Browse entries in the PDBbind-CN Database
HEADER 6NPP_COMPLEX COMPND 6NPP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 SER HIS MET GLY GLN GLY GLY SER ASN PRO LYS PHE GLU SEQRES 2 A 141 ASN ILE ALA GLU GLY LEU ARG ALA LEU LEU ALA ARG SER SEQRES 3 A 141 HIS VAL GLU ARG THR THR ASP GLU GLY THR TRP VAL ALA SEQRES 4 A 141 GLY VAL PHE VAL TYR GLY GLY SER LYS THR SER LEU TYR SEQRES 5 A 141 ASN LEU ARG ARG GLY THR ALA LEU ALA ILE PRO GLN CYS SEQRES 6 A 141 ARG LEU THR PRO LEU SER ARG LEU PRO PHE GLY MET ALA SEQRES 7 A 141 PRO GLY PRO GLY PRO GLN PRO GLY PRO LEU ARG GLU SER SEQRES 8 A 141 ILE VAL CYS TYR PHE MET VAL PHE LEU GLN THR HIS ILE SEQRES 9 A 141 PHE ALA GLU VAL LEU LYS ASP ALA ILE LYS ASP LEU VAL SEQRES 10 A 141 MET THR LYS PRO ALA PRO THR CYS ASN ILE ARG VAL THR SEQRES 11 A 141 VAL CYS SER PHE ASP ASP GLY VAL ASP LEU PRO SEQRES 1 B 134 SER ASN PRO LYS PHE GLU ASN ILE ALA GLU GLY LEU ARG SEQRES 2 B 134 ALA LEU LEU ALA ARG SER HIS VAL GLU ARG THR THR ASP SEQRES 3 B 134 GLU GLY THR TRP VAL ALA GLY VAL PHE VAL TYR GLY GLY SEQRES 4 B 134 SER LYS THR SER LEU TYR ASN LEU ARG ARG GLY THR ALA SEQRES 5 B 134 LEU ALA ILE PRO GLN CYS ARG LEU THR PRO LEU SER ARG SEQRES 6 B 134 LEU PRO PHE GLY MET ALA PRO GLY PRO GLY PRO GLN PRO SEQRES 7 B 134 GLY PRO LEU ARG GLU SER ILE VAL CYS TYR PHE MET VAL SEQRES 8 B 134 PHE LEU GLN THR HIS ILE PHE ALA GLU VAL LEU LYS ASP SEQRES 9 B 134 ALA ILE LYS ASP LEU VAL MET THR LYS PRO ALA PRO THR SEQRES 10 B 134 CYS ASN ILE ARG VAL THR VAL CYS SER PHE ASP ASP GLY SEQRES 11 B 134 VAL ASP LEU PRO HET KWG A 761 34 ATOM 1 N SER A 467 -8.024 9.917 21.150 1.00 24.96 N ATOM 2 CA SER A 467 -8.455 8.999 20.087 1.00 24.72 C ATOM 3 C SER A 467 -9.980 8.972 20.003 1.00 24.45 C ATOM 4 O SER A 467 -10.671 9.199 21.002 1.00 26.29 O ATOM 5 CB SER A 467 -7.922 7.586 20.348 1.00 38.14 C ATOM 6 OG SER A 467 -6.506 7.555 20.266 1.00 41.63 O ATOM 7 HG SER A 467 -6.124 8.169 20.942 1.00 0.00 H ATOM 8 HN3 SER A 467 -8.411 9.597 22.061 1.00 0.00 H ATOM 9 HN2 SER A 467 -8.372 10.875 20.941 1.00 0.00 H ATOM 10 HN1 SER A 467 -6.985 9.927 21.198 1.00 0.00 H ATOM 11 N HIS A 468 -10.516 8.659 18.827 1.00 27.05 N ATOM 12 CA HIS A 468 -11.963 8.650 18.669 1.00 27.81 C ATOM 13 C HIS A 468 -12.612 7.551 19.511 1.00 23.14 C ATOM 14 O HIS A 468 -12.065 6.454 19.668 1.00 23.46 O ATOM 15 CB HIS A 468 -12.345 8.448 17.209 1.00 26.41 C ATOM 16 CG HIS A 468 -13.797 8.138 17.015 1.00 29.87 C ATOM 17 ND1 HIS A 468 -14.291 6.850 16.988 1.00 35.62 N ATOM 18 CD2 HIS A 468 -14.867 8.956 16.878 1.00 27.92 C ATOM 19 CE1 HIS A 468 -15.603 6.889 16.812 1.00 26.15 C ATOM 20 NE2 HIS A 468 -15.972 8.154 16.734 1.00 31.22 N ATOM 21 