577 -24.707 0.902 1.00 37.42 C ATOM 388 CE2 PHE A 414 4.514 -24.069 -1.136 1.00 26.26 C ATOM 389 CZ PHE A 414 5.530 -24.709 -0.472 1.00 29.99 C ATOM 390 H PHE A 414 0.512 -23.731 0.639 1.00 0.00 H ATOM 391 N SER A 415 -0.541 -22.843 3.304 1.00 14.41 N ATOM 392 CA SER A 415 -1.522 -21.940 3.907 1.00 15.62 C ATOM 393 C SER A 415 -1.374 -21.710 5.396 1.00 15.96 C ATOM 394 O SER A 415 -1.846 -20.684 5.908 1.00 20.82 O ATOM 395 CB SER A 415 -2.955 -22.367 3.555 1.00 20.48 C ATOM 396 OG SER A 415 -3.314 -23.552 4.236 1.00 25.66 O ATOM 397 HG SER A 415 -4.240 -23.804 3.992 1.00 0.00 H ATOM 398 H SER A 415 -0.871 -23.716 2.846 1.00 0.00 H ATOM 399 N ASN A 416 -0.782 -22.609 6.158 1.00 14.70 N ATOM 400 CA ASN A 416 -0.625 -22.308 7.572 1.00 12.92 C ATOM 401 C ASN A 416 0.377 -21.174 7.773 1.00 16.54 C ATOM 402 O ASN A 416 0.313 -20.459 8.778 1.00 15.81 O ATOM 403 CB ASN A 416 -0.149 -23.533 8.332 1.00 12.99 C ATOM 404 CG ASN A 416 -1.288 -24.338 8.849 1.00 24.21 C ATOM 405 OD1 ASN A 416 -1.995 -23.902 9.752 1.00 28.29 O ATOM 406 ND2 ASN A 416 -1.418 -25.567 8.353 1.00 36.13 N ATOM 407 HD22 ASN A 416 -0.792 -25.887 7.587 1.00 0.00 H ATOM 408 HD21 ASN A 416 -2.145 -26.206 8.732 1.00 0.00 H ATOM 409 H ASN A 416 -0.438 -23.506 5.760 1.00 0.00 H ATOM 410 N ILE A 417 1.267 -20.974 6.797 1.00 16.01 N ATOM 411 CA ILE A 417 2.365 -20.024 6.944 1.00 16.91 C ATOM 412 C ILE A 417 2.124 -18.788 6.064 1.00 15.68 C ATOM 413 O ILE A 417 2.469 -17.704 6.474 1.00 19.28 O ATOM 414 CB ILE A 417 3.707 -20.682 6.570 1.00 19.02 C ATOM 415 CG1 ILE A 417 4.076 -21.728 7.606 1.00 25.13 C ATOM 416 CG2 ILE A 417 4.833 -19.654 6.463 1.00 22.73 C ATOM 417 CD1 ILE A 417 5.206 -22.623 7.143 1.00 40.20 C ATOM 418 H ILE A 417 1.175 -21.509 5.910 1.00 0.00 H ATOM 419 N VAL A 418 1.697 -18.998 4.824 1.00 15.63 N ATOM 420 CA VAL A 418 1.503 -17.923 3.873 1.00 14.09 C ATOM 421 C VAL A 418 0.088 -17.396 3.970 1.00 15.14 C ATOM 422 O VAL A 418 -0.878 -18.081 3.604 1.00 17.18 O ATOM 423 CB VAL A 418 1.833 -18.351 2.434 1.00 14.96 C ATOM 424 CG1 VAL A 418 1.621 -17.206 1.447 1.00 15.08 C ATOM 425 CG2 VAL A 418 3.261 -18.848 2.379 1.00 17.26 C ATOM 426 H VAL A 418 1.494 -19.973 4.524 1.00 0.00 H ATOM 427 N ASP A 419 -0.041 -16.203 4.531 1.00 14.38 N ATOM 428 CA ASP A 419 -1.371 -15.580 4.652 1.00 16.48 C ATOM 429 C ASP A 419 -1.880 -15.046 3.327 1.00 14.47 C ATOM 430 O ASP A 419 -3.067 -15.219 2.952 1.00 17.56 O ATOM 431 CB ASP A 419 -1.354 -14.473 5.700 1.00 18.20 C ATOM 432 CG ASP A 419 -2.730 -14.058 6.132 1.00 20.97 C ATOM 433 OD1 ASP A 419 -3.527 -14.928 6.598 1.00 23.96 O ATOM 434 OD2 ASP A 419 -3.031 -12.840 5.987 1.00 23.53 O ATOM 435 H ASP A 419 0.799 -15.704 4.887 1.00 0.00 H ATOM 436 N LYS A 420 -0.981 -14.402 2.587 1.00 13.97 N ATOM 437 CA LYS A 420 -1.314 -13.748 1.346 1.00 15.01 C ATOM 438 C LYS A 420 -0.168 -13.943 0.362 1.00 12.69 C ATOM 439 O LYS A 420 1.008 -13.861 0.738 1.00 14.13 O ATOM 440 CB LYS A 420 -1.575 -12.273 1.549 1.00 15.08 C ATOM 441 CG LYS A 420 -2.769 -11.986 2.459 1.00 19.09 C ATOM 442 CD LYS A 420 -2.998 -10.520 2.632 1.00 19.08 C ATOM 443 CE LYS A 420 -4.105 -10.212 3.623 1.00 23.51 C ATOM 444 NZ LYS A 420 -4.334 -8.750 3.713 1.00 25.90 N ATOM 445 HZ1 LYS A 420 -3.460 -8.282 4.028 1.00 0.00 H ATOM 446 HZ2 LYS A 420 -4.607 -8.385 2.778 1.00 0.00 H ATOM 447 HZ3 LYS A 420 -5.095 -8.561 4.396 1.00 0.00 H ATOM 448 H LYS A 420 0.004 -14.369 2.918 1.00 0.00 H ATOM 449 N PHE A 421 -0.517 -14.052 -0.911 1.00 13.08 N ATOM 450 CA PHE A 421 0.459 -13.961 -1.953 1.00 13.56 C ATOM 451 C PHE A 421 -0.198 -13.272 -3.124 1.00 12.66 C ATOM 452 O PHE A 421 -1.421 -13.408 -3.337 1.00 15.82 O ATOM 453 CB PHE A 421 1.096 -15.319 -2.336 1.00 13.08 C ATOM 454 CG PHE A 421 0.131 -16.326 -2.894 1.00 13.86 C ATOM 455 CD1 PHE A 421 -0.578 -17.165 -2.064 1.00 15.06 C ATOM 456 CD2 PHE A 421 -0.120 -16.371 -4.237 1.00 14.73 C ATOM 457 CE1 PHE A 421 -1.494 -18.075 -2.585 1.00 17.04 C ATOM 458 CE2 PHE A 421 -0.996 -17.277 -4.788 1.00 16.60 C ATOM 459 CZ PHE A 421 -1.724 -18.098 -3.943 1.00 17.46 C ATOM 460 H PHE A 421 -1.516 -14.206 -1.157 1.00 0.00 H ATOM 461 N VAL A 422 0.613 -12.544 -3.871 1.00 10.63 N ATOM 462 CA VAL A 422 0.125 -11.812 -5.036 1.00 10.68 C ATOM 463 C VAL A 422 0.937 -12.291 -6.237 1.00 9.86 C ATOM 464 O VAL A 422 2.178 -12.257 -6.195 1.00 11.28 O ATOM 465 CB VAL A 422 0.315 -10.312 -4.901 1.00 12.67 C ATOM 466 CG1 VAL A 422 -0.293 -9.601 -6.085 1.00 14.34 C ATOM 467 CG2 VAL A 422 -0.297 -9.805 -3.615 1.00 19.01 C ATOM 468 H VAL A 422 1.622 -12.491 -3.623 1.00 0.00 H ATOM 469 N ILE A 423 0.243 -12.739 -7.278 1.00 9.50 N ATOM 470 CA ILE A 423 0.906 -13.043 -8.522 1.00 9.74 C ATOM 471 C ILE A 423 0.807 -11.801 -9.417 1.00 9.85 C ATOM 472 O ILE A 423 -0.303 -11.388 -9.777 1.00 11.80 O ATOM 473 CB ILE A 423 0.241 -14.228 -9.247 1.00 10.90 C ATOM 474 CG1 ILE A 423 0.157 -15.455 -8.349 1.00 13.46 C ATOM 475 CG2 ILE A 423 0.949 -14.523 -10.544 1.00 12.07 C ATOM 476 CD1 ILE A 423 -0.681 -16.583 -8.892 1.00 15.74 C ATOM 477 H ILE A 423 -0.785 -12.871 -7.195 1.00 0.00 H ATOM 478 N VAL A 424 1.955 -11.227 -9.741 1.00 9.21 N ATOM 479 CA VAL A 424 2.003 -10.000 -10.536 1.00 9.70 C ATOM 480 C VAL A 424 2.394 -10.310 -11.959 1.00 9.08 C ATOM 481 O VAL A 424 3.553 -10.648 -12.237 1.00 10.22 O ATOM 482 CB VAL A 424 2.975 -8.984 -9.919 1.00 9.64 C ATOM 483 CG1 VAL A 424 3.043 -7.685 -10.729 1.00 11.60 C ATOM 484 CG2 VAL A 424 2.688 -8.720 -8.456 1.00 12.43 C ATOM 485 H VAL A 424 2.845 -11.659 -9.422 1.00 0.00 H ATOM 486 N ASP A 425 1.388 -10.270 -12.836 1.00 9.79 N ATOM 487 CA ASP A 425 1.560 -10.503 -14.248 1.00 9.44 C ATOM 488 C ASP A 425 2.009 -9.174 -14.853 1.00 9.01 C ATOM 489 O ASP A 425 1.254 -8.215 -14.918 1.00 10.87 O ATOM 490 CB ASP A 425 0.262 -11.018 -14.861 1.00 9.65 C ATOM 491 CG ASP A 425 0.396 -11.461 -16.317 1.00 10.58 C ATOM 492 OD1 ASP A 425 1.312 -10.970 -17.017 1.00 11.28 O ATOM 493 OD2 ASP A 425 -0.478 -12.269 -16.746 1.00 11.59 O ATOM 494 H ASP A 425 0.433 -10.060 -12.483 1.00 0.00 H ATOM 495 N CYS A 426 3.238 -9.148 -15.307 1.00 8.95 N ATOM 496 CA CYS A 426 3.906 -7.956 -15.808 1.00 9.79 C ATOM 497 C CYS A 426 3.759 -7.760 -17.311 1.00 10.58 C ATOM 498 O CYS A 426 4.421 -6.890 -17.916 1.00 11.28 O ATOM 499 CB CYS A 426 5.383 -7.980 -15.417 1.00 11.18 C ATOM 500 SG CYS A 426 5.627 -8.014 -13.630 1.00 12.46 S ATOM 501 H CYS A 426 3.773 -10.040 -15.309 1.00 0.00 H ATOM 502 N ARG A 427 2.959 -8.624 -17.931 1.00 10.95 N ATOM 503 CA ARG A 427 2.724 -8.538 -19.360 1.00 10.50 C ATOM 504 C ARG A 427 1.745 -7.431 -19.715 1.00 11.36 C ATOM 505 O ARG A 427 1.079 -6.880 -18.847 1.00 11.06 O ATOM 506 CB ARG A 427 2.248 -9.872 -19.906 1.00 10.20 C ATOM 507 CG ARG A 427 3.205 -11.033 -19.668 1.00 9.90 C ATOM 508 CD ARG A 427 2.639 -12.350 -20.182 1.00 11.43 C ATOM 509 NE ARG A 427 1.395 -12.664 -19.460 1.00 10.23 N ATOM 510 CZ ARG A 427 0.444 -13.492 -19.909 1.00 10.93 C ATOM 511 NH1 ARG A 427 0.577 -14.089 -21.089 1.00 12.18 N ATOM 512 NH2 ARG A 427 -0.609 -13.686 -19.168 1.00 11.07 N ATOM 513 HE ARG A 427 1.245 -12.211 -18.536 1.00 0.00 H ATOM 514 HH12 ARG A 427 -0.165 -14.731 -21.433 1.00 0.00 H ATOM 515 HH11 ARG A 427 1.423 -13.914 -21.668 1.00 0.00 H ATOM 516 HH22 ARG A 427 -1.363 -14.324 -19.493 1.00 0.00 H ATOM 517 HH21 ARG A 427 -0.696 -13.203 -18.251 1.00 0.00 H ATOM 518 H ARG A 427 2.494 -9.374 -17.381 1.00 0.00 H ATOM 519 N TYR A 428 1.617 -7.136 -21.012 1.00 10.26 N ATOM 520 CA TYR A 428 0.713 -6.086 -21.416 1.00 12.27 C ATOM 521 C TYR A 428 -0.733 -6.556 -21.320 1.00 11.55 C ATOM 522 O TYR A 428 -1.006 -7.779 -21.341 1.00 12.00 O ATOM 523 CB TYR A 428 1.091 -5.590 -22.826 1.00 14.26 C ATOM 524 CG TYR A 428 2.559 -5.214 -22.942 1.00 14.64 C ATOM 525 CD1 TYR A 428 3.292 -4.743 -21.836 1.00 14.19 C ATOM 526 CD2 TYR A 428 3.198 -5.272 -24.164 1.00 17.39 C ATOM 527 CE1 TYR A 428 4.635 -4.383 -21.958 1.00 16.20 C ATOM 528 CE2 TYR A 428 4.528 -4.891 -24.314 1.00 18.69 C ATOM 529 CZ TYR A 428 5.233 -4.446 -23.215 1.00 19.45 C ATOM 530 OH TYR A 428 6.542 -4.115 -23.411 1.00 22.68 O ATOM 531 HH TYR A 428 6.936 -3.813 -22.555 1.00 0.00 H ATOM 532 H TYR A 428 2.165 -7.659 -21.725 1.00 0.00 H ATOM 533 N PRO A 429 -1.678 -5.612 -21.286 1.00 13.31 N ATOM 534 CA PRO A 429 -3.034 -6.028 -21.042 1.00 13.05 C ATOM 535 C PRO A 429 -3.631 -6.990 -22.026 1.00 12.73 C ATOM 536 O PRO A 429 -4.232 -7.992 -21.598 1.00 12.45 O ATOM 537 CB PRO A 429 -3.803 -4.720 -20.927 1.00 14.23 C ATOM 538 CG PRO A 429 -2.768 -3.757 -20.425 1.00 15.64 C ATOM 539 CD PRO A 429 -1.537 -4.140 -21.206 1.00 14.77 C ATOM 540 N TYR A 430 -3.278 -6.876 -23.305 1.00 13.98 N ATOM 541 CA TYR A 430 -3.823 -7.815 -24.291 1.00 13.22 C ATOM 542 C TYR A 430 -3.284 -9.214 -24.029 1.00 12.66 C ATOM 543 O TYR A 430 -3.971 -10.219 -24.284 1.00 14.49 O ATOM 544 CB TYR A 430 -3.575 -7.352 -25.749 1.00 15.87 C ATOM 545 CG TYR A 430 -2.137 -7.304 -26.162 1.00 14.23 C ATOM 546 CD1 TYR A 430 -1.372 -6.135 -25.992 1.00 14.22 C ATOM 547 CD2 TYR A 430 -1.509 -8.373 -26.743 1.00 14.64 C ATOM 548 CE1 TYR A 430 -0.051 -6.078 -26.379 1.00 14.59 C ATOM 549 CE2 TYR A 430 -0.178 -8.310 -27.122 1.00 14.46 C ATOM 550 CZ TYR A 430 0.560 -7.162 -26.905 1.00 14.90 C ATOM 551 OH TYR A 430 1.863 -7.033 -27.327 1.00 15.25 O ATOM 552 HH TYR A 430 1.902 -7.134 -28.311 1.00 0.00 H ATOM 553 H TYR A 430 -2.621 -6.127 -23.602 1.00 0.00 H ATOM 554 N GLU A 431 -2.046 -9.332 -23.546 1.00 12.28 N ATOM 555 CA GLU A 431 -1.477 -10.659 -23.207 1.00 12.33 C ATOM 556 C GLU A 431 -2.252 -11.279 -22.058 1.00 12.12 C ATOM 557 O GLU A 431 -2.672 -12.450 -22.126 1.00 13.06 O ATOM 558 CB GLU A 431 0.023 -10.515 -22.856 1.00 11.84 C ATOM 559 CG GLU A 431 0.898 -10.155 -24.030 1.00 12.52 C ATOM 560 CD GLU A 431 2.297 -9.849 -23.563 1.00 12.28 C ATOM 561 OE1 GLU A 431 3.115 -10.795 -23.390 1.00 13.12 O ATOM 562 OE2 GLU A 431 2.535 -8.638 -23.347 1.00 12.03 O ATOM 563 H GLU A 431 -1.470 -8.478 -23.405 1.00 0.00 H ATOM 564 N TYR A 432 -2.431 -10.481 -21.012 1.00 11.62 N ATOM 565 CA TYR A 432 -3.171 -10.946 -19.839 1.00 11.85 C ATOM 566 C TYR A 432 -4.592 -11.364 -20.193 1.00 12.70 C ATOM 567 O TYR A 432 -5.077 -12.419 -19.746 1.00 13.16 O ATOM 568 CB TYR A 432 -3.163 -9.786 -18.822 1.00 11.97 C ATOM 569 CG TYR A 432 -3.958 -10.018 -17.570 1.00 12.37 C ATOM 570 CD1 TYR A 432 -3.374 -10.648 -16.488 1.00 12.59 C ATOM 571 CD2 TYR A 432 -5.236 -9.519 -17.429 1.00 14.66 C ATOM 572 CE1 TYR A 432 -4.029 -10.781 -15.292 1.00 14.77 C ATOM 573 CE2 TYR A 432 -5.939 -9.703 -16.239 1.00 15.32 C ATOM 574 CZ TYR A 432 -5.326 -10.326 -15.153 1.00 16.88 C ATOM 575 OH TYR A 432 -6.034 -10.370 -13.952 1.00 17.77 O ATOM 576 HH TYR A 432 -5.491 -10.835 -13.267 1.00 0.00 H ATOM 577 H TYR A 432 -2.042 -9.517 -21.027 1.00 0.00 H ATOM 578 N GLU A 433 -5.253 -10.553 -21.017 1.00 13.56 N ATOM 579 CA GLU A 433 -6.620 -10.853 -21.460 1.00 13.35 C ATOM 580 C GLU A 433 -6.713 -12.147 -22.246 1.00 14.43 C ATOM 581 O GLU A 433 -7.780 -12.778 -22.268 1.00 17.28 O ATOM 582 CB GLU A 433 -7.207 -9.656 -22.250 1.00 16.83 C ATOM 583 CG GLU A 433 -7.326 -8.396 -21.431 1.00 18.72 C ATOM 584 CD GLU A 433 -7.470 -7.115 -22.270 1.00 26.53 C ATOM 585 OE1 GLU A 433 -7.581 -7.190 -23.518 1.00 35.05 O ATOM 586 OE2 GLU A 433 -7.348 -6.004 -21.711 1.00 28.50 O ATOM 587 H GLU A 433 -4.789 -9.686 -21.355 1.00 0.00 H ATOM 588 N GLY A 434 -5.643 -12.507 -22.948 1.00 14.45 N ATOM 589 CA GLY A 434 -5.596 -13.752 -23.695 1.00 15.75 C ATOM 590 C GLY A 434 -5.366 -15.028 -22.938 1.00 15.55 C ATOM 591 O GLY A 434 -5.312 -16.081 -23.575 1.00 18.56 O ATOM 592 H GLY A 434 -4.815 -11.878 -22.963 1.00 0.00 H ATOM 593 N GLY A 435 -5.151 -14.927 -21.631 1.00 13.98 N ATOM 594 CA GLY A 435 -4.907 -16.114 -20.780 1.00 13.30 C ATOM 595 C GLY A 435 -3.934 -15.717 -19.705 1.00 12.57 C ATOM 596 O GLY A 435 -2.807 -15.285 -20.024 1.00 12.41 O ATOM 597 H GLY A 435 -5.154 -13.984 -21.192 1.00 0.00 H ATOM 598 N HIS A 436 -4.365 -15.771 -18.452 1.00 12.68 N ATOM 599 CA HIS A 436 -3.501 -15.461 -17.301 1.00 10.77 C ATOM 600 C HIS A 436 -3.726 -16.481 -16.203 1.00 10.97 C ATOM 601 O HIS A 436 -4.649 -17.293 -16.275 1.00 12.12 O ATOM 602 CB HIS A 436 -3.739 -14.025 -16.805 1.00 11.31 C ATOM 603 CG HIS A 436 -5.148 -13.748 -16.372 1.00 13.18 C ATOM 604 ND1 HIS A 436 -6.098 -13.214 -17.219 1.00 15.44 N ATOM 605 CD2 HIS A 436 -5.804 -14.077 -15.230 1.00 14.71 C ATOM 606 CE1 HIS A 436 -7.256 -13.136 -16.579 1.00 17.40 C ATOM 607 NE2 HIS A 436 -7.111 -13.654 -15.371 