H HIS A 468 -9.903 8.421 18.022 1.00 0.00 H ATOM 22 N MET A 469 -13.806 7.850 20.029 1.00 20.66 N ATOM 23 CA MET A 469 -14.583 6.936 20.857 1.00 18.60 C ATOM 24 C MET A 469 -16.011 6.903 20.347 1.00 19.85 C ATOM 25 O MET A 469 -16.641 7.954 20.178 1.00 22.93 O ATOM 26 CB MET A 469 -14.553 7.424 22.310 1.00 26.68 C ATOM 27 CG MET A 469 -15.187 6.479 23.296 1.00 29.75 C ATOM 28 SD MET A 469 -14.503 4.830 23.167 1.00 25.29 S ATOM 29 CE MET A 469 -13.151 5.008 24.350 1.00 36.75 C ATOM 30 H MET A 469 -14.205 8.790 19.830 1.00 0.00 H ATOM 31 N GLY A 470 -16.526 5.706 20.092 1.00 16.37 N ATOM 32 CA GLY A 470 -17.893 5.539 19.649 1.00 16.26 C ATOM 33 C GLY A 470 -18.927 5.860 20.721 1.00 16.49 C ATOM 34 O GLY A 470 -18.625 6.129 21.887 1.00 17.16 O ATOM 35 H GLY A 470 -15.929 4.863 20.214 1.00 0.00 H ATOM 36 N GLN A 471 -20.188 5.806 20.299 1.00 16.31 N ATOM 37 CA GLN A 471 -21.301 6.119 21.192 1.00 16.78 C ATOM 38 C GLN A 471 -21.264 5.225 22.420 1.00 17.41 C ATOM 39 O GLN A 471 -21.135 3.999 22.320 1.00 17.50 O ATOM 40 CB GLN A 471 -22.627 5.930 20.463 1.00 17.82 C ATOM 41 CG GLN A 471 -23.893 5.896 21.365 1.00 20.74 C ATOM 42 CD GLN A 471 -24.213 7.220 22.078 1.00 26.71 C ATOM 43 OE1 GLN A 471 -24.545 7.251 23.279 1.00 26.29 O ATOM 44 NE2 GLN A 471 -24.129 8.310 21.344 1.00 19.58 N ATOM 45 HE22 GLN A 471 -23.848 8.244 20.345 1.00 0.00 H ATOM 46 HE21 GLN A 471 -24.343 9.237 21.764 1.00 0.00 H ATOM 47 H GLN A 471 -20.385 5.536 19.314 1.00 0.00 H ATOM 48 N GLY A 472 -21.412 5.842 23.582 1.00 18.04 N ATOM 49 CA GLY A 472 -21.407 5.085 24.796 1.00 18.81 C ATOM 50 C GLY A 472 -20.042 4.680 25.284 1.00 19.31 C ATOM 51 O GLY A 472 -19.966 3.866 26.201 1.00 20.10 O ATOM 52 H GLY A 472 -21.532 6.875 23.612 1.00 0.00 H ATOM 53 N GLY A 473 -18.968 5.201 24.699 1.00 19.03 N ATOM 54 CA GLY A 473 -17.649 4.970 25.262 1.00 19.80 C ATOM 55 C GLY A 473 -16.966 3.686 24.830 1.00 19.81 C ATOM 56 O GLY A 473 -16.129 3.157 25.566 1.00 24.00 O ATOM 57 H GLY A 473 -19.072 5.774 23.838 1.00 0.00 H ATOM 58 N SER A 474 -17.266 3.188 23.641 1.00 18.93 N ATOM 59 CA SER A 474 -16.612 1.982 23.158 1.00 19.83 C ATOM 60 C SER A 474 -16.566 2.017 21.641 1.00 18.15 C ATOM 61 O SER A 474 -17.395 2.667 20.989 1.00 17.39 O ATOM 62 CB SER A 474 -17.348 0.721 23.644 1.00 27.08 C ATOM 63 OG SER A 474 -18.560 0.531 22.932 1.00 48.67 O ATOM 64 HG SER A 474 -18.362 0.431 21.967 1.00 0.00 H ATOM 65 H SER A 474 -17.975 3.663 23.047 1.00 0.00 H ATOM 66 N ASN A 475 -15.599 1.292 21.088 1.00 16.64 N ATOM 67 CA ASN A 475 -15.543 1.023 19.660 1.00 15.98 C ATOM 68 C ASN A 475 -15.693 -0.468 19.383 1.00 15.27 C ATOM 69 O ASN A 475 -15.337 -1.311 20.214 1.00 