1.00 18.06 N ATOM 608 H HIS A 436 -5.353 -16.043 -18.275 1.00 0.00 H ATOM 609 N ILE A 437 -2.843 -16.458 -15.209 1.00 10.08 N ATOM 610 CA ILE A 437 -2.978 -17.381 -14.085 1.00 9.60 C ATOM 611 C ILE A 437 -4.118 -16.902 -13.215 1.00 9.84 C ATOM 612 O ILE A 437 -4.242 -15.693 -12.921 1.00 11.67 O ATOM 613 CB ILE A 437 -1.674 -17.463 -13.275 1.00 10.15 C ATOM 614 CG1 ILE A 437 -0.533 -17.858 -14.199 1.00 11.06 C ATOM 615 CG2 ILE A 437 -1.789 -18.390 -12.071 1.00 11.82 C ATOM 616 CD1 ILE A 437 0.828 -17.926 -13.550 1.00 13.43 C ATOM 617 H ILE A 437 -2.054 -15.781 -15.232 1.00 0.00 H ATOM 618 N LYS A 438 -4.988 -17.807 -12.781 1.00 12.45 N ATOM 619 CA LYS A 438 -6.100 -17.420 -11.916 1.00 13.66 C ATOM 620 C LYS A 438 -5.598 -16.691 -10.689 1.00 13.47 C ATOM 621 O LYS A 438 -4.603 -17.091 -10.074 1.00 15.40 O ATOM 622 CB LYS A 438 -6.836 -18.673 -11.436 1.00 15.92 C ATOM 623 CG LYS A 438 -7.630 -19.340 -12.523 1.00 16.93 C ATOM 624 CD LYS A 438 -8.339 -20.627 -12.036 1.00 25.55 C ATOM 625 CE LYS A 438 -9.267 -20.987 -13.158 1.00 30.07 C ATOM 626 NZ LYS A 438 -10.296 -21.933 -12.709 1.00 38.94 N ATOM 627 HZ1 LYS A 438 -9.840 -22.801 -12.362 1.00 0.00 H ATOM 628 HZ2 LYS A 438 -10.851 -21.502 -11.943 1.00 0.00 H ATOM 629 HZ3 LYS A 438 -10.924 -22.164 -13.505 1.00 0.00 H ATOM 630 H LYS A 438 -4.876 -18.803 -13.060 1.00 0.00 H ATOM 631 N THR A 439 -6.283 -15.581 -10.418 1.00 15.39 N ATOM 632 CA THR A 439 -5.993 -14.725 -9.257 1.00 17.10 C ATOM 633 C THR A 439 -4.905 -13.699 -9.512 1.00 12.25 C ATOM 634 O THR A 439 -4.756 -12.755 -8.708 1.00 12.87 O ATOM 635 CB THR A 439 -5.655 -15.466 -7.913 1.00 18.15 C ATOM 636 OG1 THR A 439 -4.260 -15.778 -7.755 1.00 21.67 O ATOM 637 CG2 THR A 439 -6.626 -16.532 -7.513 1.00 24.48 C ATOM 638 HG1 THR A 439 -3.969 -16.366 -8.496 1.00 0.00 H ATOM 639 H THR A 439 -7.058 -15.307 -11.056 1.00 0.00 H ATOM 640 N ALA A 440 -4.181 -13.811 -10.631 1.00 11.39 N ATOM 641 CA ALA A 440 -3.105 -12.858 -10.922 1.00 10.78 C ATOM 642 C ALA A 440 -3.656 -11.470 -11.174 1.00 9.80 C ATOM 643 O ALA A 440 -4.769 -11.305 -11.668 1.00 13.12 O ATOM 644 CB ALA A 440 -2.279 -13.307 -12.113 1.00 12.29 C ATOM 645 H ALA A 440 -4.383 -14.581 -11.301 1.00 0.00 H ATOM 646 N VAL A 441 -2.844 -10.484 -10.792 1.00 12.19 N ATOM 647 CA VAL A 441 -3.141 -9.085 -11.068 1.00 10.60 C ATOM 648 C VAL A 441 -2.208 -8.584 -12.175 1.00 10.01 C ATOM 649 O VAL A 441 -1.001 -8.896 -12.174 1.00 13.88 O ATOM 650 CB VAL A 441 -3.005 -8.204 -9.817 1.00 13.02 C ATOM 651 CG1 VAL A 441 -1.664 -8.239 -9.183 1.00 19.42 C ATOM 652 CG2 VAL A 441 -3.389 -6.784 -10.053 1.00 18.52 C ATOM 653 H VAL A 441 -1.970 -10.721 -10.280 1.00 0.00 H ATOM 654 N ASN A 442 -2.741 -7.801 -13.108 1.00 11.24 N ATOM 655 CA ASN A 442 -1.952 -7.333 -14.234 1.00 11.21 C ATOM 656 C ASN A 442 -1.435 -5.917 -13.932 1.00 12.18 C ATOM 657 O ASN A 442 -2.226 -4.970 -13.827 1.00 14.27 O ATOM 658 CB ASN A 442 -2.863 -7.284 -15.464 1.00 11.93 C ATOM 659 CG ASN A 442 -2.128 -7.052 -16.773 1.00 11.92 C ATOM 660 OD1 ASN A 442 -2.745 -6.503 -17.711 1.00 14.34 O ATOM 661 ND2 ASN A 442 -0.874 -7.522 -16.897 1.00 11.79 N ATOM 662 HD22 ASN A 442 -0.404 -7.971 -16.085 1.00 0.00 H ATOM 663 HD21 ASN A 442 -0.374 -7.436 -17.805 1.00 0.00 H ATOM 664 H ASN A 442 -3.739 -7.519 -13.030 1.00 0.00 H ATOM 665 N LEU A 443 -0.122 -5.795 -13.721 1.00 11.24 N ATOM 666 CA LEU A 443 0.502 -4.525 -13.340 1.00 11.53 C ATOM 667 C LEU A 443 1.749 -4.260 -14.205 1.00 11.73 C ATOM 668 O LEU A 443 2.870 -4.250 -13.707 1.00 13.00 O ATOM 669 CB LEU A 443 0.871 -4.516 -11.853 1.00 12.68 C ATOM 670 CG LEU A 443 -0.276 -4.695 -10.861 1.00 14.16 C ATOM 671 CD1 LEU A 443 0.290 -5.063 -9.488 1.00 14.46 C ATOM 672 CD2 LEU A 443 -1.182 -3.475 -10.818 1.00 14.46 C ATOM 673 H LEU A 443 0.482 -6.635 -13.831 1.00 0.00 H ATOM 674 N PRO A 444 1.544 -4.017 -15.514 1.00 11.83 N ATOM 675 CA PRO A 444 2.695 -3.877 -16.378 1.00 12.02 C ATOM 676 C PRO A 444 3.428 -2.546 -16.326 1.00 11.31 C ATOM 677 O PRO A 444 4.611 -2.482 -16.678 1.00 13.84 O ATOM 678 CB PRO A 444 2.127 -4.058 -17.787 1.00 12.62 C ATOM 679 CG PRO A 444 0.705 -3.625 -17.655 1.00 12.64 C ATOM 680 CD PRO A 444 0.313 -4.202 -16.296 1.00 14.27 C ATOM 681 N LEU A 445 2.774 -1.485 -15.857 1.00 11.11 N ATOM 682 CA LEU A 445 3.414 -0.162 -15.692 1.00 12.53 C ATOM 683 C LEU A 445 3.928 -0.046 -14.271 1.00 12.20 C ATOM 684 O LEU A 445 3.209 -0.281 -13.320 1.00 13.34 O ATOM 685 CB LEU A 445 2.409 0.965 -15.995 1.00 14.21 C ATOM 686 CG LEU A 445 1.960 1.011 -17.444 1.00 15.26 C ATOM 687 CD1 LEU A 445 0.796 1.976 -17.558 1.00 17.29 C ATOM 688 CD2 LEU A 445 3.084 1.349 -18.408 1.00 15.07 C ATOM 689 H LEU A 445 1.773 -1.591 -15.596 1.00 0.00 H ATOM 690 N GLU A 446 5.176 0.366 -14.121 1.00 13.61 N ATOM 691 CA GLU A 446 5.800 0.581 -12.811 1.00 14.73 C ATOM 692 C GLU A 446 4.980 1.490 -11.913 1.00 14.11 C ATOM 693 O GLU A 446 4.767 1.149 -10.753 1.00 15.39 O ATOM 694 CB GLU A 446 7.243 1.111 -12.935 1.00 19.11 C ATOM 695 CG GLU A 446 8.201 0.022 -13.399 1.00 17.84 C ATOM 696 CD GLU A 446 9.675 0.411 -13.435 1.00 19.06 C ATOM 697 OE1 GLU A 446 9.998 1.622 -13.405 1.00 20.25 O ATOM 698 OE2 GLU A 446 10.493 -0.542 -13.539 1.00 21.62 O ATOM 699 H GLU A 446 5.743 0.546 -14.974 1.00 0.00 H ATOM 700 N ARG A 447 4.406 2.550 -12.468 1.00 14.29 N ATOM 701 CA ARG A 447 3.635 3.471 -11.606 1.00 15.95 C ATOM 702 C ARG A 447 2.375 2.800 -11.025 1.00 13.94 C ATOM 703 O ARG A 447 1.986 3.062 -9.889 1.00 17.82 O ATOM 704 CB ARG A 447 3.267 4.746 -12.364 1.00 18.87 C ATOM 705 CG ARG A 447 2.425 4.576 -13.608 1.00 17.22 C ATOM 706 CD ARG A 447 2.546 5.849 -14.415 1.00 18.93 C ATOM 707 NE ARG A 447 1.674 5.880 -15.569 1.00 18.89 N ATOM 708 CZ ARG A 447 2.067 5.536 -16.785 1.00 16.47 C ATOM 709 NH1 ARG A 447 3.267 4.986 -16.941 1.00 14.46 N ATOM 710 NH2 ARG A 447 1.259 5.721 -17.829 1.00 17.19 N ATOM 711 HE ARG A 447 0.690 6.188 -15.436 1.00 0.00 H ATOM 712 HH12 ARG A 447 3.593 4.709 -17.889 1.00 0.00 H ATOM 713 HH11 ARG A 447 3.880 4.832 -16.115 1.00 0.00 H ATOM 714 HH22 ARG A 447 1.572 5.449 -18.783 1.00 0.00 H ATOM 715 HH21 ARG A 447 0.316 6.137 -17.689 1.00 0.00 H ATOM 716 H ARG A 447 4.497 2.729 -13.488 1.00 0.00 H ATOM 717 N ASP A 448 1.796 1.891 -11.810 1.00 13.47 N ATOM 718 CA ASP A 448 0.641 1.158 -11.362 1.00 13.17 C ATOM 719 C ASP A 448 1.003 0.019 -10.379 1.00 13.63 C ATOM 720 O ASP A 448 0.331 -0.173 -9.382 1.00 15.05 O ATOM 721 CB ASP A 448 -0.130 0.610 -12.561 1.00 16.29 C ATOM 722 CG ASP A 448 -0.760 1.721 -13.407 1.00 17.33 C ATOM 723 OD1 ASP A 448 -1.016 2.852 -12.909 1.00 21.17 O ATOM 724 OD2 ASP A 448 -0.984 1.458 -14.615 1.00 18.87 O ATOM 725 H ASP A 448 2.184 1.709 -12.758 1.00 0.00 H ATOM 726 N ALA A 449 2.117 -0.653 -10.603 1.00 12.52 N ATOM 727 CA ALA A 449 2.572 -1.637 -9.655 1.00 12.56 C ATOM 728 C ALA A 449 2.908 -1.009 -8.300 1.00 13.15 C ATOM 729 O ALA A 449 2.554 -1.526 -7.254 1.00 12.84 O ATOM 730 CB ALA A 449 3.789 -2.383 -10.200 1.00 13.42 C ATOM 731 H ALA A 449 2.668 -0.471 -11.466 1.00 0.00 H ATOM 732 N GLU A 450 3.564 0.137 -8.347 1.00 12.79 N ATOM 733 CA GLU A 450 3.936 0.855 -7.135 1.00 16.03 C ATOM 734 C GLU A 450 2.670 1.275 -6.376 1.00 15.84 C ATOM 735 O GLU A 450 2.574 1.109 -5.151 1.00 16.61 O ATOM 736 CB GLU A 450 4.842 2.045 -7.478 1.00 16.75 C ATOM 737 CG GLU A 450 5.222 2.833 -6.254 1.00 20.98 C ATOM 738 CD GLU A 450 6.221 3.950 -6.504 1.00 22.29 C ATOM 739 OE1 GLU A 450 6.535 4.207 -7.672 1.00 32.75 O ATOM 740 OE2 GLU A 450 6.704 4.528 -5.521 1.00 39.45 O ATOM 741 H GLU A 450 3.821 0.536 -9.272 1.00 0.00 H ATOM 742 N SER A 451 1.689 1.829 -7.067 1.00 15.50 N ATOM 743 CA SER A 451 0.438 2.221 -6.399 1.00 16.08 C ATOM 744 C SER A 451 -0.304 1.022 -5.782 1.00 15.65 C ATOM 745 O SER A 451 -0.694 1.030 -4.615 1.00 18.55 O ATOM 746 CB SER A 451 -0.460 2.942 -7.408 1.00 24.94 C ATOM 747 OG SER A 451 -1.563 3.437 -6.723 1.00 29.38 O ATOM 748 HG SER A 451 -2.053 2.686 -6.303 1.00 0.00 H ATOM 749 H SER A 451 1.802 1.989 -8.088 1.00 0.00 H ATOM 750 N PHE A 452 -0.419 -0.052 -6.548 1.00 13.48 N ATOM 751 CA PHE A 452 -1.147 -1.221 -6.073 1.00 12.98 C ATOM 752 C PHE A 452 -0.472 -1.889 -4.887 1.00 12.26 C ATOM 753 O PHE A 452 -1.156 -2.281 -3.925 1.00 15.09 O ATOM 754 CB PHE A 452 -1.281 -2.229 -7.221 1.00 14.27 C ATOM 755 CG PHE A 452 -2.144 -3.409 -6.876 1.00 15.25 C ATOM 756 CD1 PHE A 452 -1.603 -4.534 -6.276 1.00 15.62 C ATOM 757 CD2 PHE A 452 -3.484 -3.412 -7.175 1.00 17.55 C ATOM 758 CE1 PHE A 452 -2.391 -5.635 -6.002 1.00 16.13 C ATOM 759 CE2 PHE A 452 -4.297 -4.478 -6.833 1.00 21.32 C ATOM 760 CZ PHE A 452 -3.738 -5.609 -6.259 1.00 17.62 C ATOM 761 H PHE A 452 0.013 -0.061 -7.494 1.00 0.00 H ATOM 762 N LEU A 453 0.845 -1.985 -4.937 1.00 12.07 N ATOM 763 CA LEU A 453 1.567 -2.719 -3.912 1.00 12.13 C ATOM 764 C LEU A 453 1.996 -1.867 -2.733 1.00 12.78 C ATOM 765 O LEU A 453 2.076 -2.364 -1.628 1.00 14.73 O ATOM 766 CB LEU A 453 2.785 -3.407 -4.488 1.00 13.23 C ATOM 767 CG LEU A 453 2.415 -4.492 -5.475 1.00 14.69 C ATOM 768 CD1 LEU A 453 3.685 -4.911 -6.220 1.00 14.63 C ATOM 769 CD2 LEU A 453 1.747 -5.716 -4.845 1.00 14.82 C ATOM 770 H LEU A 453 1.367 -1.533 -5.714 1.00 0.00 H ATOM 771 N LEU A 454 2.289 -0.594 -2.950 1.00 13.42 N ATOM 772 CA LEU A 454 2.937 0.177 -1.885 1.00 16.03 C ATOM 773 C LEU A 454 2.156 1.368 -1.355 1.00 19.15 C ATOM 774 O LEU A 454 2.517 1.871 -0.301 1.00 21.15 O ATOM 775 CB LEU A 454 4.355 0.589 -2.288 1.00 17.41 C ATOM 776 CG LEU A 454 5.374 -0.555 -2.388 1.00 17.59 C ATOM 777 CD1 LEU A 454 6.615 -0.143 -3.144 1.00 20.53 C ATOM 778 CD2 LEU A 454 5.735 -1.030 -0.994 1.00 21.09 C ATOM 779 H LEU A 454 2.063 -0.148 -3.862 1.00 0.00 H ATOM 780 N LYS A 455 1.078 1.802 -2.016 1.00 16.46 N ATOM 781 CA LYS A 455 0.289 2.905 -1.458 1.00 18.87 C ATOM 782 C LYS A 455 -0.282 2.501 -0.093 1.00 22.34 C ATOM 783 O LYS A 455 -0.177 3.229 0.912 1.00 23.09 O ATOM 784 CB LYS A 455 -0.798 3.363 -2.427 1.00 23.30 C ATOM 785 CG LYS A 455 -1.612 4.538 -1.922 1.00 32.01 C ATOM 786 CD LYS A 455 -2.547 5.121 -2.959 1.00 42.38 C ATOM 787 CE LYS A 455 -3.235 6.398 -2.457 1.00 71.17 C ATOM 788 NZ LYS A 455 -4.335 6.805 -3.379 1.00 80.74 N ATOM 789 HZ1 LYS A 455 -3.944 6.984 -4.326 1.00 0.00 H ATOM 790 HZ2 LYS A 455 -5.040 6.043 -3.433 1.00 0.00 H ATOM 791 HZ3 LYS A 455 -4.785 7.671 -3.019 1.00 0.00 H ATOM 792 H LYS A 455 0.802 1.362 -2.917 1.00 0.00 H ATOM 793 N SER A 456 -0.834 1.294 -0.081 1.00 20.76 N ATOM 794 CA SER A 456 -1.359 0.689 1.119 1.00 22.46 C ATOM 795 C SER A 456 -0.928 -0.785 1.146 1.00 18.93 C ATOM 796 O SER A 456 -1.592 -1.659 0.550 1.00 19.82 O ATOM 797 CB SER A 456 -2.873 0.829 1.133 1.00 31.62 C ATOM 798 OG SER A 456 -3.342 0.229 2.296 1.00 35.19 O ATOM 799 HG SER A 456 -3.084 -0.727 2.300 1.00 0.00 H ATOM 800 H SER A 456 -0.890 0.763 -0.973 1.00 0.00 H ATOM 801 N PRO A 457 0.243 -1.072 1.758 1.00 16.88 N ATOM 802 CA PRO A 457 0.846 -2.398 1.588 1.00 16.39 C ATOM 803 C PRO A 457 -0.042 -3.532 2.073 1.00 18.52 C ATOM 804 O PRO A 457 -0.822 -3.384 3.022 1.00 20.84 O ATOM 805 CB PRO A 457 2.143 -2.309 2.392 1.00 19.37 C ATOM 806 CG PRO A 457 2.508 -0.839 2.337 1.00 19.60 C ATOM 807 CD PRO A 457 1.171 -0.147 2.443 1.00 20.11 C ATOM 808 N ILE A 458 0.106 -4.648 1.360 1.00 17.84 N ATOM 809 CA ILE A 458 -0.675 -5.859 1.581 1.00 16.80 C ATOM 810 C ILE A 458 0.050 -6.632 2.659 1.00 18.51 C ATOM 811 O ILE A 458 1.213 -7.006 2.472 1.00 19.71 O ATOM 812 CB ILE A 458 -0.778 -6.678 0.265 1.00 18.02 C ATOM 813 CG1 ILE A 458 -1.483 -5.836 -0.807 1.00 19.48 C ATOM 814 CG2 ILE A 458 -1.470 -8.028 0.484 1.00 21.41 C ATOM 815 CD1 ILE A 458 -1.300 -6.335 -2.207 1.00 22.64 C ATOM 816 H ILE A 458 0.819 -4.656 0.603 1.00 0.00 H ATOM 817 N ALA A 459 -0.599 -6.752 3.817 1.00 20.51 N ATOM 818 CA ALA A 459 0.031 -7.207 5.043 1.00 20.35 C ATOM 819 C ALA A 459 -0.669 -8.463 5.525 1.00 21.77 C ATOM 820 O ALA A 459 -1.869 -8.612 5.328 1.00 20.16 O ATOM 821 CB ALA A 459 -0.036 -6.127 6.112 1.00 25.84 C ATOM 822 H ALA A 459 -1.609 -6.507 3.844 1.00 0.00 H ATOM 823 N PRO A 460 0.097 -9.411 6.083 1.00 24.09 N ATOM 824 CA PRO A 460 -0.540 -10.590 6.659 1.00 21.57 C ATOM 825 C PRO A 460 -1.364 -10.243 7.903 1.00 27.07 C ATOM 826 O PRO A 460 -1.062 -9.249 8.567 1.00 29.54 O ATOM 827 CB PRO A 460 0.651 -11.504 6.970 1.00 27.49 C ATOM 828 CG PRO A 460 1.741 -10.540 7.306 1.00 30.81 C ATOM 829 CD PRO A 460 1.529 -9.330 6.441 1.00 28.15 C ATOM 830 N CYS A 461 -2.465 -10.984 8.078 1.00 26.83 N ATOM 831 CA CYS A 461 -3.460 -10.796 9.138 1.00 35.19 C ATOM 832 C CYS A 461 -3.034 -11.481 10.418 1.00 27.64 C ATOM 833 O CYS A 461 -3.680 -11.279 11.448 1.00 50.75 O ATOM 834 CB CYS A 461 -4.827 -11.346 8.716 1.00 74.21 C ATOM 835 SG CYS A 461 -5.420 -10.741 7.111 1.00 66.94 S ATOM 836 H CYS A 461 -2.628 -11.759 7.404 1.00 0.00 H ATOM 837 N SER A 462 -1.868 -12.123 10.394 1.00 45.91 N ATOM 838 CA SER A 462 -1.215 -12.632 11.613 1.00 30.23 C ATOM 839 C SER A 462 0.283 -12.281 11.510 1.00 33.26 C ATOM 840 O SER A 462 0.854 -12.412 10.443 1.00 32.86 O ATOM 841 CB SER A 462 -1.434 -14.159 11.697 1.00 44.49 C ATOM 842 OG SER A 462 -0.760 -14.779 12.792 1.00 52.26 O ATOM 843 HG SER A 462 -1.084 -14.388 13.642 1.00 0.00 H ATOM 844 H SER A 462 -1.399 -12.271 9.478 1.00 0.00 H ATOM 845 N LEU A 463 0.954 -11.953 12.606 1.00 40.24 N ATOM 846 CA LEU A 463 2.402 -11.662 12.564 1.00 53.43 C ATOM 847 C LEU A 463 3.262 -12.939 12.394 1.00 45.63 C ATOM 848 O LEU A 463 4.422 -12.878 11.936 1.00 46.10 O ATOM 849 CB LEU A 463 2.819 -10.891 13.831 1.00 74.15 C ATOM 850 CG LEU A 463 3.527 -9.528 13.734 1.00 93.16 C ATOM 851 CD1 LEU A 463 5.019 -9.704 13.483 1.00106.21 C ATOM 852 CD2 LEU A 463 2.908 -8.581 12.709 1.00 84.04 C ATOM 853 H LEU A 463 0.450 -11.899 13.514 1.00 0.00 H ATOM 854 N ASP A 464 2.678 -14.088 12.751 1.00 55.91 N ATOM 855 CA ASP A 464 3.278 -15.419 12.526 1.00 47.24 C ATOM 856 C ASP A 464 3.384 -15.753 11.014 1.00 38.64 C ATOM 857 O ASP A 464 4.128 -16.644 10.620 1.00 50.29 O ATOM 858 CB ASP A 464 2.435 -16.542 13.185 1.00 72.45 C ATOM 859 CG ASP A 464 2.302 -16.410 14.694 1.00 82.80 C ATOM 860 OD1 ASP A 464 3.280 -16.038 15.376 1.00 96.82 O ATOM 861 OD2 ASP A 464 1.230 -16.785 15.216 1.00 74.92 O ATOM 862 H ASP A 464 1.748 -14.042 13.214 1.00 0.00 H ATOM 863 N LYS A 465 2.605 -15.064 10.181 1.00 25.77 N ATOM 864 CA LYS A 465 2.411 -15.465 8.799 1.00 20.86 C ATOM 865 C LYS A 465 3.091 -14.522 7.784 1.00 19.87 C ATOM 866 O LYS A 465 3.553 -13.416 8.135 1.00 22.11 O ATOM 867 CB LYS A 465 0.898 -15.637 8.496 1.00 21.22 C ATOM 868 CG LYS A 465 0.208 -16.691 9.362 1.00 24.13 C ATOM 869 CD LYS A 465 -1.290 -16.804 9.087 1.00 29.44 C ATOM 870 CE LYS A 465 -1.597 -17.645 7.863 1.00 24.49 C ATOM 871 NZ LYS A 465 -3.068 -17.661 7.532 1.00 29.55 N ATOM 872 HZ1 LYS A 465 -3.599 -18.055 8.335 1.00 0.00 H ATOM 873 HZ2 LYS A 465 -3.391 -16.690 7.345 1.00 0.00 H ATOM 874 HZ3 LYS A 465 -3.226 -18.249 6.689 1.00 0.00 H ATOM 875 H LYS A 465 2.121 -14.213 10.531 1.00 0.00 H ATOM 876 N ARG A 466 3.239 -15.013 6.555 1.00 17.20 N ATOM 877 CA ARG A 466 4.017 -14.320 5.506 1.00 16.66 C ATOM 878 C ARG A 466 3.126 -13.760 4.414 1.00 13.00 C ATOM 879 O ARG A 466 2.052 -14.341 4.119 1.00 14.61 O ATOM 880 CB ARG A 466 4.986 -15.324 4.831 1.00 17.40 C ATOM 881 CG ARG A 466 6.062 -15.907 5.714 1.00 18.88 C ATOM 882 CD ARG A 466 6.910 -16.890 4.943 1.00 18.26 C ATOM 883 NE ARG A 466 7.859 -17.627 5.775 1.00 18.83 N ATOM 884 CZ ARG A 466 9.145 -17.785 5.514 1.00 15.49 C ATOM 885 NH1 ARG A 466 9.703 -17.139 4.524 1.00 15.35 N ATOM 886 NH2 ARG A 466 9.908 -18.527 6.341 1.00 23.19 N ATOM 887 HE ARG A 466 7.492 -18.063 6.645 1.00 0.00 H ATOM 888 HH12 ARG A 466 10.715 -17.268 4.324 1.00 0.00 H ATOM 889 HH11 ARG A 466 9.135 -16.496 3.936 1.00 0.00 H ATOM 890 HH22 ARG A 466 10.920 -18.654 6.140 1.00 0.00 H ATOM 891 HH21 ARG A 466 9.484 -18.972 7.180 1.00 0.00 H ATOM 892 H ARG A 466 2.789 -15.921 6.324 1.00 0.00 H ATOM 893 N VAL A 467 3.635 -12.701 3.785 1.00 13.48 N ATOM 894 CA VAL A 467 3.186 -12.283 2.474 1.00 13.71 C ATOM 895 C VAL A 467 4.324 -12.518 1.484 1.00 11.46 C ATOM 896 O VAL A 467 5.492 -12.258 1.803 1.00 12.29 O ATOM 897 CB VAL A 467 2.816 -10.784 2.496 1.00 14.88 C ATOM 898 CG1 VAL A 467 2.401 -10.270 1.127 1.00 15.46 C ATOM 899 CG2 VAL A 467 1.698 -10.564 3.490 1.00 24.08 C ATOM 900 H VAL A 467 4.384 -12.153 4.255 1.00 0.00 H ATOM 901 N ILE A 468 3.972 -13.050 0.324 1.00 10.17 N ATOM 902 CA ILE A 468 4.932 -13.375 -0.732 1.00 10.81 C ATOM 903 C ILE A 468 4.447 -12.715 -2.018 1.00 10.27 C ATOM 904 O ILE A 468 3.235 -12.754 -2.296 1.00 11.74 O ATOM 905 CB ILE A 468 5.052 -14.905 -0.926 1.00 10.59 C ATOM 906 CG1 ILE A 468 5.730 -15.487 0.309 1.00 11.74 C ATOM 907 CG2 ILE A 468 5.852 -15.238 -2.184 1.00 12.80 C ATOM 908 CD1 ILE A 468 5.798 -16.976 0.315 1.00 13.60 C ATOM 909 H ILE A 468 2.965 -13.246 0.155 1.00 0.00 H ATOM 910 N LEU A 469 5.367 -12.181 -2.810 1.00 9.26 N ATOM 911 CA LEU A 469 5.033 -11.710 -4.166 1.00 10.13 C ATOM 912 C LEU A 469 5.720 -12.609 -5.181 1.00 9.31 C ATOM 913 O LEU A 469 6.860 -13.021 -4.978 1.00 10.27 O ATOM 914 CB LEU A 469 5.507 -10.277 -4.447 1.00 9.27 C ATOM 915 CG LEU A 469 5.036 -9.196 -3.487 1.00 10.59 C ATOM 916 CD1 LEU A 469 5.502 -7.835 -3.990 1.00 11.62 C ATOM 917 CD2 LEU A 469 3.523 -9.197 -3.350 1.00 12.96 C ATOM 918 H LEU A 469 6.345 -12.093 -2.467 1.00 0.00 H ATOM 919 N ILE A 470 4.993 -12.919 -6.263 1.00 8.59 N ATOM 920 CA ILE A 470 5.572 -13.676 -7.376 1.00 9.28 C ATOM 921 C ILE A 470 5.359 -12.838 -8.628 1.00 9.32 C ATOM 922 O ILE A 470 4.215 -12.486 -8.948 1.00 11.44 O ATOM 923 CB ILE A 470 4.847 -15.012 -7.604 1.00 10.78 C ATOM 924 CG1 ILE A 470 4.631 -15.822 -6.301 1.00 18.15 C ATOM 925 CG2 ILE A 470 5.543 -15.782 -8.705 1.00 12.06 C ATOM 926 CD1 ILE A 470 5.913 -16.269 -5.722 1.00 27.81 C ATOM 927 H ILE A 470 3.999 -12.617 -6.314 1.00 0.00 H ATOM 928 N PHE A 471 6.459 -12.497 -9.292 1.00 8.96 N ATOM 929 CA PHE A 471 6.391 -11.764 -10.539 1.00 8.76 C ATOM 930 C PHE A 471 6.595 -12.706 -11.708 1.00 8.41 C ATOM 931 O PHE A 471 7.430 -13.614 -11.642 1.00 10.51 O ATOM 932 CB PHE A 471 7.476 -10.673 -10.598 1.00 9.49 C ATOM 933 CG PHE A 471 7.353 -9.619 -9.529 1.00 8.75 C ATOM 934 CD1 PHE A 471 7.886 -9.819 -8.279 1.00 10.29 C ATOM 935 CD2 PHE A 471 6.677 -8.437 -9.780 1.00 10.05 C ATOM 936 CE1 PHE A 471 7.693 -8.887 -7.270 1.00 11.36 C ATOM 937 CE2 PHE A 471 6.552 -7.482 -8.798 1.00 11.11 C ATOM 938 CZ PHE A 471 7.055 -7.697 -7.549 1.00 11.53 C ATOM 939 H PHE A 471 7.388 -12.762 -8.908 1.00 0.00 H ATOM 940 N HIS A 472 5.888 -12.443 -12.803 1.00 9.20 N ATOM 941 CA HIS A 472 6.199 -13.171 -14.023 1.00 9.45 C ATOM 942 C HIS A 472 5.910 -12.301 -15.230 1.00 10.48 C ATOM 943 O HIS A 472 5.130 -11.317 -15.171 1.00 10.33 O ATOM 944 CB HIS A 472 5.420 -14.509 -14.068 1.00 10.53 C ATOM 945 CG HIS A 472 3.990 -14.366 -14.507 1.00 10.21 C ATOM 946 ND1 HIS A 472 3.605 -14.284 -15.831 1.00 10.55 N ATOM 947 CD2 HIS A 472 2.845 -14.380 -13.788 1.00 10.79 C ATOM 948 CE1 HIS A 472 2.276 -14.245 -15.900 1.00 11.15 C ATOM 949 NE2 HIS A 472 1.795 -14.290 -14.668 1.00 11.12 N ATOM 950 H HIS A 472 5.129 -11.732 -12.787 1.00 0.00 H ATOM 951 N SER A 473 6.419 -12.771 -16.355 1.00 10.60 N ATOM 952 CA SER A 473 6.030 -12.189 -17.637 1.00 10.07 C ATOM 953 C SER A 473 5.804 -13.339 -18.635 1.00 10.59 C ATOM 954 O SER A 473 5.191 -14.336 -18.229 1.00 10.71 O ATOM 955 CB SER A 473 7.022 -11.091 -18.031 1.00 10.07 C ATOM 956 OG SER A 473 8.381 -11.513 -17.943 1.00 12.08 O ATOM 957 HG SER A 473 8.975 -10.767 -18.208 1.00 0.00 H ATOM 958 H SER A 473 7.099 -13.558 -16.328 1.00 0.00 H ATOM 959 N GLU A 474 6.029 -13.127 -19.921 1.00 10.59 N ATOM 960 CA GLU A 474 5.775 -14.137 -20.930 1.00 10.23 C ATOM 961 C GLU A 474 6.759 -15.281 -20.769 1.00 11.79 C ATOM 962 O GLU A 474 6.343 -16.442 -20.667 1.00 12.50 O ATOM 963 CB GLU A 474 5.779 -13.561 -22.352 1.00 12.16 C ATOM 964 CG GLU A 474 5.428 -14.600 -23.387 1.00 13.17 C ATOM 965 CD GLU A 474 5.315 -14.058 -24.789 1.00 15.39 C ATOM 966 OE1 GLU A 474 5.587 -12.835 -25.002 1.00 16.82 O ATOM 967 OE2 GLU A 474 4.981 -14.871 -25.694 1.00 17.14 O ATOM 968 H GLU A 474 6.401 -12.203 -20.219 1.00 0.00 H ATOM 969 N PHE A 475 8.057 -14.950 -20.764 1.00 11.67 N ATOM 970 CA PHE A 475 9.099 -15.936 -20.529 1.00 13.11 C ATOM 971 C PHE A 475 9.783 -15.709 -19.188 1.00 11.78 C ATOM 972 O PHE A 475 10.689 -16.464 -18.811 1.00 14.04 O ATOM 973 CB PHE A 475 10.138 -15.838 -21.639 1.00 17.70 C ATOM 974 CG PHE A 475 9.559 -15.957 -23.029 1.00 15.46 C ATOM 975 CD1 PHE A 475 9.143 -17.177 -23.523 1.00 20.84 C ATOM 976 CD2 PHE A 475 9.341 -14.812 -23.785 1.00 20.29 C ATOM 977 CE1 PHE A 475 8.594 -17.264 -24.777 1.00 22.34 C ATOM 978 CE2 PHE A 475 8.746 -14.886 -25.022 1.00 21.76 C ATOM 979 CZ PHE A 475 8.443 -16.122 -25.546 1.00 20.99 C ATOM 980 H PHE A 475 8.327 -13.960 -20.933 1.00 0.00 H ATOM 981 N SER A 476 9.344 -14.666 -18.460 1.00 11.30 N ATOM 982 CA SER A 476 10.032 -14.191 -17.270 1.00 10.89 C ATOM 983 C SER A 476 11.516 -13.921 -17.541 1.00 13.00 C ATOM 984 O SER A 476 12.368 -14.108 -16.664 1.00 15.50 O ATOM 985 CB SER A 476 9.813 -15.115 -16.079 1.00 11.25 C ATOM 986 OG SER A 476 8.482 -14.995 -15.589 1.00 11.02 O ATOM 987 HG SER A 476 8.360 -15.602 -14.817 1.00 0.00 H ATOM 988 H SER A 476 8.476 -14.179 -18.761 1.00 0.00 H ATOM 989 N SER A 477 11.781 -13.396 -18.728 1.00 12.26 N ATOM 990 CA SER A 477 13.119 -13.039 -19.172 1.00 13.12 C ATOM 991 C SER A 477 13.526 -11.648 -18.725 1.00 14.59 C ATOM 992 O SER A 477 14.607 -11.435 -18.173 1.00 19.82 O ATOM 993 CB SER A 477 13.195 -13.157 -20.695 1.00 15.69 C ATOM 994 OG SER A 477 14.463 -12.804 -21.151 1.00 21.27 O ATOM 995 HG SER A 477 14.493 -12.887 -22.137 1.00 0.00 H ATOM 996 H SER A 477 10.987 -13.230 -19.379 1.00 0.00 H ATOM 997 N GLU A 478 12.631 -10.688 -18.987 1.00 13.61 N ATOM 998 CA GLU A 478 12.944 -9.280 -18.824 1.00 14.81 C ATOM 999 C GLU A 478 11.892 -8.526 -18.005 1.00 14.51 C ATOM 1000 O GLU A 478 12.231 -7.906 -16.980 1.00 13.98 O ATOM 1001 CB GLU A 478 13.049 -8.624 -20.193 1.00 23.65 C ATOM 1002 CG GLU A 478 14.136 -9.203 -21.076 1.00 33.18 C ATOM 1003 CD GLU A 478 15.534 -9.106 -20.474 1.00 55.74 C ATOM 1004 OE1 GLU A 478 15.824 -8.064 -19.852 1.00107.89 O ATOM 1005 OE2 GLU A 478 16.355 -10.050 -20.636 1.00 58.03 O ATOM 1006 H GLU A 478 11.683 -10.959 -19.317 1.00 0.00 H ATOM 1007 N ARG A 479 10.633 -8.569 -18.407 1.00 12.52 N ATOM 1008 CA ARG A 479 9.635 -7.694 -17.775 1.00 11.15 C ATOM 1009 C ARG A 479 9.386 -8.075 -16.328 1.00 13.52 C ATOM 1010 O ARG A 479 9.252 -7.177 -15.473 1.00 13.32 O ATOM 1011 CB ARG A 479 8.328 -7.643 -18.571 1.00 12.67 C ATOM 1012 CG ARG A 479 8.454 -6.940 -19.906 1.00 14.51 C ATOM 1013 CD ARG A 479 7.178 -7.005 -20.738 1.00 14.13 C ATOM 1014 NE ARG A 479 6.912 -8.356 -21.218 1.00 12.77 N ATOM 1015 CZ ARG A 479 5.803 -8.689 -21.900 1.00 12.19 C ATOM 1016 NH1 ARG A 479 4.870 -7.762 -22.143 1.00 13.80 N ATOM 1017 NH2 ARG A 479 5.603 -9.944 -22.295 1.00 12.94 N ATOM 1018 HE ARG A 479 7.615 -9.098 -21.023 1.00 0.00 H ATOM 1019 HH12 ARG A 479 4.010 -8.015 -22.670 1.00 0.00 H ATOM 1020 HH11 ARG A 479 5.004 -6.788 -21.805 1.00 0.00 H ATOM 1021 HH22 ARG A 479 4.742 -10.192 -22.822 1.00 0.00 H ATOM 1022 HH21 ARG A 479 6.308 -10.677 -22.076 1.00 0.00 H ATOM 1023 H ARG A 479 10.350 -9.219 -19.167 1.00 0.00 H ATOM 1024 N GLY A 480 9.279 -9.373 -16.042 1.00 11.34 N ATOM 1025 CA GLY A 480 9.042 -9.783 -14.666 1.00 12.18 C ATOM 1026 C GLY A 480 10.197 -9.457 -13.720 1.00 12.28 C ATOM 1027 O GLY A 480 10.005 -8.830 -12.679 1.00 11.95 O ATOM 1028 H GLY A 480 9.364 -10.085 -16.795 1.00 0.00 H ATOM 1029 N PRO A 481 11.439 -9.824 -14.103 1.00 11.01 N ATOM 1030 CA PRO A 481 12.582 -9.430 -13.332 1.00 11.66 C ATOM 1031 C PRO A 481 12.712 -7.925 -13.115 1.00 11.20 C ATOM 1032 O PRO A 481 13.064 -7.474 -12.029 1.00 12.54 O ATOM 1033 CB PRO A 481 13.760 -10.056 -14.107 1.00 12.07 C ATOM 1034 CG PRO A 481 13.158 -11.291 -14.719 1.00 13.02 C ATOM 1035 CD PRO A 481 11.769 -10.876 -15.098 1.00 12.39 C ATOM 1036 N ARG A 482 12.453 -7.142 -14.170 1.00 11.34 N ATOM 1037 CA ARG A 482 12.523 -5.690 -14.070 1.00 11.23 C ATOM 1038 C ARG A 482 11.575 -5.172 -13.000 1.00 9.88 C ATOM 1039 O ARG A 482 11.914 -4.301 -12.185 1.00 12.50 O ATOM 1040 CB ARG A 482 12.234 -5.052 -15.417 1.00 12.17 C ATOM 1041 CG ARG A 482 12.095 -3.540 -15.359 1.00 15.78 C ATOM 1042 CD ARG A 482 11.787 -2.961 -16.722 1.00 19.09 C ATOM 1043 NE ARG A 482 11.498 -1.549 -16.734 1.00 23.82 N ATOM 1044 CZ ARG A 482 10.262 -1.052 -16.650 1.00 23.76 C ATOM 1045 NH1 ARG A 482 10.106 0.230 -16.721 1.00 32.63 N ATOM 1046 NH2 ARG A 482 9.171 -1.820 -16.561 1.00 23.67 N ATOM 1047 HE ARG A 482 12.293 -0.883 -16.812 1.00 0.00 H ATOM 1048 HH12 ARG A 482 9.153 0.642 -16.658 1.00 0.00 H ATOM 1049 HH11 ARG A 482 10.933 0.849 -16.841 1.00 0.00 H ATOM 1050 HH22 ARG A 482 8.230 -1.381 -16.498 1.00 0.00 H ATOM 1051 HH21 ARG A 482 9.263 -2.856 -16.555 1.00 