18.66 O ATOM 70 CB ASN A 475 -14.191 1.449 19.066 1.00 16.30 C ATOM 71 CG ASN A 475 -13.839 2.878 19.352 1.00 17.36 C ATOM 72 OD1 ASN A 475 -14.662 3.781 19.222 1.00 19.56 O ATOM 73 ND2 ASN A 475 -12.589 3.098 19.760 1.00 23.97 N ATOM 74 HD22 ASN A 475 -11.926 2.303 19.856 1.00 0.00 H ATOM 75 HD21 ASN A 475 -12.277 4.065 19.982 1.00 0.00 H ATOM 76 H ASN A 475 -14.854 0.902 21.700 1.00 0.00 H ATOM 77 N PRO A 476 -16.133 -0.836 18.171 1.00 17.60 N ATOM 78 CA PRO A 476 -16.134 -2.248 17.781 1.00 19.02 C ATOM 79 C PRO A 476 -14.739 -2.854 17.793 1.00 17.92 C ATOM 80 O PRO A 476 -13.729 -2.175 17.551 1.00 15.58 O ATOM 81 CB PRO A 476 -16.676 -2.227 16.345 1.00 22.66 C ATOM 82 CG PRO A 476 -17.215 -0.870 16.098 1.00 32.11 C ATOM 83 CD PRO A 476 -16.634 0.067 17.120 1.00 18.51 C ATOM 84 N LYS A 477 -14.697 -4.169 18.019 1.00 18.11 N ATOM 85 CA LYS A 477 -13.420 -4.854 18.147 1.00 18.78 C ATOM 86 C LYS A 477 -12.555 -4.655 16.908 1.00 17.48 C ATOM 87 O LYS A 477 -11.340 -4.463 17.019 1.00 15.34 O ATOM 88 CB LYS A 477 -13.635 -6.341 18.454 1.00 22.16 C ATOM 89 CG LYS A 477 -13.797 -6.642 19.950 1.00 29.83 C ATOM 90 CD LYS A 477 -13.677 -8.128 20.243 1.00 41.91 C ATOM 91 CE LYS A 477 -13.979 -8.441 21.697 1.00 48.24 C ATOM 92 NZ LYS A 477 -15.288 -9.157 21.824 1.00 72.41 N ATOM 93 HZ1 LYS A 477 -16.048 -8.557 21.444 1.00 0.00 H ATOM 94 HZ2 LYS A 477 -15.248 -10.048 21.289 1.00 0.00 H ATOM 95 HZ3 LYS A 477 -15.474 -9.361 22.827 1.00 0.00 H ATOM 96 H LYS A 477 -15.583 -4.707 18.104 1.00 0.00 H ATOM 97 N PHE A 478 -13.157 -4.704 15.713 1.00 17.25 N ATOM 98 CA PHE A 478 -12.353 -4.566 14.505 1.00 14.54 C ATOM 99 C PHE A 478 -11.748 -3.166 14.383 1.00 16.34 C ATOM 100 O PHE A 478 -10.648 -3.024 13.839 1.00 14.38 O ATOM 101 CB PHE A 478 -13.148 -4.991 13.261 1.00 20.31 C ATOM 102 CG PHE A 478 -14.391 -4.212 13.046 1.00 23.02 C ATOM 103 CD1 PHE A 478 -14.355 -3.026 12.349 1.00 26.13 C ATOM 104 CD2 PHE A 478 -15.597 -4.660 13.532 1.00 28.56 C ATOM 105 CE1 PHE A 478 -15.509 -2.285 12.145 1.00 29.45 C ATOM 106 CE2 PHE A 478 -16.752 -3.919 13.337 1.00 34.75 C ATOM 107 CZ PHE A 478 -16.696 -2.726 12.641 1.00 26.06 C ATOM 108 H PHE A 478 -14.186 -4.839 15.647 1.00 0.00 H ATOM 109 N GLU A 479 -12.424 -2.130 14.889 1.00 14.59 N ATOM 110 CA GLU A 479 -11.831 -0.800 14.859 1.00 14.17 C ATOM 111 C GLU A 479 -10.650 -0.717 15.806 1.00 15.77 C ATOM 112 O GLU A 479 -9.643 -0.075 15.499 1.00 14.99 O ATOM 113 CB GLU A 479 -12.874 0.247 15.245 1.00 16.34 C ATOM 114 CG GLU A 479 -13.890 0.531 14.154 1.00 22.88 C ATOM 115 CD GLU A 479 -14.695 1.804 14.418 1.00 40.94 C ATOM 116 OE1 GLU A 479 -14.555 2.413 15.508 1.00 34.58 O ATOM 117 OE2 