0.00 H ATOM 1052 H ARG A 482 12.197 -7.579 -15.078 1.00 0.00 H ATOM 1053 N MET A 483 10.357 -5.691 -12.993 1.00 11.02 N ATOM 1054 CA MET A 483 9.371 -5.214 -12.036 1.00 11.55 C ATOM 1055 C MET A 483 9.732 -5.591 -10.615 1.00 10.31 C ATOM 1056 O MET A 483 9.545 -4.829 -9.661 1.00 11.58 O ATOM 1057 CB MET A 483 7.979 -5.676 -12.397 1.00 11.73 C ATOM 1058 CG MET A 483 6.880 -4.960 -11.614 1.00 12.57 C ATOM 1059 SD MET A 483 6.770 -3.215 -12.061 1.00 14.36 S ATOM 1060 CE MET A 483 6.134 -3.290 -13.741 1.00 14.36 C ATOM 1061 H MET A 483 10.106 -6.439 -13.671 1.00 0.00 H ATOM 1062 N CYS A 484 10.218 -6.811 -10.452 1.00 10.45 N ATOM 1063 CA CYS A 484 10.660 -7.325 -9.151 1.00 11.05 C ATOM 1064 C CYS A 484 11.739 -6.396 -8.571 1.00 11.41 C ATOM 1065 O CYS A 484 11.670 -5.984 -7.402 1.00 12.07 O ATOM 1066 CB CYS A 484 11.189 -8.729 -9.353 1.00 10.85 C ATOM 1067 SG CYS A 484 11.624 -9.598 -7.830 1.00 12.99 S ATOM 1068 H CYS A 484 10.290 -7.433 -11.283 1.00 0.00 H ATOM 1069 N ARG A 485 12.732 -6.063 -9.379 1.00 12.17 N ATOM 1070 CA ARG A 485 13.787 -5.164 -8.899 1.00 11.99 C ATOM 1071 C ARG A 485 13.244 -3.785 -8.545 1.00 12.04 C ATOM 1072 O ARG A 485 13.663 -3.159 -7.552 1.00 12.41 O ATOM 1073 CB ARG A 485 14.908 -5.051 -9.928 1.00 11.92 C ATOM 1074 CG ARG A 485 15.640 -6.348 -10.205 1.00 14.65 C ATOM 1075 CD ARG A 485 16.870 -6.074 -11.066 1.00 20.06 C ATOM 1076 NE ARG A 485 17.506 -7.297 -11.554 1.00 21.58 N ATOM 1077 CZ ARG A 485 18.325 -8.060 -10.836 1.00 24.31 C ATOM 1078 NH1 ARG A 485 18.623 -7.758 -9.582 1.00 26.83 N ATOM 1079 NH2 ARG A 485 18.893 -9.126 -11.388 1.00 26.18 N ATOM 1080 HE ARG A 485 17.304 -7.591 -12.531 1.00 0.00 H ATOM 1081 HH12 ARG A 485 19.266 -8.369 -9.039 1.00 0.00 H ATOM 1082 HH11 ARG A 485 18.214 -6.910 -9.140 1.00 0.00 H ATOM 1083 HH22 ARG A 485 19.534 -9.723 -10.827 1.00 0.00 H ATOM 1084 HH21 ARG A 485 18.697 -9.364 -12.381 1.00 0.00 H ATOM 1085 H ARG A 485 12.765 -6.436 -10.349 1.00 0.00 H ATOM 1086 N PHE A 486 12.345 -3.285 -9.401 1.00 11.06 N ATOM 1087 CA PHE A 486 11.771 -1.969 -9.165 1.00 11.77 C ATOM 1088 C PHE A 486 11.038 -1.909 -7.827 1.00 10.59 C ATOM 1089 O PHE A 486 11.192 -0.962 -7.024 1.00 11.14 O ATOM 1090 CB PHE A 486 10.849 -1.595 -10.319 1.00 13.85 C ATOM 1091 CG PHE A 486 9.995 -0.423 -10.035 1.00 12.72 C ATOM 1092 CD1 PHE A 486 10.509 0.855 -10.055 1.00 16.09 C ATOM 1093 CD2 PHE A 486 8.666 -0.603 -9.716 1.00 13.91 C ATOM 1094 CE1 PHE A 486 9.693 1.955 -9.774 1.00 16.68 C ATOM 1095 CE2 PHE A 486 7.867 0.474 -9.414 1.00 15.61 C ATOM 1096 CZ PHE A 486 8.369 1.749 -9.456 1.00 16.07 C ATOM 1097 H PHE A 486 12.057 -3.837 -10.234 1.00 0.00 H ATOM 1098 N ILE A 487 10.215 -2.915 -7.573 1.00 10.74 N ATOM 1099 CA ILE A 487 9.483 -2.934 -6.306 1.00 10.91 C ATOM 1100 C ILE A 487 10.451 -3.002 -5.099 1.00 10.53 C ATOM 1101 O ILE A 487 10.255 -2.323 -4.086 1.00 11.37 O ATOM 1102 CB ILE A 487 8.440 -4.057 -6.296 1.00 11.60 C ATOM 1103 CG1 ILE A 487 7.308 -3.744 -7.295 1.00 12.56 C ATOM 1104 CG2 ILE A 487 7.889 -4.311 -4.900 1.00 12.59 C ATOM 1105 CD1 ILE A 487 6.503 -2.476 -7.056 1.00 13.57 C ATOM 1106 H ILE A 487 10.091 -3.681 -8.265 1.00 0.00 H ATOM 1107 N ARG A 488 11.500 -3.804 -5.200 1.00 10.31 N ATOM 1108 CA ARG A 488 12.485 -3.828 -4.117 1.00 10.49 C ATOM 1109 C ARG A 488 13.116 -2.470 -3.908 1.00 10.98 C ATOM 1110 O ARG A 488 13.276 -2.048 -2.763 1.00 11.58 O ATOM 1111 CB ARG A 488 13.539 -4.901 -4.350 1.00 11.31 C ATOM 1112 CG ARG A 488 14.633 -4.945 -3.294 1.00 11.56 C ATOM 1113 CD ARG A 488 14.142 -5.073 -1.871 1.00 11.95 C ATOM 1114 NE ARG A 488 13.239 -6.201 -1.664 1.00 10.55 N ATOM 1115 CZ ARG A 488 13.584 -7.463 -1.419 1.00 10.84 C ATOM 1116 NH1 ARG A 488 14.856 -7.813 -1.353 1.00 13.22 N ATOM 1117 NH2 ARG A 488 12.624 -8.364 -1.216 1.00 12.95 N ATOM 1118 HE ARG A 488 12.220 -5.998 -1.713 1.00 0.00 H ATOM 1119 HH12 ARG A 488 15.114 -8.802 -1.161 1.00 0.00 H ATOM 1120 HH11 ARG A 488 15.600 -7.100 -1.493 1.00 0.00 H ATOM 1121 HH22 ARG A 488 12.873 -9.355 -1.023 1.00 0.00 H ATOM 1122 HH21 ARG A 488 11.625 -8.076 -1.250 1.00 0.00 H ATOM 1123 H ARG A 488 11.622 -4.409 -6.037 1.00 0.00 H ATOM 1124 N GLU A 489 13.473 -1.774 -4.989 1.00 11.66 N ATOM 1125 CA GLU A 489 14.071 -0.447 -4.823 1.00 12.41 C ATOM 1126 C GLU A 489 13.092 0.508 -4.124 1.00 12.47 C ATOM 1127 O GLU A 489 13.486 1.266 -3.230 1.00 13.67 O ATOM 1128 CB GLU A 489 14.490 0.137 -6.169 1.00 15.09 C ATOM 1129 CG GLU A 489 15.648 -0.595 -6.817 1.00 19.17 C ATOM 1130 CD GLU A 489 15.732 -0.397 -8.331 1.00 32.65 C ATOM 1131 OE1 GLU A 489 14.901 0.379 -8.884 1.00 28.93 O ATOM 1132 OE2 GLU A 489 16.617 -1.041 -8.961 1.00 31.01 O ATOM 1133 H GLU A 489 13.328 -2.170 -5.940 1.00 0.00 H ATOM 1134 N ARG A 490 11.814 0.460 -4.503 1.00 11.63 N ATOM 1135 CA ARG A 490 10.804 1.314 -3.892 1.00 11.80 C ATOM 1136 C ARG A 490 10.576 0.957 -2.426 1.00 12.24 C ATOM 1137 O ARG A 490 10.388 1.832 -1.578 1.00 14.97 O ATOM 1138 CB ARG A 490 9.484 1.217 -4.662 1.00 14.55 C ATOM 1139 CG ARG A 490 9.504 1.806 -6.067 1.00 13.50 C ATOM 1140 CD ARG A 490 9.982 3.255 -6.095 1.00 19.04 C ATOM 1141 NE ARG A 490 11.432 3.394 -6.264 1.00 20.86 N ATOM 1142 CZ ARG A 490 12.145 4.421 -5.806 1.00 25.92 C ATOM 1143 NH1 ARG A 490 11.547 5.395 -5.134 1.00 29.24 N ATOM 1144 NH2 ARG A 490 13.448 4.496 -6.050 1.00 24.78 N ATOM 1145 HE ARG A 490 11.936 2.641 -6.775 1.00 0.00 H ATOM 1146 HH12 ARG A 490 12.103 6.197 -4.776 1.00 0.00 H ATOM 1147 HH11 ARG A 490 10.522 5.357 -4.965 1.00 0.00 H ATOM 1148 HH22 ARG A 490 13.999 5.301 -5.689 1.00 0.00 H ATOM 1149 HH21 ARG A 490 13.918 3.750 -6.602 1.00 0.00 H ATOM 1150 H ARG A 490 11.532 -0.203 -5.253 1.00 0.00 H ATOM 1151 N ASP A 491 10.514 -0.339 -2.156 1.00 11.12 N ATOM 1152 CA ASP A 491 10.314 -0.848 -0.798 1.00 11.64 C ATOM 1153 C ASP A 491 11.457 -0.420 0.133 1.00 12.55 C ATOM 1154 O ASP A 491 11.255 0.078 1.228 1.00 12.36 O ATOM 1155 CB ASP A 491 10.164 -2.366 -0.901 1.00 11.82 C ATOM 1156 CG ASP A 491 9.504 -3.041 0.303 1.00 11.07 C ATOM 1157 OD1 ASP A 491 9.112 -2.352 1.277 1.00 12.81 O ATOM 1158 OD2 ASP A 491 9.348 -4.309 0.202 1.00 11.38 O ATOM 1159 H ASP A 491 10.611 -1.019 -2.937 1.00 0.00 H ATOM 1160 N ARG A 492 12.687 -0.520 -0.341 1.00 12.10 N ATOM 1161 CA ARG A 492 13.823 0.014 0.422 1.00 13.48 C ATOM 1162 C ARG A 492 13.695 1.509 0.675 1.00 12.63 C ATOM 1163 O ARG A 492 13.955 1.980 1.779 1.00 15.52 O ATOM 1164 CB ARG A 492 15.124 -0.260 -0.321 1.00 14.25 C ATOM 1165 CG ARG A 492 15.562 -1.722 -0.340 1.00 13.63 C ATOM 1166 CD ARG A 492 16.107 -2.212 1.010 1.00 11.73 C ATOM 1167 NE ARG A 492 16.607 -3.579 0.889 1.00 11.79 N ATOM 1168 CZ ARG A 492 16.611 -4.493 1.866 1.00 11.08 C ATOM 1169 NH1 ARG A 492 16.132 -4.252 3.068 1.00 12.17 N ATOM 1170 NH2 ARG A 492 17.048 -5.718 1.600 1.00 13.87 N ATOM 1171 HE ARG A 492 16.992 -3.866 -0.034 1.00 0.00 H ATOM 1172 HH12 ARG A 492 16.157 -4.994 3.796 1.00 0.00 H ATOM 1173 HH11 ARG A 492 15.729 -3.319 3.290 1.00 0.00 H ATOM 1174 HH22 ARG A 492 17.058 -6.440 2.348 1.00 0.00 H ATOM 1175 HH21 ARG A 492 17.381 -5.955 0.644 1.00 0.00 H ATOM 1176 H ARG A 492 12.851 -0.979 -1.259 1.00 0.00 H ATOM 1177 N ALA A 493 13.227 2.238 -0.335 1.00 13.91 N ATOM 1178 CA ALA A 493 13.202 3.695 -0.249 1.00 16.19 C ATOM 1179 C ALA A 493 12.214 4.185 0.807 1.00 18.80 C ATOM 1180 O ALA A 493 12.451 5.235 1.413 1.00 23.93 O ATOM 1181 CB ALA A 493 12.906 4.324 -1.619 1.00 17.96 C ATOM 1182 H ALA A 493 12.876 1.766 -1.193 1.00 0.00 H ATOM 1183 N VAL A 494 11.118 3.458 1.000 1.00 15.81 N ATOM 1184 CA VAL A 494 10.063 3.906 1.909 1.00 17.26 C ATOM 1185 C VAL A 494 10.163 3.299 3.307 1.00 15.85 C ATOM 1186 O VAL A 494 9.326 3.558 4.148 1.00 25.42 O ATOM 1187 CB VAL A 494 8.643 3.685 1.323 1.00 19.26 C ATOM 1188 CG1 VAL A 494 8.441 4.461 0.009 1.00 24.91 C ATOM 1189 CG2 VAL A 494 8.290 2.226 1.163 1.00 17.47 C ATOM 1190 H VAL A 494 11.009 2.555 0.496 1.00 0.00 H ATOM 1191 N ASN A 495 11.197 2.493 3.566 1.00 14.51 N ATOM 1192 CA ASN A 495 11.418 1.866 4.886 1.00 13.55 C ATOM 1193 C ASN A 495 12.717 2.292 5.553 1.00 14.57 C ATOM 1194 O ASN A 495 13.652 2.775 4.887 1.00 16.63 O ATOM 1195 CB ASN A 495 11.471 0.345 4.713 1.00 14.20 C ATOM 1196 CG ASN A 495 10.104 -0.285 4.702 1.00 15.73 C ATOM 1197 OD1 ASN A 495 9.492 -0.424 5.759 1.00 20.81 O ATOM 1198 ND2 ASN A 495 9.594 -0.634 3.526 1.00 13.60 N ATOM 1199 HD22 ASN A 495 10.149 -0.498 2.657 1.00 0.00 H ATOM 1200 HD21 ASN A 495 8.639 -1.044 3.474 1.00 0.00 H ATOM 1201 H ASN A 495 11.877 2.298 2.804 1.00 0.00 H ATOM 1202 N ASP A 496 12.775 2.089 6.865 1.00 14.96 N ATOM 1203 CA ASP A 496 14.024 2.155 7.600 1.00 15.45 C ATOM 1204 C ASP A 496 14.764 0.829 7.492 1.00 14.90 C ATOM 1205 O ASP A 496 14.246 -0.225 7.863 1.00 14.64 O ATOM 1206 CB ASP A 496 13.729 2.410 9.076 1.00 16.06 C ATOM 1207 CG ASP A 496 13.028 3.736 9.301 1.00 18.91 C ATOM 1208 OD1 ASP A 496 13.485 4.780 8.799 1.00 24.44 O ATOM 1209 OD2 ASP A 496 12.007 3.750 10.003 1.00 24.26 O ATOM 1210 H ASP A 496 11.898 1.876 7.381 1.00 0.00 H ATOM 1211 N TYR A 497 15.954 0.883 6.914 1.00 13.69 N ATOM 1212 CA TYR A 497 16.731 -0.329 6.668 1.00 12.01 C ATOM 1213 C TYR A 497 16.899 -1.144 7.957 1.00 12.31 C ATOM 1214 O TYR A 497 17.180 -0.568 9.014 1.00 13.73 O ATOM 1215 CB TYR A 497 18.078 0.058 6.103 1.00 14.17 C ATOM 1216 CG TYR A 497 18.981 -1.100 5.768 1.00 12.84 C ATOM 1217 CD1 TYR A 497 18.907 -1.734 4.557 1.00 14.20 C ATOM 1218 CD2 TYR A 497 19.870 -1.612 6.708 1.00 13.19 C ATOM 1219 CE1 TYR A 497 19.711 -2.828 4.262 1.00 13.50 C ATOM 1220 CE2 TYR A 497 20.718 -2.654 6.394 1.00 13.71 C ATOM 1221 CZ TYR A 497 20.668 -3.258 5.183 1.00 14.42 C ATOM 1222 OH TYR A 497 21.488 -4.314 4.851 1.00 17.52 O ATOM 1223 HH TYR A 497 21.291 -4.605 3.926 1.00 0.00 H ATOM 1224 H TYR A 497 16.342 1.805 6.630 1.00 0.00 H ATOM 1225 N PRO A 498 16.705 -2.473 7.923 1.00 10.79 N ATOM 1226 CA PRO A 498 16.491 -3.324 6.729 1.00 11.24 C ATOM 1227 C PRO A 498 15.028 -3.752 6.527 1.00 11.40 C ATOM 1228 O PRO A 498 14.774 -4.743 5.830 1.00 11.68 O ATOM 1229 CB PRO A 498 17.345 -4.536 7.055 1.00 12.13 C ATOM 1230 CG PRO A 498 17.132 -4.701 8.536 1.00 13.92 C ATOM 1231 CD PRO A 498 17.116 -3.289 9.085 1.00 12.82 C ATOM 1232 N SER A 499 14.079 -3.052 7.145 1.00 11.88 N ATOM 1233 CA SER A 499 12.681 -3.455 7.064 1.00 12.05 C ATOM 1234 C SER A 499 12.138 -3.348 5.646 1.00 10.53 C ATOM 1235 O SER A 499 12.527 -2.456 4.871 1.00 11.65 O ATOM 1236 CB SER A 499 11.856 -2.540 7.969 1.00 13.64 C ATOM 1237 OG SER A 499 12.216 -2.680 9.328 1.00 14.61 O ATOM 1238 HG SER A 499 11.661 -2.073 9.879 1.00 0.00 H ATOM 1239 H SER A 499 14.339 -2.207 7.693 1.00 0.00 H ATOM 1240 N LEU A 500 11.174 -4.202 5.314 1.00 11.48 N ATOM 1241 CA LEU A 500 10.522 -4.194 4.014 1.00 11.39 C ATOM 1242 C LEU A 500 9.073 -4.616 4.154 1.00 12.04 C ATOM 1243 O LEU A 500 8.740 -5.502 4.980 1.00 12.58 O ATOM 1244 CB LEU A 500 11.184 -5.221 3.069 1.00 11.54 C ATOM 1245 CG LEU A 500 12.631 -4.936 2.607 1.00 11.30 C ATOM 1246 CD1 LEU A 500 13.193 -6.151 1.904 1.00 10.58 C ATOM 1247 CD2 LEU A 500 12.671 -3.730 1.687 1.00 11.44 C ATOM 1248 H LEU A 500 10.873 -4.908 6.016 1.00 0.00 H ATOM 1249 N TYR A 501 8.214 -4.045 3.316 1.00 11.82 N ATOM 1250 CA TYR A 501 6.858 -4.589 3.205 1.00 11.61 C ATOM 1251 C TYR A 501 6.829 -5.953 2.488 1.00 11.31 C ATOM 1252 O TYR A 501 5.981 -6.814 2.837 1.00 12.83 O ATOM 1253 CB TYR A 501 5.967 -3.617 2.449 1.00 13.08 C ATOM 1254 CG TYR A 501 5.745 -2.341 3.221 1.00 13.44 C ATOM 1255 CD1 TYR A 501 5.167 -2.379 4.448 1.00 19.90 C ATOM 1256 CD2 TYR A 501 6.292 -1.152 2.815 1.00 16.21 C ATOM 1257 CE1 TYR A 501 4.963 -1.241 5.206 1.00 21.87 C ATOM 1258 CE2 TYR A 501 6.098 0.023 3.534 1.00 18.65 C ATOM 1259 CZ TYR A 501 5.420 -0.016 4.736 1.00 19.49 C ATOM 1260 OH TYR A 501 5.226 1.137 5.471 1.00 25.99 O ATOM 1261 HH TYR A 501 6.104 1.527 5.710 1.00 0.00 H ATOM 1262 H TYR A 501 8.500 -3.223 2.747 1.00 0.00 H ATOM 1263 N TYR A 502 7.747 -6.153 1.536 1.00 10.21 N ATOM 1264 CA TYR A 502 7.747 -7.349 0.704 1.00 9.77 C ATOM 1265 C TYR A 502 9.146 -7.986 0.672 1.00 9.30 C ATOM 1266 O TYR A 502 9.879 -7.919 -0.310 1.00 10.25 O ATOM 1267 CB TYR A 502 7.255 -7.052 -0.704 1.00 10.56 C ATOM 1268 CG TYR A 502 5.870 -6.474 -0.734 1.00 10.24 C ATOM 1269 CD1 TYR A 502 4.773 -7.200 -0.311 1.00 10.84 C ATOM 1270 CD2 TYR A 502 5.661 -5.143 -1.083 1.00 10.91 C ATOM 1271 CE1 TYR A 502 3.496 -6.654 -0.340 1.00 11.00 C ATOM 1272 CE2 TYR A 502 4.401 -4.610 -1.095 1.00 11.00 C ATOM 1273 CZ TYR A 502 3.303 -5.376 -0.781 1.00 11.13 C ATOM 1274 OH TYR A 502 2.026 -4.851 -0.826 1.00 13.05 O ATOM 1275 HH TYR A 502 1.831 -4.538 -1.745 1.00 0.00 H ATOM 1276 H TYR A 502 8.483 -5.433 1.385 1.00 0.00 H ATOM 1277 N PRO A 503 9.541 -8.565 1.814 1.00 10.72 N ATOM 1278 CA PRO A 503 10.890 -9.124 1.909 1.00 10.30 C ATOM 1279 C PRO A 503 11.126 -10.376 1.060 1.00 9.81 C ATOM 1280 O PRO A 503 12.295 -10.751 0.871 1.00 10.91 O ATOM 1281 CB PRO A 503 11.022 -9.450 3.383 1.00 10.88 C ATOM 1282 CG PRO A 503 9.615 -9.742 3.820 1.00 11.23 C ATOM 1283 CD PRO A 503 8.826 -8.692 3.082 1.00 10.96 C ATOM 1284 N GLU A 504 10.039 -10.999 0.613 1.00 9.49 N ATOM 1285 CA GLU A 504 10.124 -12.305 -0.030 1.00 10.08 C ATOM 1286 C GLU A 504 9.395 -12.263 -1.374 1.00 10.05 C ATOM 1287 O GLU A 504 8.176 -12.218 -1.431 1.00 10.38 O ATOM 1288 CB GLU A 504 9.532 -13.352 0.913 1.00 9.51 C ATOM 1289 CG GLU A 504 9.704 -14.791 0.402 1.00 10.15 C ATOM 1290 CD GLU A 504 9.322 -15.855 1.418 1.00 12.24 C ATOM 1291 OE1 GLU A 504 8.835 -15.476 2.499 1.00 13.72 O ATOM 1292 OE2 GLU A 504 9.540 -17.066 1.123 1.00 12.49 O ATOM 1293 H GLU A 504 9.110 -10.545 0.724 1.00 0.00 H ATOM 1294 N MET A 505 10.180 -12.235 -2.439 1.00 9.81 N ATOM 1295 CA MET A 505 9.685 -12.090 -3.794 1.00 10.18 C ATOM 1296 C MET A 505 10.402 -13.084 -4.673 1.00 10.18 C ATOM 1297 O MET A 505 11.600 -13.304 -4.511 1.00 12.29 O ATOM 1298 CB MET A 505 9.908 -10.653 -4.295 1.00 10.65 C ATOM 1299 CG MET A 505 9.415 -9.604 -3.310 1.00 9.85 C ATOM 1300 SD MET A 505 9.265 -7.930 -3.974 1.00 12.31 S ATOM 1301 CE MET A 505 10.940 -7.681 -4.517 1.00 13.47 C ATOM 1302 H MET A 505 11.207 -12.322 -2.296 1.00 0.00 H ATOM 1303 N TYR A 506 9.633 -13.673 -5.584 1.00 8.72 N ATOM 1304 CA TYR A 506 10.122 -14.660 -6.511 1.00 8.52 C ATOM 1305 C TYR A 506 9.762 -14.312 -7.949 1.00 8.87 C ATOM 1306 O TYR A 506 8.797 -13.584 -8.188 1.00 10.05 O ATOM 1307 CB TYR A 506 9.521 -16.045 -6.219 1.00 10.03 C ATOM 1308 CG TYR A 506 9.794 -16.594 -4.832 1.00 10.09 C ATOM 1309 CD1 TYR A 506 8.953 -16.288 -3.775 1.00 10.86 C ATOM 1310 CD2 TYR A 506 10.933 -17.337 -4.557 1.00 11.10 C ATOM 1311 CE1 TYR A 506 9.166 -16.816 -2.518 1.00 11.06 C ATOM 1312 CE2 TYR A 506 11.119 -17.925 -3.315 1.00 11.22 C ATOM 1313 CZ TYR A 506 10.268 -17.600 -2.265 1.00 10.44 C ATOM 1314 OH TYR A 506 10.469 -18.155 -1.012 1.00 11.75 O ATOM 1315 HH TYR A 506 9.778 -17.818 -0.388 1.00 0.00 H ATOM 1316 H TYR A 506 8.628 -13.407 -5.629 1.00 0.00 H ATOM 1317 N ILE A 507 10.490 -14.941 -8.876 1.00 9.36 N ATOM 1318 CA ILE A 507 10.151 -14.920 -10.294 1.00 9.57 C ATOM 1319 C ILE A 507 9.655 -16.298 -10.706 1.00 9.38 C ATOM 1320 O ILE A 507 10.271 -17.310 -10.306 1.00 10.72 O ATOM 1321 CB ILE A 507 11.403 -14.599 -11.170 1.00 10.30 C ATOM 1322 CG1 ILE A 507 12.132 -13.354 -10.693 1.00 11.60 C ATOM 1323 CG2 ILE A 507 11.075 -14.627 -12.659 1.00 10.92 C ATOM 1324 CD1 ILE A 507 11.275 -12.135 -10.747 1.00 12.62 C ATOM 1325 H ILE A 507 11.334 -15.468 -8.573 1.00 0.00 H ATOM 1326 N LEU A 508 8.551 -16.368 -11.446 1.00 8.72 N ATOM 1327 CA LEU A 508 8.087 -17.667 -11.950 1.00 8.95 C ATOM 1328 C LEU A 508 8.905 -18.048 -13.167 1.00 9.83 C ATOM 1329 O LEU A 508 8.805 -17.402 -14.235 1.00 11.02 O ATOM 1330 CB LEU A 508 6.600 -17.561 -12.329 1.00 10.38 C ATOM 1331 CG LEU A 508 5.994 -18.815 -12.932 1.00 11.56 C ATOM 1332 CD1 LEU A 508 6.101 -20.008 -12.003 1.00 13.69 C ATOM 1333 CD2 LEU A 508 4.559 -18.521 -13.325 1.00 13.26 C ATOM 1334 H LEU A 508 8.017 -15.503 -11.667 1.00 0.00 H ATOM 1335 N LYS A 509 9.724 -19.092 -13.023 1.00 11.06 N ATOM 1336 CA LYS A 509 10.655 -19.501 -14.064 1.00 11.42 C ATOM 1337 C LYS A 509 9.925 -19.926 -15.324 1.00 11.78 C ATOM 1338 O LYS A 509 9.021 -20.751 -15.274 1.00 12.81 O ATOM 1339 CB LYS A 509 11.466 -20.696 -13.528 1.00 13.50 C ATOM 1340 CG LYS A 509 12.388 -21.350 -14.526 1.00 18.39 C ATOM 1341 CD LYS A 509 13.659 -20.635 -14.788 1.00 21.32 C ATOM 1342 CE LYS A 509 14.477 -21.560 -15.720 1.00 32.72 C ATOM 1343 NZ LYS A 509 15.816 -21.014 -15.746 1.00 30.41 N ATOM 1344 HZ1 LYS A 509 15.785 -20.041 -16.113 1.00 0.00 H ATOM 1345 HZ2 LYS A 509 16.206 -21.010 -14.782 1.00 0.00 H ATOM 1346 HZ3 LYS A 509 16.416 -21.599 -16.362 1.00 0.00 H ATOM 1347 H LYS A 509 9.696 -19.633 -12.135 1.00 0.00 H ATOM 1348 N GLY A 510 10.288 -19.315 -16.449 1.00 12.74 N ATOM 1349 CA GLY A 510 9.690 -19.605 -17.740 1.00 13.14 C ATOM 1350 C GLY A 510 8.407 -18.870 -18.033 1.00 12.32 C ATOM 1351 O GLY A 510 7.883 -18.977 -19.149 1.00 13.89 O ATOM 1352 H GLY A 510 11.037 -18.595 -16.401 1.00 0.00 H ATOM 1353 N GLY A 511 7.923 -18.110 -17.051 1.00 11.02 N ATOM 1354 CA GLY A 511 6.766 -17.257 -17.284 1.00 12.15 C ATOM 1355 C GLY A 511 5.491 -17.989 -17.643 1.00 10.40 C ATOM 1356 O GLY A 511 5.335 -19.198 -17.442 1.00 11.64 O ATOM 1357 H GLY A 511 8.374 -18.126 -16.114 1.00 0.00 H ATOM 1358 N TYR A 512 4.574 -17.227 -18.223 1.00 10.29 N ATOM 1359 CA TYR A 512 3.281 -17.775 -18.618 1.00 10.75 C ATOM 1360 C TYR A 512 3.451 -18.841 -19.685 1.00 10.47 C ATOM 1361 O TYR A 512 2.725 -19.861 -19.697 1.00 11.52 O ATOM 1362 CB TYR A 512 2.308 -16.689 -19.074 1.00 11.42 C ATOM 1363 CG TYR A 512 0.913 -17.212 -19.230 1.00 10.79 C ATOM 1364 CD1 TYR A 512 0.099 -17.431 -18.125 1.00 12.21 C ATOM 1365 CD2 TYR A 512 0.429 -17.518 -20.462 1.00 11.75 C ATOM 1366 CE1 TYR A 512 -1.165 -17.973 -18.261 1.00 11.33 C ATOM 1367 CE2 TYR A 512 -0.858 -18.022 -20.636 1.00 12.77 C ATOM 1368 CZ TYR A 512 -1.654 -18.259 -19.512 1.00 12.73 C ATOM 1369 OH TYR A 512 -2.910 -18.735 -19.666 1.00 13.53 O ATOM 1370 HH TYR A 512 -3.440 -18.097 -20.207 1.00 0.00 H ATOM 1371 H TYR A 512 4.780 -16.223 -18.399 1.00 0.00 H ATOM 1372 N LYS A 513 4.395 -18.606 -20.603 1.00 11.38 N ATOM 1373 CA LYS A 513 4.656 -19.586 -21.681 1.00 12.34 C ATOM 1374 C LYS A 513 4.909 -20.992 -21.182 1.00 11.56 C ATOM 1375 O LYS A 513 4.414 -21.924 -21.804 1.00 13.48 O ATOM 1376 CB LYS A 513 5.834 -19.119 -22.553 1.00 13.55 C ATOM 1377 CG LYS A 513 6.036 -20.015 -23.782 1.00 16.70 C ATOM 1378 CD LYS A 513 7.256 -20.855 -23.620 1.00 26.33 C ATOM 1379 CE LYS A 513 7.473 -21.669 -24.882 1.00 30.70 C ATOM 1380 NZ LYS A 513 8.578 -22.637 -24.684 1.00 36.77 N ATOM 1381 HZ1 LYS A 513 9.452 -22.122 -24.456 1.00 0.00 H ATOM 1382 HZ2 LYS A 513 8.339 -23.279 -23.901 1.00 0.00 H ATOM 1383 HZ3 LYS A 513 8.716 -23.187 -25.556 1.00 0.00 H ATOM 1384 H LYS A 513 4.950 -17.728 -20.559 1.00 0.00 H ATOM 1385 N GLU A 514 5.652 -21.133 -20.077 1.00 11.42 N ATOM 1386 CA GLU A 514 5.898 -22.451 -19.515 1.00 13.34 C ATOM 1387 C GLU A 514 4.828 -22.916 -18.527 1.00 11.10 C ATOM 1388 O GLU A 514 4.673 -24.139 -18.319 1.00 16.38 O ATOM 1389 CB GLU A 514 7.279 -22.516 -18.886 1.00 16.20 C ATOM 1390 CG GLU A 514 8.405 -22.346 -19.885 1.00 17.85 C ATOM 1391 CD GLU A 514 8.552 -23.419 -20.950 1.00 27.14 C ATOM 1392 OE1 GLU A 514 7.910 -24.496 -20.859 1.00 31.87 O ATOM 1393 OE2 GLU A 514 9.293 -23.107 -21.911 1.00 37.05 O ATOM 1394 H GLU A 514 6.057 -20.293 -19.617 1.00 0.00 H ATOM 1395 N PHE A 515 4.060 -22.001 -17.948 1.00 11.21 N ATOM 1396 CA PHE A 515 3.116 -22.368 -16.923 1.00 10.68 C ATOM 1397 C PHE A 515 1.863 -22.941 -17.576 1.00 11.57 C ATOM 1398 O PHE A 515 1.365 -23.976 -17.166 1.00 11.70 O ATOM 1399 CB PHE A 515 2.762 -21.167 -16.064 1.00 11.05 C ATOM 1400 CG PHE A 515 1.800 -21.499 -14.955 1.00 10.27 C ATOM 1401 CD1 PHE A 515 2.297 -22.004 -13.768 1.00 11.67 C ATOM 1402 CD2 PHE A 515 0.430 -21.344 -15.115 1.00 11.42 C ATOM 1403 CE1 PHE A 515 1.440 -22.377 -12.762 1.00 12.33 C ATOM 1404 CE2 PHE A 515 -0.447 -21.683 -14.086 1.00 11.13 C ATOM 1405 CZ PHE A 515 0.073 -22.231 -12.938 1.00 12.19 C ATOM 1406 H PHE A 515 4.141 -21.006 -18.238 1.00 0.00 H ATOM 1407 N PHE A 516 1.365 -22.282 -18.604 1.00 11.15 N ATOM 1408 CA PHE A 516 0.141 -22.687 -19.259 1.00 10.41 C ATOM 1409 C PHE A 516 0.084 -24.130 -19.785 1.00 11.53 C ATOM 1410 O PHE A 516 -0.888 -24.842 -19.536 1.00 12.71 O ATOM 1411 CB PHE A 516 -0.214 -21.695 -20.364 1.00 12.00 C ATOM 1412 CG PHE A 516 -1.395 -22.115 -21.193 1.00 13.90 C ATOM 1413 CD1 PHE A 516 -2.658 -22.193 -20.617 1.00 14.79 C ATOM 1414 CD2 PHE A 516 -1.248 -22.456 -22.509 1.00 16.06 C ATOM 1415 CE1 PHE A 516 -3.724 -22.662 -21.327 1.00 18.46 C ATOM 1416 CE2 PHE A 516 -2.332 -22.883 -23.245 1.00 19.26 C ATOM 1417 CZ PHE A 516 -3.576 -22.954 -22.654 1.00 19.35 C ATOM 1418 H PHE A 516 1.869 -21.443 -18.955 1.00 0.00 H ATOM 1419 N PRO A 517 1.136 -24.611 -20.476 1.00 11.24 N ATOM 1420 CA PRO A 517 1.090 -26.009 -20.946 1.00 14.81 C ATOM 1421 C PRO A 517 1.099 -27.023 -19.801 1.00 14.28 C ATOM 1422 O PRO A 517 0.659 -28.157 -20.014 1.00 18.84 O ATOM 1423 CB PRO A 517 2.356 -26.173 -21.771 1.00 17.34 C ATOM 1424 CG PRO A 517 3.180 -24.969 -21.501 1.00 19.33 C ATOM 1425 CD PRO A 517 2.283 -23.876 -21.031 1.00 13.45 C ATOM 1426 N GLN A 518 1.637 -26.662 -18.641 1.00 13.96 N ATOM 1427 CA GLN A 518 1.707 -27.605 -17.510 1.00 14.23 C ATOM 1428 C GLN A 518 0.376 -27.604 -16.715 1.00 12.12 C ATOM 1429 O GLN A 518 -0.069 -28.665 -16.247 1.00 14.50 O ATOM 1430 CB GLN A 518 2.809 -27.165 -16.529 1.00 17.25 C ATOM 1431 CG GLN A 518 4.229 -27.447 -16.966 1.00 24.00 C ATOM 1432 CD GLN A 518 4.540 -28.924 -16.869 1.00 29.60 C ATOM 1433 OE1 GLN A 518 4.619 -29.507 -15.766 1.00 30.90 O ATOM 1434 NE2 GLN A 518 4.570 -29.568 -18.018 1.00 40.59 N ATOM 1435 HE22 GLN A 518 4.501 -29.041 -18.912 1.00 0.00 H ATOM 1436 HE21 GLN A 518 4.663 -30.604 -18.031 1.00 0.00 H ATOM 1437 H GLN A 518 2.015 -25.699 -18.529 1.00 0.00 H ATOM 1438 N HIS A 519 -0.246 -26.429 -16.601 1.00 11.48 N ATOM 1439 CA HIS A 519 -1.368 -26.261 -15.678 1.00 11.55 C ATOM 1440 C HIS A 519 -2.463 -25.402 -16.277 1.00 10.57 C ATOM 1441 O HIS A 519 -2.855 -24.356 -15.696 1.00 11.14 O ATOM 1442 CB HIS A 519 -0.893 -25.652 -14.353 1.00 10.67 C ATOM 1443 CG HIS A 519 0.123 -26.494 -13.641 1.00 12.65 C ATOM 1444 ND1 HIS A 519 -0.190 -27.682 -13.003 1.00 14.65 N ATOM 1445 CD2 HIS A 519 1.449 -26.311 -13.460 1.00 14.76 C ATOM 1446 CE1 HIS A 519 0.921 -28.227 -12.526 1.00 14.94 C ATOM 1447 NE2 HIS A 519 1.922 -27.403 -12.774 1.00 16.45 N ATOM 1448 H HIS A 519 0.071 -25.622 -17.176 1.00 0.00 H ATOM 1449 N PRO A 520 -3.046 -25.896 -17.356 1.00 10.17 N ATOM 1450 CA PRO A 520 -4.049 -25.066 -18.049 1.00 11.25 C ATOM 1451 C PRO A 520 -5.262 -24.739 -17.186 1.00 10.63 C ATOM 1452 O PRO A 520 -5.883 -23.673 -17.411 1.00 12.33 O ATOM 1453 CB PRO A 520 -4.445 -25.935 -19.260 1.00 12.78 C ATOM 1454 CG PRO A 520 -4.010 -27.337 -18.912 1.00 12.84 C ATOM 1455 CD PRO A 520 -2.767 -27.139 -18.079 1.00 11.94 C ATOM 1456 N ASN A 521 -5.672 -25.662 -16.297 1.00 12.19 N ATOM 1457 CA ASN A 521 -6.874 -25.405 -15.522 1.00 11.63 C ATOM 1458 C ASN A 521 -6.645 -24.358 -14.428 1.00 12.46 C ATOM 1459 O ASN A 521 -7.568 -24.011 -13.718 1.00 15.70 O ATOM 1460 CB ASN A 521 -7.516 -26.668 -14.966 1.00 13.28 C ATOM 1461 CG ASN A 521 -9.015 -26.528 -14.834 1.00 14.99 C ATOM 1462 OD1 ASN A 521 -9.644 -25.649 -15.467 1.00 16.51 O ATOM 1463 ND2 ASN A 521 -9.618 -27.400 -14.054 1.00 14.10 N ATOM 1464 HD22 ASN A 521 -9.060 -28.115 -13.545 1.00 0.00 H ATOM 1465 HD21 ASN A 521 -10.652 -27.374 -13.947 1.00 0.00 H ATOM 1466 H ASN A 521 -5.138 -26.545 -16.167 1.00 0.00 H ATOM 1467 N PHE A 522 -5.381 -23.950 -14.264 1.00 10.85 N ATOM 1468 CA PHE A 522 -5.078 -22.853 -13.343 1.00 11.49 C ATOM 1469 C PHE A 522 -5.011 -21.496 -14.076 1.00 12.11 C ATOM 1470 O PHE A 522 -4.596 -20.498 -13.467 1.00 14.29 O ATOM 1471 CB PHE A 522 -3.798 -23.126 -12.577 1.00 12.20 C ATOM 1472 CG PHE A 522 -3.949 -24.178 -11.505 1.00 10.45 C ATOM 1473 CD1 PHE A 522 -3.903 -25.533 -11.791 1.00 11.57 C ATOM 1474 CD2 PHE A 522 -4.159 -23.810 -10.201 1.00 12.60 C ATOM 1475 CE1 PHE A 522 -4.099 -26.455 -10.784 1.00 13.31 C ATOM 1476 CE2 PHE A 522 -4.332 -24.727 -9.181 1.00 13.31 C ATOM 1477 CZ PHE A 522 -4.301 -26.077 -9.508 1.00 12.93 C ATOM 1478 H PHE A 522 -4.613 -24.413 -14.791 1.00 0.00 H ATOM 1479 N CYS A 523 -5.450 -21.484 -15.345 1.00 12.38 N ATOM 1480 CA CYS A 523 -5.388 -20.286 -16.188 1.00 12.08 C ATOM 1481 C CYS A 523 -6.805 -19.932 -16.652 1.00 13.87 C ATOM 1482 O CYS A 523 -7.682 -20.823 -16.775 1.00 16.31 O ATOM 1483 CB CYS A 523 -4.518 -20.547 -17.412 1.00 13.32 C ATOM 1484 SG CYS A 523 -2.819 -20.974 -16.954 1.00 13.90 S ATOM 1485 H CYS A 523 -5.849 -22.357 -15.745 1.00 0.00 H ATOM 1486 N GLU A 524 -7.027 -18.631 -16.901 1.00 14.83 N ATOM 1487 CA GLU A 524 -8.266 -18.162 -17.507 1.00 18.47 C ATOM 1488 C GLU A 524 -7.997 -16.956 -18.377 1.00 17.70 C ATOM 1489 O GLU A 524 -7.257 -16.050 -17.968 1.00 19.88 O ATOM 1490 CB GLU A 524 -9.363 -17.840 -16.471 1.00 24.12 C ATOM 1491 CG GLU A 524 -9.048 -17.016 -15.229 1.00 34.97 C ATOM 1492 CD GLU A 524 -10.196 -16.973 -14.195 1.00 62.74 C ATOM 1493 OE1 GLU A 524 -11.158 -17.789 -14.286 1.00 54.38 O ATOM 1494 OE2 GLU A 524 -10.126 -16.126 -13.255 1.00 47.11 O ATOM 1495 H GLU A 524 -6.292 -17.938 -16.654 1.00 0.00 H ATOM 1496 N PRO A 525 -8.606 -16.931 -19.570 1.00 19.71 N ATOM 1497 CA PRO A 525 -9.114 -18.124 -20.289 1.00 19.81 C ATOM 1498 C PRO A 525 -7.991 -19.154 -20.465 1.00 16.55 C ATOM 1499 O PRO A 525 -6.815 -18.808 -20.203 1.00 17.51 O ATOM 1500 CB PRO A 525 -9.558 -17.564 -21.660 1.00 26.24 C ATOM 1501 CG PRO A 525 -8.772 -16.320 -21.806 1.00 31.96 C ATOM 1502 CD PRO A 525 -8.554 -15.752 -20.431 1.00 25.27 C ATOM 1503 N GLN A 526 -8.342 -20.385 -20.883 1.00 20.12 N ATOM 1504 CA GLN A 526 -7.318 -21.402 -21.117 1.00 21.72 C ATOM 1505 C GLN A 526 -6.688 -21.215 -22.462 1.00 21.62 C ATOM 1506 O GLN A 526 -6.991 -21.951 -23.394 1.00 23.78 O ATOM 1507 CB GLN A 526 -7.854 -22.822 -21.091 1.00 24.12 C ATOM 1508 CG GLN A 526 -8.298 -23.209 -19.751 1.00 30.16 C ATOM 1509 CD GLN A 526 -8.476 -24.696 -19.601 1.00 21.52 C ATOM 1510 OE1 GLN A 526 -8.248 -25.536 -20.501 1.00 25.29 O ATOM 1511 NE2 GLN A 526 -8.946 -25.037 -18.463 1.00 20.43 N ATOM 1512 HE22 GLN A 526 -9.124 -24.315 -17.736 1.00 0.00 H ATOM 1513 HE21 GLN A 526 -9.150 -26.037 -18.263 1.00 0.00 H ATOM 1514 H GLN A 526 -9.345 -20.613 -21.040 1.00 0.00 H ATOM 1515 N ASP A 527 -5.848 -20.202 -22.576 1.00 17.87 N ATOM 1516 CA ASP A 527 -5.182 -19.924 -23.833 1.00 17.54 C ATOM 1517 C ASP A 527 -3.960 -19.100 -23.501 1.00 16.89 C ATOM 1518 O ASP A 527 -3.694 -18.800 -22.318 1.00 16.13 O ATOM 1519 CB ASP A 527 -6.111 -19.183 -24.791 1.00 21.70 C ATOM 1520 CG ASP A 527 -5.794 -19.427 -26.281 1.00 30.54 C ATOM 1521 OD1 ASP A 527 -4.677 -19.840 -26.651 1.00 25.39 O ATOM 1522 OD2 ASP A 527 -6.681 -19.175 -27.120 1.00 34.58 O ATOM 1523 H ASP A 527 -5.662 -19.595 -21.752 1.00 0.00 H ATOM 1524 N TYR A 528 -3.188 -18.830 -24.553 1.00 16.21 N ATOM 1525 CA TYR A 528 -1.923 -18.123 -24.425 1.00 13.82 C ATOM 1526 C TYR A 528 -1.777 -17.224 -25.631 1.00 15.29 C ATOM 1527 O TYR A 528 -1.739 -17.700 -26.772 1.00 17.06 O ATOM 1528 CB TYR A 528 -0.765 -19.134 -24.301 1.00 17.54 C ATOM 1529 CG TYR A 528 0.632 -18.618 -24.549 1.00 16.10 C ATOM 1530 CD1 TYR A 528 1.059 -17.376 -24.109 1.00 14.31 C ATOM 1531 CD2 TYR A 528 1.556 -19.406 -25.244 1.00 20.33 C ATOM 1532 CE1 TYR A 528 2.338 -16.921 -24.392 1.00 14.04 C ATOM 1533 CE2 TYR A 528 2.849 -18.978 -25.466 1.00 17.11 C ATOM 1534 CZ TYR A 528 3.243 -17.728 -25.053 1.00 14.49 C ATOM 1535 OH TYR A 528 4.518 -17.285 -25.323 1.00 16.71 O ATOM 1536 HH TYR A 528 4.661 -17.270 -26.303 1.00 0.00 H ATOM 1537 H TYR A 528 -3.500 -19.135 -25.497 1.00 0.00 H ATOM 1538 N ARG A 529 -1.696 -15.924 -25.321 1.00 14.73 N ATOM 1539 CA ARG A 529 -1.488 -14.867 -26.344 1.00 14.73 C ATOM 1540 C ARG A 529 -0.106 -14.264 -26.170 1.00 14.45 C ATOM 1541 O ARG A 529 0.099 -13.503 -25.224 1.00 14.35 O ATOM 1542 CB ARG A 529 -2.563 -13.798 -26.216 1.00 15.10 C ATOM 1543 CG ARG A 529 -2.494 -12.733 -27.300 1.00 16.23 C ATOM 1544 CD ARG A 529 -3.618 -11.725 -27.133 1.00 16.86 C ATOM 1545 NE ARG A 529 -4.891 -12.362 -27.426 1.00 16.68 N ATOM 1546 CZ ARG A 529 -6.057 -11.910 -26.994 1.00 17.71 C ATOM 1547 NH1 ARG A 529 -6.113 -10.930 -26.102 1.00 19.17 N ATOM 1548 NH2 ARG A 529 -7.166 -12.376 -27.524 1.00 21.60 N ATOM 1549 HE ARG A 529 -4.885 -13.223 -28.009 1.00 0.00 H ATOM 1550 HH12 ARG A 529 -7.035 -10.582 -25.769 1.00 0.00 H ATOM 1551 HH11 ARG A 529 -5.235 -10.510 -25.736 1.00 0.00 H ATOM 1552 HH22 ARG A 529 -8.088 -12.027 -27.192 1.00 0.00 H ATOM 1553 HH21 ARG A 529 -7.122 -13.093 -28.276 1.00 0.00 H ATOM 1554 H ARG A 529 -1.782 -15.643 -24.323 1.00 0.00 H ATOM 1555 N PRO A 530 0.815 -14.518 -27.113 1.00 14.63 N ATOM 1556 CA PRO A 530 2.156 -13.939 -27.003 1.00 15.30 C ATOM 1557 C PRO A 530 2.177 -12.428 -27.181 1.00 15.13 C ATOM 1558 O PRO A 530 1.335 -11.870 -27.922 1.00 15.09 O ATOM 1559 CB PRO A 530 2.938 -14.618 -28.141 1.00 15.95 C ATOM 1560 CG PRO A 530 2.219 -15.927 -28.318 1.00 18.30 C ATOM 1561 CD PRO A 530 0.767 -15.579 -28.129 1.00 16.43 C ATOM 1562 N MET A 531 3.207 -11.793 -26.618 1.00 12.95 N ATOM 1563 CA MET A 531 3.382 -10.357 -26.814 1.00 14.32 C ATOM 1564 C MET A 531 3.442 -10.037 -28.311 1.00 15.35 C ATOM 1565 O MET A 531 2.872 -9.029 -28.756 1.00 16.72 O ATOM 1566 CB MET A 531 4.674 -9.895 -26.177 1.00 16.84 C ATOM 1567 CG MET A 531 4.826 -8.382 -26.132 1.00 15.86 C ATOM 1568 SD MET A 531 6.395 -7.738 -25.525 1.00 20.16 S ATOM 1569 CE MET A 531 7.409 -8.127 -26.900 1.00 21.68 C ATOM 1570 H MET A 531 3.888 -12.323 -26.037 1.00 0.00 H ATOM 1571 N ASN A 532 4.116 -10.903 -29.085 1.00 16.96 N ATOM 1572 CA ASN A 532 4.309 -10.566 -30.497 1.00 19.82 C ATOM 1573 C ASN A 532 3.266 -11.273 -31.406 1.00 18.96 C ATOM 1574 O ASN A 532 3.455 -11.404 -32.624 1.00 20.43 O ATOM 1575 CB ASN A 532 5.794 -10.708 -30.926 1.00 23.09 C ATOM 1576 CG ASN A 532 6.711 -9.565 -30.398 1.00 23.48 C ATOM 1577 OD1 ASN A 532 6.393 -8.371 -30.479 1.00 23.08 O ATOM 1578 ND2 ASN A 532 7.911 -9.939 -29.948 1.00 27.85 N ATOM 1579 HD22 ASN A 532 8.153 -10.949 -29.890 1.00 0.00 H ATOM 1580 HD21 ASN A 532 8.604 -9.221 -29.656 1.00 0.00 H ATOM 1581 H ASN A 532 4.491 -11.790 -28.692 1.00 0.00 H ATOM 1582 N HIS A 533 2.091 -11.532 -30.839 1.00 16.95 N ATOM 1583 CA HIS A 533 0.991 -12.047 -31.644 1.00 18.17 C ATOM 1584 C HIS A 533 0.720 -11.136 -32.835 1.00 17.71 C ATOM 1585 O HIS A 533 0.532 -9.921 -32.654 1.00 17.86 O ATOM 1586 CB HIS A 533 -0.267 -12.206 -30.783 1.00 16.89 C ATOM 1587 CG HIS A 533 -1.351 -13.000 -31.438 1.00 19.32 C ATOM 1588 ND1 HIS A 533 -2.115 -12.524 -32.481 1.00 22.12 N ATOM 1589 CD2 HIS A 533 -1.860 -14.219 -31.128 1.00 22.79 C ATOM 1590 CE1 HIS A 533 -3.005 -13.430 -32.830 1.00 20.98 C ATOM 1591 NE2 HIS A 533 -2.874 -14.470 -32.019 1.00 22.75 N ATOM 1592 H HIS A 533 1.957 -11.367 -29.821 1.00 0.00 H ATOM 1593 N GLU A 534 0.559 -11.735 -34.018 1.00 21.79 N ATOM 1594 CA GLU A 534 0.445 -10.949 -35.245 1.00 22.79 C ATOM 1595 C GLU A 534 -0.747 -10.004 -35.267 1.00 24.34 C ATOM 1596 O GLU A 534 -0.774 -9.036 -36.029 1.00 26.70 O ATOM 1597 CB GLU A 534 0.397 -11.853 -36.500 1.00 28.73 C ATOM 1598 CG GLU A 534 -0.768 -12.839 -36.527 1.00 49.24 C ATOM 1599 CD GLU A 534 -2.115 -12.294 -37.022 1.00 69.49 C ATOM 1600 OE1 GLU A 534 -2.157 -11.227 -37.682 1.00 76.97 O ATOM 1601 OE2 GLU A 534 -3.152 -12.961 -36.763 1.00 55.79 O ATOM 1602 H GLU A 534 0.514 -12.773 -34.067 1.00 0.00 H ATOM 1603 N ALA A 535 -1.793 -10.352 -34.546 1.00 19.80 N ATOM 1604 CA ALA A 535 -3.021 -9.574 -34.561 1.00 19.20 C ATOM 1605 C ALA A 535 -3.058 -8.410 -33.558 1.00 17.23 C ATOM 1606 O ALA A 535 -4.055 -7.685 -33.496 1.00 21.35 O ATOM 1607 CB ALA A 535 -4.203 -10.497 -34.329 1.00 23.00 C ATOM 1608 H ALA A 535 -1.739 -11.204 -33.952 1.00 0.00 H ATOM 1609 N PHE A 536 -2.000 -8.276 -32.758 1.00 16.46 N ATOM 1610 CA PHE A 536 -1.948 -7.316 -31.654 1.00 16.49 C ATOM 1611 C PHE A 536 -0.796 -6.329 -31.784 1.00 16.91 C ATOM 1612 O PHE A 536 -0.398 -5.676 -30.806 1.00 15.60 O ATOM 1613 CB PHE A 536 -1.895 -8.113 -30.342 1.00 15.66 C ATOM 1614 CG PHE A 536 -3.201 -8.777 -30.022 1.00 17.19 C ATOM 1615 CD1 PHE A 536 -3.534 -9.987 -30.611 1.00 19.13 C ATOM 1616 CD2 PHE A 536 -4.174 -8.104 -29.303 1.00 17.67 C ATOM 1617 CE1 PHE A 536 -4.764 -10.554 -30.392 1.00 20.05 C ATOM 1618 CE2 PHE A 536 -5.394 -8.696 -29.032 1.00 19.78 C ATOM 1619 CZ PHE A 536 -5.706 -9.893 -29.635 1.00 19.26 C ATOM 1620 H PHE A 536 -1.172 -8.882 -32.926 1.00 0.00 H ATOM 1621 N LYS A 537 -0.326 -6.116 -33.006 1.00 17.55 N ATOM 1622 CA LYS A 537 0.784 -5.161 -33.211 1.00 18.45 C ATOM 1623 C LYS A 537 0.397 -3.734 -32.783 1.00 16.15 C ATOM 1624 O LYS A 537 1.210 -3.017 -32.216 1.00 17.98 O ATOM 1625 CB LYS A 537 1.271 -5.179 -34.659 1.00 21.35 C ATOM 1626 CG LYS A 537 1.819 -6.523 -35.127 1.00 25.80 C ATOM 1627 CD LYS A 537 2.129 -6.499 -36.624 1.00 33.44 C ATOM 1628 CE LYS A 537 2.601 -7.866 -37.103 1.00 43.05 C ATOM 1629 NZ LYS A 537 2.561 -8.039 -38.579 1.00 80.93 N ATOM 1630 HZ1 LYS A 537 1.584 -7.917 -38.915 1.00 0.00 H ATOM 1631 HZ2 LYS A 537 3.174 -7.328 -39.027 1.00 0.00 H ATOM 1632 HZ3 LYS A 537 2.896 -8.992 -38.824 1.00 0.00 H ATOM 1633 H LYS A 537 -0.737 -6.619 -33.818 1.00 0.00 H ATOM 1634 N ASP A 538 -0.841 -3.341 -33.061 1.00 16.34 N ATOM 1635 CA ASP A 538 -1.307 -2.013 -32.693 1.00 19.72 C ATOM 1636 C ASP A 538 -1.434 -1.852 -31.181 1.00 17.00 C ATOM 1637 O ASP A 538 -1.082 -0.815 -30.616 1.00 17.55 O ATOM 1638 CB ASP A 538 -2.648 -1.706 -33.334 1.00 22.29 C ATOM 1639 CG ASP A 538 -2.574 -1.606 -34.852 1.00 34.70 C ATOM 1640 OD1 ASP A 538 -1.484 -1.335 -35.420 1.00 43.61 O ATOM 1641 OD2 ASP A 538 -3.660 -1.701 -35.473 1.00 44.93 O ATOM 1642 H ASP A 538 -1.487 -3.993 -33.549 1.00 0.00 H ATOM 1643 N GLU A 539 -1.915 -2.916 -30.527 1.00 15.82 N ATOM 1644 CA GLU A 539 -2.096 -2.888 -29.088 1.00 14.21 C ATOM 1645 C GLU A 539 -0.720 -2.779 -28.421 1.00 12.99 C ATOM 1646 O GLU A 539 -0.565 -2.111 -27.399 1.00 14.61 O ATOM 1647 CB GLU A 539 -2.831 -4.139 -28.632 1.00 15.13 C ATOM 1648 CG GLU A 539 -4.306 -4.154 -28.962 1.00 17.88 C ATOM 1649 CD GLU A 539 -4.669 -4.651 -30.354 1.00 20.35 C ATOM 1650 OE1 GLU A 539 -3.814 -4.814 -31.247 1.00 18.96 O ATOM 1651 OE2 GLU A 539 -5.897 -4.772 -30.569 1.00 32.38 O ATOM 1652 H GLU A 539 -2.163 -3.775 -31.058 1.00 0.00 H ATOM 1653 N LEU A 540 0.294 -3.440 -28.975 1.00 13.61 N ATOM 1654 CA LEU A 540 1.668 -3.342 -28.446 1.00 12.70 C ATOM 1655 C LEU A 540 2.100 -1.880 -28.507 1.00 12.19 C ATOM 1656 O LEU A 540 2.623 -1.320 -27.516 1.00 13.41 O ATOM 1657 CB LEU A 540 2.669 -4.238 -29.202 1.00 14.07 C ATOM 1658 CG LEU A 540 4.120 -4.252 -28.716 1.00 18.78 C ATOM 1659 CD1 LEU A 540 4.782 -5.557 -29.148 1.00 23.91 C ATOM 1660 CD2 LEU A 540 4.904 -3.118 -29.311 1.00 22.86 C ATOM 1661 H LEU A 540 0.113 -4.042 -29.803 1.00 0.00 H ATOM 1662 N LYS A 541 1.987 -1.248 -29.685 1.00 12.97 N ATOM 1663 CA LYS A 541 2.396 0.161 -29.798 1.00 13.50 C ATOM 1664 C LYS A 541 1.638 1.088 -28.856 1.00 12.72 C ATOM 1665 O LYS A 541 2.242 1.960 -28.202 1.00 15.61 O ATOM 1666 CB LYS A 541 2.251 0.655 -31.231 1.00 15.70 C ATOM 1667 CG LYS A 541 3.190 -0.051 -32.170 1.00 16.41 C ATOM 1668 CD LYS A 541 2.959 0.351 -33.618 1.00 20.23 C ATOM 1669 CE LYS A 541 3.858 -0.469 -34.508 1.00 28.44 C ATOM 1670 NZ LYS A 541 3.528 -0.209 -35.934 1.00 40.31 N ATOM 1671 HZ1 LYS A 541 2.537 -0.469 -36.112 1.00 0.00 H ATOM 1672 HZ2 LYS A 541 3.666 0.801 -36.142 1.00 0.00 H ATOM 1673 HZ3 LYS A 541 4.151 -0.777 -36.542 1.00 0.00 H ATOM 1674 H LYS A 541 1.612 -1.751 -30.514 1.00 0.00 H ATOM 1675 N THR A 542 0.329 0.847 -28.720 1.00 13.85 N ATOM 1676 CA THR A 542 -0.505 1.681 -27.859 1.00 13.68 C ATOM 1677 C THR A 542 0.010 1.613 -26.436 1.00 12.96 C ATOM 1678 O THR A 542 0.084 2.628 -25.737 1.00 14.37 O ATOM 1679 CB THR A 542 -1.965 1.203 -27.943 1.00 15.67 C ATOM 1680 OG1 THR A 542 -2.469 1.424 -29.273 1.00 19.01 O ATOM 1681 CG2 THR A 542 -2.858 1.832 -26.902 1.00 18.13 C ATOM 1682 HG1 THR A 542 -1.918 0.918 -29.922 1.00 0.00 H ATOM 1683 H THR A 542 -0.101 0.053 -29.236 1.00 0.00 H ATOM 1684 N PHE A 543 0.297 0.401 -25.971 1.00 12.44 N ATOM 1685 CA PHE A 543 0.800 0.234 -24.641 1.00 12.47 C ATOM 1686 C PHE A 543 2.148 0.940 -24.458 1.00 12.19 C ATOM 1687 O PHE A 543 2.397 1.621 -23.473 1.00 12.86 O ATOM 1688 CB PHE A 543 0.903 -1.238 -24.269 1.00 15.87 C ATOM 1689 CG PHE A 543 1.483 -1.428 -22.906 1.00 16.62 C ATOM 1690 CD1 PHE A 543 0.645 -1.344 -21.806 1.00 20.04 C ATOM 1691 CD2 PHE A 543 2.849 -1.496 -22.714 1.00 19.18 C ATOM 1692 CE1 PHE A 543 1.156 -1.339 -20.507 1.00 20.94 C ATOM 1693 CE2 PHE A 543 3.382 -1.493 -21.418 1.00 18.75 C ATOM 1694 CZ PHE A 543 2.527 -1.442 -20.323 1.00 19.66 C ATOM 1695 H PHE A 543 0.155 -0.432 -26.578 1.00 0.00 H ATOM 1696 N ARG A 544 3.077 0.738 -25.381 1.00 12.25 N ATOM 1697 CA ARG A 544 4.422 1.286 -25.241 1.00 12.72 C ATOM 1698 C ARG A 544 4.386 2.801 -25.071 1.00 11.72 C ATOM 1699 O ARG A 544 5.245 3.341 -24.372 1.00 13.33 O ATOM 1700 CB ARG A 544 5.277 0.921 -26.443 1.00 12.86 C ATOM 1701 CG ARG A 544 5.673 -0.531 -26.513 1.00 15.73 C ATOM 1702 CD ARG A 544 6.881 -0.847 -25.632 1.00 15.01 C ATOM 1703 NE ARG A 544 7.163 -2.277 -25.561 1.00 14.52 N ATOM 1704 CZ ARG A 544 7.780 -2.973 -26.515 1.00 17.37 C ATOM 1705 NH1 ARG A 544 8.267 -2.334 -27.580 1.00 17.90 N ATOM 1706 NH2 ARG A 544 7.955 -4.283 -26.398 1.00 20.43 N ATOM 1707 HE ARG A 544 6.862 -2.788 -24.707 1.00 0.00 H ATOM 1708 HH12 ARG A 544 8.750 -2.868 -28.330 1.00 0.00 H ATOM 1709 HH11 ARG A 544 8.163 -1.302 -27.660 1.00 0.00 H ATOM 1710 HH22 ARG A 544 8.439 -4.812 -27.151 1.00 0.00 H ATOM 1711 HH21 ARG A 544 7.609 -4.780 -25.553 1.00 0.00 H ATOM 1712 H ARG A 544 2.842 0.176 -26.224 1.00 0.00 H ATOM 1713 N LEU A 545 3.446 3.491 -25.737 1.00 12.00 N ATOM 1714 CA LEU A 545 3.383 4.935 -25.633 1.00 11.85 C ATOM 1715 C LEU A 545 2.836 5.426 -24.298 1.00 12.83 C ATOM 1716 O LEU A 545 2.820 6.637 -24.086 1.00 14.14 O ATOM 1717 CB LEU A 545 2.575 5.498 -26.784 1.00 12.60 C ATOM 1718 CG LEU A 545 3.214 5.231 -28.143 1.00 13.39 C ATOM 1719 CD1 LEU A 545 2.398 5.904 -29.227 1.00 17.41 C ATOM 1720 CD2 LEU A 545 4.692 5.634 -28.218 1.00 15.33 C ATOM 1721 H LEU A 545 2.758 2.986 -26.332 1.00 0.00 H ATOM 1722 N LYS A 546 2.453 4.515 -23.404 1.00 12.19 N ATOM 1723 CA LYS A 546 2.071 4.845 -22.015 1.00 11.84 C ATOM 1724 C LYS A 546 3.222 4.658 -21.014 1.00 12.84 C ATOM 1725 O LYS A 546 3.069 4.956 -19.835 1.00 14.08 O ATOM 1726 CB LYS A 546 0.900 3.967 -21.571 1.00 13.26 C ATOM 1727 CG LYS A 546 -0.347 4.168 -22.429 1.00 14.93 C ATOM 1728 CD LYS A 546 -1.521 3.334 -21.934 1.00 21.06 C ATOM 1729 CE LYS A 546 -2.651 3.378 -22.938 1.00 30.57 C ATOM 1730 NZ LYS A 546 -3.625 2.285 -22.691 1.00 46.58 N ATOM 1731 HZ1 LYS A 546 -3.142 1.367 -22.771 1.00 0.00 H ATOM 1732 HZ2 LYS A 546 -4.023 2.386 -21.735 1.00 0.00 H ATOM 1733 HZ3 LYS A 546 -4.390 2.338 -23.394 1.00 0.00 H ATOM 1734 H LYS A 546 2.421 3.518 -23.700 1.00 0.00 H ATOM 1735 N THR A 547 4.356 4.135 -21.481 1.00 12.85 N ATOM 1736 CA THR A 547 5.453 3.881 -20.585 1.00 13.44 C ATOM 1737 C THR A 547 6.242 5.166 -20.242 1.00 14.78 C ATOM 1738 O THR A 547 6.225 6.158 -20.999 1.00 15.30 O ATOM 1739 CB THR A 547 6.389 2.781 -21.137 1.00 15.21 C ATOM 1740 OG1 THR A 547 7.043 3.202 -22.338 1.00 15.64 O ATOM 1741 CG2 THR A 547 5.629 1.476 -21.333 1.00 16.31 C ATOM 1742 HG1 THR A 547 6.363 3.410 -23.027 1.00 0.00 H ATOM 1743 H THR A 547 4.448 3.911 -22.492 1.00 0.00 H ATOM 1744 N ARG A 548 6.904 5.204 -19.074 1.00 14.14 N ATOM 1745 CA ARG A 548 7.572 6.452 -18.648 1.00 13.41 C ATOM 1746 C ARG A 548 8.929 6.681 -19.334 1.00 14.16 C ATOM 1747 O ARG A 548 9.458 7.803 -19.280 1.00 15.25 O ATOM 1748 CB ARG A 548 7.789 6.559 -17.113 1.00 15.15 C ATOM 1749 CG ARG A 548 6.580 6.705 -16.183 1.00 16.10 C ATOM 1750 CD ARG A 548 6.823 6.681 -14.646 1.00 25.34 C ATOM 1751 NE ARG A 548 7.603 5.561 -14.085 1.00 21.90 N ATOM 1752 CZ ARG A 548 7.875 5.367 -12.792 1.00 22.83 C ATOM 1753 NH1 ARG A 548 7.442 6.214 -11.871 1.00 30.06 N ATOM 1754 NH2 ARG A 548 8.577 4.308 -12.401 1.00 22.37 N ATOM 1755 HE ARG A 548 7.974 4.860 -14.757 1.00 0.00 H ATOM 1756 HH12 ARG A 548 7.662 6.049 -10.868 1.00 0.00 H ATOM 1757 HH11 ARG A 548 6.882 7.044 -12.151 1.00 0.00 H ATOM 1758 HH22 ARG A 548 8.784 4.165 -11.392 1.00 0.00 H ATOM 1759 HH21 ARG A 548 8.919 3.622 -13.104 1.00 0.00 H ATOM 1760 H ARG A 548 6.947 4.358 -18.471 1.00 0.00 H ATOM 1761 N SER A 549 9.518 5.650 -19.939 1.00 16.64 N ATOM 1762 CA SER A 549 10.869 5.752 -20.494 1.00 15.36 C ATOM 1763 C SER A 549 11.038 4.643 -21.550 1.00 15.06 C ATOM 1764 O SER A 549 10.411 3.576 -21.429 1.00 18.26 O ATOM 1765 CB SER A 549 11.889 5.510 -19.356 1.00 29.16 C ATOM 1766 OG SER A 549 13.179 5.684 -19.856 1.00 41.40 O ATOM 1767 HG SER A 549 13.337 5.038 -20.589 1.00 0.00 H ATOM 1768 H SER A 549 9.004 4.749 -20.019 1.00 0.00 H ATOM 1769 N TRP A 550 11.833 4.954 -22.572 1.00 14.62 N ATOM 1770 CA TRP A 550 12.349 4.002 -23.550 1.00 15.57 C ATOM 1771 C TRP A 550 13.745 4.390 -24.028 1.00 19.08 C ATOM 1772 O TRP A 550 14.161 5.510 -23.810 1.00 20.66 O ATOM 1773 CB TRP A 550 11.403 3.814 -24.732 1.00 15.16 C ATOM 1774 CG TRP A 550 10.952 5.093 -25.370 1.00 13.76 C ATOM 1775 CD1 TRP A 550 11.625 5.844 -26.301 1.00 13.54 C ATOM 1776 CD2 TRP A 550 9.676 5.750 -25.164 1.00 12.41 C ATOM 1777 NE1 TRP A 550 10.856 6.924 -26.635 1.00 14.26 N ATOM 1778 CE2 TRP A 550 9.650 6.877 -25.986 1.00 13.33 C ATOM 1779 CE3 TRP A 550 8.528 5.420 -24.436 1.00 14.87 C ATOM 1780 CZ2 TRP A 550 8.533 7.698 -26.096 1.00 14.54 C ATOM 1781 CZ3 TRP A 550 7.424 6.259 -24.514 1.00 13.71 C ATOM 1782 CH2 TRP A 550 7.429 7.381 -25.349 1.00 14.80 C ATOM 1783 HE1 TRP A 550 11.146 7.677 -27.291 1.00 0.00 H ATOM 1784 H TRP A 550 12.107 5.951 -22.681 1.00 0.00 H ATOM 1785 N ALA A 551 14.493 3.444 -24.607 1.00 18.05 N ATOM 1786 CA ALA A 551 15.888 3.678 -25.034 1.00 21.14 C ATOM 1787 C ALA A 551 16.001 4.754 -26.127 1.00 26.14 C ATOM 1788 O ALA A 551 15.002 4.856 -26.894 1.00 16.85 O ATOM 1789 CB ALA A 551 16.459 2.361 -25.527 1.00 27.39 C ATOM 1790 H ALA A 551 14.075 2.505 -24.763 1.00 0.00 H TER 1791 ALA A 551 HETATM 1792 O HOH 1 18.006 -22.580 -7.126 1.00 42.71 O HETATM 1793 O HOH 2 20.935 -18.726 -9.675 1.00 30.48 O HETATM 1794 O HOH 3 -5.566 -24.486 3.875 1.00 39.88 O HETATM 1795 O HOH 4 19.051 -12.463 -1.649 1.00 23.73 O HETATM 1796 O HOH 5 21.336 -5.463 2.604 1.00 22.05 O HETATM 1797 O HOH 6 -5.656 -14.624 7.994 1.00 31.08 O HETATM 1798 O HOH 7 -9.522 -24.347 -12.024 1.00 28.66 O HETATM 1799 O HOH 8 -0.261 -28.398 -4.935 1.00 27.20 O HETATM 1800 O HOH 9 -9.315 -22.860 -16.494 1.00 21.63 O HETATM 1801 O HOH 10 -3.578 3.775 -29.707 1.00 31.46 O HETATM 1802 O HOH 11 -3.725 -18.954 5.217 1.00 24.07 O HETATM 1803 O HOH 12 22.980 -15.614 -15.924 1.00 33.62 O HETATM 1804 O HOH 13 1.354 -19.669 11.118 1.00 45.79 O HETATM 1805 O HOH 14 17.336 -13.033 -3.981 1.00 19.50 O HETATM 1806 O HOH 15 -0.633 -15.034 16.043 1.00 49.87 O HETATM 1807 O HOH 16 8.002 -2.047 7.309 1.00 29.53 O HETATM 1808 O HOH 17 12.814 -0.761 11.122 1.00 18.77 O HETATM 1809 O HOH 18 7.179 -33.306 -8.795 1.00 44.41 O HETATM 1810 O HOH 19 4.308 7.814 -21.973 1.00 13.26 O HETATM 1811 O HOH 20 17.650 -11.427 0.596 1.00 16.34 O HETATM 1812 O HOH 21 -2.037 -26.100 4.813 1.00 49.96 O HETATM 1813 O HOH 22 -1.197 4.969 -26.269 1.00 15.98 O HETATM 1814 O HOH 23 18.699 -8.729 0.609 1.00 18.97 O HETATM 1815 O HOH 24 -2.596 -12.582 -7.041 1.00 20.69 O HETATM 1816 O HOH 25 -5.345 3.196 -24.613 1.00 43.74 O HETATM 1817 O HOH 26 15.396 5.991 -29.359 1.00 14.54 O HETATM 1818 O HOH 27 20.678 -30.297 3.134 1.00 28.33 O HETATM 1819 O HOH 28 4.417 -28.539 -13.057 1.00 20.16 O HETATM 1820 O HOH 29 -0.380 -11.565 15.010 1.00 56.08 O HETATM 1821 O HOH 30 -11.983 -26.172 -16.877 1.00 31.73 O HETATM 1822 O HOH 31 19.318 -16.305 -6.406 1.00 21.49 O HETATM 1823 O HOH 32 -12.153 -18.882 -11.926 1.00 35.25 O HETATM 1824 O HOH 33 3.876 -30.699 -11.471 1.00 25.08 O HETATM 1825 O HOH 34 21.312 -18.106 -3.161 1.00 22.29 O HETATM 1826 O HOH 35 15.619 -0.440 11.330 1.00 18.64 O HETATM 1827 O HOH 36 7.814 -7.592 6.594 1.00 29.28 O HETATM 1828 O HOH 37 20.872 -19.463 -15.255 1.00 48.22 O HETATM 1829 O HOH 38 -10.557 -17.619 -10.921 1.00 33.29 O HETATM 1830 O HOH 39 9.574 -4.749 -28.642 1.00 27.85 O HETATM 1831 O HOH 40 -3.774 -3.152 -3.413 1.00 21.97 O HETATM 1832 O HOH 41 22.204 -8.005 -6.118 1.00 39.44 O HETATM 1833 O HOH 42 -5.913 -9.690 12.077 1.00 42.45 O HETATM 1834 O HOH 43 11.091 1.374 11.214 1.00 38.74 O HETATM 1835 O HOH 44 -3.532 -14.749 -4.648 1.00 34.37 O HETATM 1836 O HOH 45 -4.200 -27.504 0.636 1.00 26.73 O HETATM 1837 O HOH 46 -1.514 -19.579 1.283 1.00 23.59 O HETATM 1838 O HOH 47 24.303 -4.401 4.480 1.00 28.11 O HETATM 1839 O HOH 48 -6.729 -25.671 -22.914 1.00 37.14 O HETATM 1840 O HOH 49 14.116 -19.344 8.763 1.00 27.77 O HETATM 1841 O HOH 50 -5.060 -7.606 1.199 1.00 30.69 O HETATM 1842 O HOH 51 9.082 1.383 -23.170 1.00 21.64 O HETATM 1843 O HOH 52 -4.614 -0.437 -29.580 1.00 27.14 O HETATM 1844 O HOH 53 17.605 -25.345 -11.254 1.00 35.61 O HETATM 1845 O HOH 54 -1.486 1.602 -32.144 1.00 25.11 O HETATM 1846 O HOH 55 3.038 2.560 -36.608 1.00 42.05 O HETATM 1847 O HOH 56 22.335 -8.088 -10.498 1.00 45.06 O HETATM 1848 O HOH 57 17.122 3.353 5.920 1.00 24.43 O HETATM 1849 O HOH 58 23.383 -22.011 -15.004 1.00 55.71 O HETATM 1850 O HOH 59 22.855 -12.307 -12.831 1.00 31.74 O HETATM 1851 O HOH 60 -6.840 -9.163 5.181 1.00 39.56 O HETATM 1852 O HOH 61 -0.708 1.356 -34.480 1.00 33.25 O HETATM 1853 O HOH 62 -0.424 -21.866 -0.062 1.00 18.49 O HETATM 1854 O HOH 63 20.402 -3.634 0.695 1.00 28.48 O HETATM 1855 O HOH 64 18.607 -17.451 -9.962 1.00 18.90 O HETATM 1856 O HOH 65 -2.449 -28.564 -1.578 1.00 28.00 O HETATM 1857 O HOH 66 8.016 -4.459 7.778 1.00 35.80 O HETATM 1858 O HOH 67 -12.642 -27.795 -14.431 1.00 26.88 O HETATM 1859 O HOH 68 -2.200 -26.373 -21.869 1.00 20.75 O HETATM 1860 O HOH 69 6.390 0.907 -36.325 1.00 30.82 O HETATM 1861 O HOH 70 10.071 -8.805 10.201 1.00 37.34 O HETATM 1862 O HOH 71 -12.075 -21.726 -15.378 1.00 40.90 O HETATM 1863 O HOH 72 8.671 -6.092 -30.271 1.00 51.03 O HETATM 1864 O HOH 73 11.770 -7.950 10.416 1.00 46.86 O HETATM 1865 O HOH 74 -11.951 -25.853 -12.241 1.00 32.67 O HETATM 1866 O HOH 75 8.321 -1.146 -22.551 1.00 26.27 O HETATM 1867 O HOH 76 9.548 -6.138 -24.004 1.00 46.40 O HETATM 1868 O HOH 77 10.523 -2.165 -24.487 1.00 30.55 O HETATM 1869 O HOH 78 18.660 -19.324 -6.140 1.00 38.56 O HETATM 1870 O HOH 79 -0.136 3.634 -30.932 1.00 28.72 O HETATM 1871 O HOH 80 18.028 -25.589 -8.481 1.00 51.10 O HETATM 1872 O HOH 81 13.469 3.107 13.343 1.00 58.87 O HETATM 1873 O HOH 82 19.158 -28.054 6.650 1.00 39.25 O HETATM 1874 O HOH 83 17.732 7.343 -27.346 1.00 47.41 O HETATM 1875 O HOH 84 -3.836 2.113 -32.744 1.00 51.24 O HETATM 1876 O HOH 85 -1.449 5.241 -29.018 1.00 21.65 O HETATM 1877 O HOH 86 -0.901 7.116 -12.747 1.00 29.50 O HETATM 1878 O HOH 87 -2.942 1.455 -18.744 1.00 39.59 O HETATM 1879 O HOH 88 -1.214 -32.459 -1.824 1.00 37.18 O HETATM 1880 O HOH 89 6.336 -34.759 -11.305 1.00 37.49 O HETATM 1881 O HOH 90 3.909 -29.533 -4.760 1.00 33.20 O HETATM 1882 O HOH 91 -9.879 -14.120 -8.818 1.00 36.77 O HETATM 1883 O HOH 92 -0.546 -26.234 -24.073 1.00 23.14 O HETATM 1884 O HOH 93 7.607 -1.084 -34.845 1.00 19.75 O HETATM 1885 O HOH 94 4.625 8.917 -14.110 1.00 24.30 O HETATM 1886 O HOH 95 -4.929 -5.261 0.857 1.00 43.48 O HETATM 1887 O HOH 96 19.360 2.605 4.211 1.00 24.41 O HETATM 1888 O HOH 97 -7.155 -10.570 -10.312 1.00 38.52 O HETATM 1889 O HOH 98 18.521 -29.962 5.073 1.00 42.51 O HETATM 1890 O HOH 99 18.750 -29.617 8.949 1.00 36.62 O HETATM 1891 O HOH 100 7.064 -27.567 -12.467 1.00 18.05 O HETATM 1892 O HOH 101 -4.986 -14.697 -29.023 1.00 42.59 O HETATM 1893 O HOH 102 12.011 5.794 6.322 1.00 45.58 O HETATM 1894 O HOH 103 3.380 -5.945 3.451 1.00 23.76 O HETATM 1895 O HOH 104 15.688 -24.223 -2.807 1.00 29.72 O HETATM 1896 O HOH 105 7.148 -10.441 0.483 1.00 11.67 O HETATM 1897 O HOH 106 -1.754 -15.008 -22.562 1.00 13.41 O HETATM 1898 O HOH 107 15.712 0.750 3.488 1.00 15.45 O HETATM 1899 O HOH 108 12.945 -11.443 -2.027 1.00 12.51 O HETATM 1900 O HOH 109 3.334 3.063 2.494 1.00 50.46 O HETATM 1901 O HOH 110 10.372 0.920 7.977 1.00 20.51 O HETATM 1902 O HOH 111 10.408 -24.163 -7.276 1.00 14.45 O HETATM 1903 O HOH 112 6.024 -12.863 -27.873 1.00 18.49 O HETATM 1904 O HOH 113 10.520 -5.510 -1.924 1.00 11.02 O HETATM 1905 O HOH 114 2.236 -13.391 -23.416 1.00 13.38 O HETATM 1906 O HOH 115 6.000 -4.719 -17.560 1.00 15.25 O HETATM 1907 O HOH 116 -0.947 -14.343 -15.036 1.00 12.00 O HETATM 1908 O HOH 117 7.814 -12.419 6.203 1.00 19.79 O HETATM 1909 O HOH 118 7.610 -13.311 3.638 1.00 14.59 O HETATM 1910 O HOH 119 0.734 -14.645 -34.174 1.00 26.28 O HETATM 1911 O HOH 120 15.006 -14.605 -16.266 1.00 16.10 O HETATM 1912 O HOH 121 14.080 -12.762 -5.559 1.00 16.68 O HETATM 1913 O HOH 122 16.714 -18.920 -8.087 1.00 19.17 O HETATM 1914 O HOH 123 8.512 -4.650 -16.412 1.00 16.76 O HETATM 1915 O HOH 124 5.484 -11.111 5.548 1.00 21.42 O HETATM 1916 O HOH 125 7.864 -11.300 -24.656 1.00 18.96 O HETATM 1917 O HOH 126 15.043 -1.803 4.089 1.00 13.30 O HETATM 1918 O HOH 127 -0.264 -1.065 -15.534 1.00 15.59 O HETATM 1919 O HOH 128 2.122 -8.045 -31.381 1.00 18.54 O HETATM 1920 O HOH 129 12.427 -17.410 -16.373 1.00 15.15 O HETATM 1921 O HOH 130 2.789 5.253 -8.514 1.00 28.04 O HETATM 1922 O HOH 131 15.431 -10.574 -0.810 1.00 12.68 O HETATM 1923 O HOH 132 -0.617 -19.758 -28.082 1.00 30.68 O HETATM 1924 O HOH 133 9.144 -10.368 7.529 1.00 24.67 O HETATM 1925 O HOH 134 6.226 -21.049 -15.548 1.00 14.04 O HETATM 1926 O HOH 135 -3.395 -4.009 -24.289 1.00 17.89 O HETATM 1927 O HOH 136 -2.553 0.325 -9.645 1.00 28.06 O HETATM 1928 O HOH 137 3.540 -22.739 -24.304 1.00 22.87 O HETATM 1929 O HOH 138 9.778 -23.444 -15.901 1.00 20.69 O HETATM 1930 O HOH 139 13.127 -0.176 -13.535 1.00 21.27 O HETATM 1931 O HOH 140 -2.736 -16.832 -29.144 1.00 27.77 O HETATM 1932 O HOH 141 -5.181 -5.403 -17.438 1.00 21.53 O HETATM 1933 O HOH 142 -5.809 -15.971 -26.297 1.00 25.37 O HETATM 1934 O HOH 143 -6.378 -7.078 -32.164 1.00 32.06 O HETATM 1935 O HOH 144 16.017 2.209 -2.929 1.00 22.15 O HETATM 1936 O HOH 145 12.302 -18.238 -20.066 1.00 35.36 O HETATM 1937 O HOH 146 -1.841 -0.195 -2.235 1.00 23.39 O HETATM 1938 O HOH 147 16.318 -6.604 -14.334 1.00 28.36 O HETATM 1939 O HOH 148 15.997 -3.875 -14.021 1.00 26.42 O HETATM 1940 O HOH 149 -3.856 0.494 -7.400 1.00 40.20 O HETATM 1941 O HOH 150 15.429 4.194 3.257 1.00 29.17 O HETATM 1942 O HOH 151 14.025 -2.486 -12.508 1.00 17.00 O HETATM 1943 O HOH 152 4.337 -6.913 -32.430 1.00 33.28 O HETATM 1944 O HOH 153 -2.486 -2.297 -14.292 1.00 20.86 O HETATM 1945 O HOH 154 -2.691 -1.749 -25.619 1.00 16.91 O HETATM 1946 O HOH 155 -6.161 -4.630 -24.320 1.00 35.04 O HETATM 1947 O HOH 156 13.738 -25.153 -13.897 1.00 26.51 O HETATM 1948 O HOH 157 1.014 -23.834 -24.917 1.00 27.96 O HETATM 1949 O HOH 158 11.005 -24.637 -13.523 1.00 21.13 O HETATM 1950 O HOH 159 1.465 -15.579 -31.742 1.00 29.43 O HETATM 1951 O HOH 160 -3.232 -4.765 -34.049 1.00 24.14 O HETATM 1952 O HOH 161 17.200 -2.401 -3.927 1.00 29.51 O HETATM 1953 O HOH 162 6.520 -15.381 -28.896 1.00 27.70 O HETATM 1954 O HOH 163 -3.836 -2.751 -0.601 1.00 33.32 O HETATM 1955 O HOH 164 17.055 2.824 -0.149 1.00 37.70 O HETATM 1956 O HOH 165 -0.397 -17.614 -30.979 1.00 34.87 O HETATM 1957 O HOH 166 16.144 -23.867 -13.656 1.00 26.26 O HETATM 1958 O HOH 167 -11.053 -20.913 -21.433 1.00 31.40 O HETATM 1959 O HOH 168 5.697 -17.758 -27.693 1.00 25.21 O HETATM 1960 O HOH 169 14.242 7.155 0.614 1.00 38.20 O HETATM 1961 O HOH 170 6.399 -25.875 -19.256 1.00 30.09 O HETATM 1962 O HOH 171 -1.755 -1.201 -17.983 1.00 27.58 O HETATM 1963 O HOH 172 -3.884 1.266 -2.883 1.00 43.25 O HETATM 1964 O HOH 173 7.828 -27.471 -15.253 1.00 33.85 O HETATM 1965 O HOH 174 9.481 -27.972 -8.784 1.00 26.30 O HETATM 1966 O HOH 175 -2.553 -0.401 -23.017 1.00 27.05 O HETATM 1967 O HOH 176 16.266 -3.508 -6.630 1.00 29.38 O HETATM 1968 O HOH 177 5.829 -8.381 5.170 1.00 27.37 O HETATM 1969 O HOH 178 -9.895 -12.158 -20.823 1.00 29.81 O HETATM 1970 O HOH 179 18.928 -19.991 -16.440 1.00 44.36 O HETATM 1971 O HOH 180 -9.345 -13.650 -24.427 1.00 35.86 O HETATM 1972 O HOH 181 3.843 -3.700 -32.994 1.00 25.98 O HETATM 1973 O HOH 182 -1.727 3.768 -10.483 1.00 34.04 O HETATM 1974 O HOH 183 -8.403 -15.525 -26.053 1.00 35.44 O HETATM 1975 O HOH 184 15.070 -7.402 -16.683 1.00 25.30 O HETATM 1976 O HOH 185 -1.699 -6.631 -35.745 1.00 24.48 O HETATM 1977 O HOH 186 6.433 -16.019 9.417 1.00 52.13 O HETATM 1978 O HOH 187 -9.595 -22.466 -24.414 1.00 45.59 O HETATM 1979 O HOH 188 14.434 -5.115 -18.636 1.00 32.87 O HETATM 1980 O HOH 189 -8.889 -10.853 -18.329 1.00 36.18 O HETATM 1981 O HOH 190 15.717 -15.466 -20.482 1.00 37.02 O HETATM 1982 O HOH 191 -5.252 -7.098 -35.952 1.00 37.71 O HETATM 1983 O HOH 192 16.494 -8.898 -18.244 1.00 32.09 O HETATM 1984 O HOH 193 -0.540 -22.433 -26.700 1.00 30.19 O HETATM 1985 O HOH 194 12.926 -20.492 -18.899 1.00 36.25 O HETATM 1986 O HOH 195 9.727 -19.499 -21.353 1.00 33.65 O HETATM 1987 O HOH 196 -7.212 -6.057 -19.115 1.00 27.47 O HETATM 1988 O HOH 197 9.891 1.731 -19.571 1.00 40.33 O HETATM 1989 O HOH 198 -3.518 -0.871 -11.986 1.00 37.32 O HETATM 1990 O HOH 199 -7.030 -3.047 -26.489 1.00 35.11 O HETATM 1991 O HOH 200 13.540 -25.176 -16.876 1.00 43.90 O HETATM 1992 O HOH 201 -6.211 -1.063 -0.045 1.00 43.61 O HETATM 1993 O HOH 202 9.397 -25.569 0.580 1.00 44.08 O HETATM 1994 O HOH 203 11.683 -5.351 -19.456 1.00 26.13 O HETATM 1995 O HOH 204 0.689 5.663 1.068 1.00 42.15 O HETATM 1996 O HOH 205 -11.176 -9.778 -21.959 1.00 49.45 O HETATM 1997 O HOH 206 5.383 -28.107 -20.421 1.00 36.51 O HETATM 1998 O HOH 207 15.992 4.406 -4.278 1.00 39.61 O HETATM 1999 O HOH 208 -7.111 -12.568 -11.338 1.00 40.73 O HETATM 2000 O HOH 209 4.145 -22.041 -26.891 1.00 29.72 O HETATM 2001 O HOH 210 0.755 -1.574 -35.736 1.00 39.48 O HETATM 2002 O HOH 211 -4.074 -2.595 -17.238 1.00 31.89 O HETATM 2003 O HOH 212 8.533 -25.655 -16.914 1.00 31.61 O HETATM 2004 O HOH 213 8.574 -29.396 -11.057 1.00 41.63 O HETATM 2005 O HOH 214 2.952 -14.952 -36.074 1.00 45.18 O HETATM 2006 O HOH 215 8.186 -30.071 -16.051 1.00 45.56 O HETATM 2007 O HOH 216 -5.382 -1.409 -4.706 1.00 36.91 O HETATM 2008 O HOH 217 17.819 0.091 -3.266 1.00 30.94 O HETATM 2009 O HOH 218 -3.276 -20.484 -29.228 1.00 43.69 O HETATM 2010 O HOH 219 13.656 -16.947 -22.304 1.00 39.65 O HETATM 2011 O HOH 220 5.083 -25.050 -24.686 1.00 32.46 O HETATM 2012 O HOH 221 -11.640 -18.284 -18.064 1.00 53.67 O HETATM 2013 O HOH 222 -9.421 -14.971 -28.743 1.00 45.94 O HETATM 2014 O HOH 223 2.090 5.316 -5.723 1.00 38.12 O HETATM 2015 O HOH 224 3.369 4.706 -3.248 1.00 47.47 O HETATM 2016 O HOH 225 11.629 -26.569 -7.394 1.00 26.36 O HETATM 2017 O HOH 226 -9.814 -11.725 -26.231 1.00 40.51 O HETATM 2018 O HOH 227 11.790 -22.756 -17.903 1.00 26.77 O HETATM 2019 O HOH 228 -5.072 -1.173 -26.816 1.00 23.20 O HETATM 2020 O HOH 229 10.261 -27.223 -13.478 1.00 30.03 O HETATM 2021 O HOH 230 3.469 -27.643 -24.936 1.00 38.93 O HETATM 2022 O HOH 231 13.014 -14.815 -23.939 1.00 41.17 O HETATM 2023 O HOH 232 7.821 -26.628 -4.184 1.00 32.58 O HETATM 2024 O HOH 233 -3.435 -5.802 3.981 1.00 28.22 O HETATM 2025 O HOH 234 12.621 -22.258 4.649 1.00 33.02 O HETATM 2026 O HOH 235 6.456 4.094 -3.079 1.00 44.48 O HETATM 2027 O HOH 236 2.072 -28.325 -6.504 1.00 19.36 O HETATM 2028 O HOH 237 -8.921 -10.251 -13.965 1.00 38.99 O HETATM 2029 O HOH 238 -3.549 2.193 -5.529 1.00 38.36 O HETATM 2030 O HOH 239 -9.293 -14.276 -13.008 1.00 37.60 O HETATM 2031 O HOH 240 -0.878 -2.033 5.102 1.00 33.88 O HETATM 2032 O HOH 241 14.114 -27.386 -6.775 1.00 46.49 O HETATM 2033 O HOH 242 6.685 3.377 4.737 1.00 36.54 O HETATM 2034 O HOH 243 6.743 -13.562 8.483 1.00 42.96 O HETATM 2035 O HOH 244 9.945 5.316 6.877 1.00 49.44 O HETATM 2036 O HOH 245 -8.348 -9.013 -25.474 1.00 34.89 O HETATM 2037 O HOH 246 7.455 -3.317 -20.354 1.00 38.51 O HETATM 2038 O HOH 247 -8.665 -7.392 -27.754 1.00 46.84 O HETATM 2039 O HOH 248 3.412 -5.068 6.015 1.00 31.65 O HETATM 2040 O HOH 249 1.842 -3.040 6.787 1.00 39.39 O HETATM 2041 O HOH 250 8.593 -11.668 -27.220 1.00 40.71 O HETATM 2042 O HOH 251 8.562 -25.160 -2.031 1.00 21.85 O HETATM 2043 O HOH 252 10.615 5.723 -9.133 1.00 41.02 O HETATM 2044 O HOH 253 -5.323 -4.043 -10.636 1.00 51.72 O HETATM 2045 O HOH 254 -5.423 -1.661 -22.245 1.00 36.82 O HETATM 2046 O HOH 255 -1.236 -4.858 -37.842 1.00 40.49 O HETATM 2047 O HOH 256 13.155 6.006 4.357 1.00 47.88 O HETATM 2048 O HOH 257 9.251 -15.274 -29.058 1.00 48.96 O HETATM 2049 O HOH 258 11.860 -12.269 -24.151 1.00 35.99 O HETATM 2050 O HOH 259 14.587 -11.442 -23.525 1.00 46.64 O HETATM 2051 O HOH 260 16.899 -22.638 -17.703 1.00 39.59 O HETATM 2052 O HOH 261 -4.526 -16.796 -32.285 1.00 34.12 O HETATM 2053 O HOH 262 10.710 -8.306 -22.855 1.00 41.11 O HETATM 2054 O HOH 263 15.545 -3.075 -16.753 1.00 42.84 O HETATM 2055 O HOH 264 12.266 2.848 -12.704 1.00 43.63 O HETATM 2056 O HOH 265 4.155 -9.741 -34.590 1.00 40.34 O HETATM 2057 O HOH 266 11.045 -5.767 -22.144 1.00 44.96 O HETATM 2058 O HOH 267 0.042 -28.744 3.162 1.00 39.24 O HETATM 2059 O HOH 268 13.815 -1.587 -19.596 1.00 47.37 O HETATM 2060 O HOH 269 19.223 -6.677 -14.753 1.00 45.65 O HETATM 2061 O HOH 270 -7.423 -5.151 -28.344 1.00 46.32 O HETATM 2062 O HOH 271 -3.550 -3.062 2.561 1.00 43.54 O HETATM 2063 O HOH 272 -6.268 -18.493 -29.744 1.00 48.20 O HETATM 2064 O HOH 273 14.111 2.967 -20.626 1.00 40.95 O HETATM 2065 O HOH 274 -6.297 -3.204 -32.944 1.00 46.58 O HETATM 2066 O HOH 275 -6.497 -5.941 -15.065 1.00 25.57 O HETATM 2067 O HOH 276 19.164 -4.786 -8.909 1.00 39.48 O HETATM 2068 O HOH 277 16.327 -0.096 -22.293 1.00 52.39 O HETATM 2069 O HOH 278 -10.460 -9.528 -24.435 1.00 43.96 O HETATM 2070 O HOH 279 6.525 -5.949 -36.195 1.00 46.14 O HETATM 2071 O HOH 280 -5.968 -1.656 -19.968 1.00 44.15 O HETATM 2072 O HOH 281 11.898 0.793 -22.176 1.00 36.62 O HETATM 2073 O HOH 282 5.327 -28.020 -22.647 1.00 44.52 O HETATM 2074 O HOH 283 -8.756 -3.637 -18.542 1.00 46.56 O HETATM 2075 O HOH 284 -5.567 -7.168 -12.977 1.00 22.98 O HETATM 2076 O HOH 285 -8.720 -8.078 -18.294 1.00 36.21 O HETATM 2077 O HOH 286 -9.630 -6.023 -11.832 1.00 54.29 O HETATM 2078 O HOH 287 -7.275 -8.120 -11.329 1.00 34.34 O HETATM 2079 O HOH 288 10.122 -3.437 -19.802 1.00 34.62 O HETATM 2080 O HOH 289 4.175 -15.684 -31.604 1.00 37.81 O HETATM 2081 O HOH 290 -4.810 3.057 -0.856 1.00 48.99 O HETATM 2082 O HOH 291 7.774 -19.448 -27.783 1.00 38.83 O HETATM 2083 O HOH 292 15.557 6.554 -1.989 1.00 46.86 O HETATM 2084 O HOH 293 5.649 -28.045 -3.439 1.00 36.07 O HETATM 2085 O HOH 294 6.511 -0.516 8.907 1.00 41.85 O HETATM 2086 O HOH 295 -8.782 -7.137 -15.729 1.00 45.84 O HETATM 2087 O HOH 296 12.630 7.895 -3.158 1.00 41.23 O HETATM 2088 OAQ UNN A 297 17.491 -6.585 -1.177 1.00 -0.48 O HETATM 2089 SAN UNN A 297 18.416 -5.657 -1.803 1.00 -0.19 S HETATM 2090 OAO UNN A 297 19.719 -5.825 -1.183 1.00 -0.48 O HETATM 2091 OAP UNN A 297 17.897 -4.262 -1.676 1.00 -0.48 O HETATM 2092 CAM UNN A 297 18.476 -6.025 -3.433 1.00 0.04 C HETATM 2093 CAL UNN A 297 19.143 -7.414 -3.593 1.00 0.03 C HETATM 2094 SAK UNN A 297 18.916 -8.172 -5.179 1.00 -0.09 S HETATM 2095 CAB UNN A 297 17.282 -8.647 -4.898 1.00 0.04 C HETATM 2096 CAC UNN A 297 16.896 -9.767 -4.122 1.00 -0.01 C HETATM 2097 CAD UNN A 297 15.571 -10.177 -4.044 1.00 0.09 C HETATM 2098 OAI UNN A 297 15.275 -11.332 -3.407 1.00 -0.33 O HETATM 2099 H UNN A 297 15.722 -12.052 -3.836 1.00 0.25 H HETATM 2100 CAE UNN A 297 14.496 -9.538 -4.676 1.00 0.01 C HETATM 2101 CAF UNN A 297 14.901 -8.363 -5.368 1.00 0.16 C HETATM 2102 FAH UNN A 297 13.960 -7.701 -6.055 1.00 -0.18 F HETATM 2103 CAA UNN A 297 16.232 -7.942 -5.509 1.00 0.13 C HETATM 2104 CAG UNN A 297 16.499 -6.838 -6.218 1.00 0.08 C HETATM 2105 NAJ UNN A 297 16.722 -5.907 -6.827 1.00 -0.35 N HETATM 2106 H UNN A 297 13.474 -9.898 -4.642 1.00 0.05 H HETATM 2107 H UNN A 297 17.653 -10.318 -3.575 1.00 0.05 H HETATM 2108 H UNN A 297 18.722 -8.085 -2.830 1.00 0.04 H HETATM 2109 H UNN A 297 20.223 -7.296 -3.422 1.00 0.04 H HETATM 2110 H UNN A 297 19.067 -5.265 -3.965 1.00 0.05 H HETATM 2111 H UNN A 297 17.457 -6.052 -3.846 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2088 2089 CONECT 2089 2088 2090 2091 2092 CONECT 2090 2089 CONECT 2091 2089 CONECT 2092 2089 2093 2110 2111 CONECT 2093 2092 2094 2108 2109 CONECT 2094 2093 2095 CONECT 2095 2094 2096 2103 CONECT 2096 2095 2097 2107 CONECT 2097 2096 2098 2100 CONECT 2098 2097 2099 CONECT 2099 2098 CONECT 2100 2097 2101 2106 CONECT 2101 2100 2102 2103 CONECT 2102 2101 CONECT 2103 2095 2101 2104 CONECT 2104 2103 2105 CONECT 2105 2104 CONECT 2106 2100 CONECT 2107 2096 CONECT 2108 2093 CONECT 2109 2093 CONECT 2110 2092 CONECT 2111 2092 MASTER 0 0 0 0 0 0 0 0 2110 1 28 14 END
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Structure:
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Related entries of code: 4wh9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4wh7
RCSB PDB
PDBbind
183aa, >4WH7_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4wh9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M-phase inducer phosphatase 2 CDC25B
Ligand Name
3M8
EC.Number
E.C.3.1.3.48
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=1mM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Acs Chem.Biol.Vol.10: pp.390-394
Ligand Properties
Formula
C
9
H
1
0
FNO
4
S
2
Molecular Weight
279.308
Exact Mass
279.004
No. of atoms
27
No. of bonds
27
Polar Surface Area
155.31
LOGP Value
0.86 (
Computed with XLOGP3
)
2.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
N#Cc1c(SCCS(O)(O)O)cc(cc1F)O
InChI String
InChI=1S/C9H10FNO4S2/c10-8-3-6(12)4-9(7(8)5-11)16-1-2-17(13,14)15/h3-4,12-15H,1-2H2
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):
P30305
Entrez Gene ID
NCBI Entrez Gene ID:
994
ASD
Information of known allosteric effects of PDB entries
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