GLU A 479 -15.468 2.200 13.522 1.00 45.40 O ATOM 118 H GLU A 479 -13.368 -2.273 15.302 1.00 0.00 H ATOM 119 N ASN A 480 -10.770 -1.320 16.983 1.00 14.45 N ATOM 120 CA ASN A 480 -9.664 -1.296 17.929 1.00 12.55 C ATOM 121 C ASN A 480 -8.483 -2.107 17.413 1.00 12.30 C ATOM 122 O ASN A 480 -7.327 -1.736 17.643 1.00 13.61 O ATOM 123 CB ASN A 480 -10.146 -1.803 19.287 1.00 12.54 C ATOM 124 CG ASN A 480 -11.085 -0.828 19.970 1.00 13.67 C ATOM 125 OD1 ASN A 480 -10.975 0.384 19.786 1.00 15.24 O ATOM 126 ND2 ASN A 480 -11.973 -1.346 20.787 1.00 16.50 N ATOM 127 HD22 ASN A 480 -12.028 -2.377 20.909 1.00 0.00 H ATOM 128 HD21 ASN A 480 -12.622 -0.725 21.312 1.00 0.00 H ATOM 129 H ASN A 480 -11.654 -1.809 17.229 1.00 0.00 H ATOM 130 N ILE A 481 -8.742 -3.223 16.732 1.00 13.24 N ATOM 131 CA ILE A 481 -7.666 -3.960 16.076 1.00 12.93 C ATOM 132 C ILE A 481 -6.939 -3.065 15.075 1.00 14.04 C ATOM 133 O ILE A 481 -5.705 -3.031 15.028 1.00 13.50 O ATOM 134 CB ILE A 481 -8.207 -5.246 15.420 1.00 14.53 C ATOM 135 CG1 ILE A 481 -8.529 -6.286 16.494 1.00 19.16 C ATOM 136 CG2 ILE A 481 -7.193 -5.830 14.439 1.00 16.31 C ATOM 137 CD1 ILE A 481 -9.384 -7.427 16.030 1.00 21.76 C ATOM 138 H ILE A 481 -9.720 -3.572 16.667 1.00 0.00 H ATOM 139 N ALA A 482 -7.701 -2.338 14.254 1.00 12.76 N ATOM 140 CA ALA A 482 -7.060 -1.479 13.265 1.00 13.54 C ATOM 141 C ALA A 482 -6.161 -0.451 13.940 1.00 14.29 C ATOM 142 O ALA A 482 -5.048 -0.181 13.467 1.00 13.74 O ATOM 143 CB ALA A 482 -8.129 -0.809 12.396 1.00 13.88 C ATOM 144 H ALA A 482 -8.738 -2.384 14.319 1.00 0.00 H ATOM 145 N GLU A 483 -6.630 0.143 15.033 1.00 12.79 N ATOM 146 CA GLU A 483 -5.808 1.124 15.734 1.00 15.04 C ATOM 147 C GLU A 483 -4.550 0.487 16.317 1.00 14.22 C ATOM 148 O GLU A 483 -3.458 1.085 16.259 1.00 14.21 O ATOM 149 CB GLU A 483 -6.639 1.766 16.842 1.00 19.43 C ATOM 150 CG GLU A 483 -7.437 2.965 16.400 1.00 21.86 C ATOM 151 CD GLU A 483 -6.551 4.044 15.830 1.00 35.65 C ATOM 152 OE1 GLU A 483 -5.801 4.691 16.596 1.00 32.73 O ATOM 153 OE2 GLU A 483 -6.594 4.226 14.606 1.00 24.59 O ATOM 154 H GLU A 483 -7.579 -0.091 15.387 1.00 0.00 H ATOM 155 N GLY A 484 -4.687 -0.698 16.919 1.00 13.35 N ATOM 156 CA GLY A 484 -3.532 -1.396 17.440 1.00 14.32 C ATOM 157 C GLY A 484 -2.516 -1.714 16.359 1.00 12.76 C ATOM 158 O GLY A 484 -1.311 -1.511 16.546 1.00 13.94 O ATOM 159 H GLY A 484 -5.632 -1.122 17.014 1.00 0.00 H ATOM 160 N LEU A 485 -3.002 -2.226 15.221 1.00 11.73 N ATOM 161 CA LEU A 485 -2.082 -2.524 14.126 1.00 11.89 C ATOM 162 C LEU A 485 -1.402 -1.255 13.633 1.00 14.73 C ATOM 163 O LEU A 485 -0.193 -1.248 13.365 1.00 14.10 O ATOM 164 CB LEU A 485 -2.821 -3.224 12.987 1.00 13.92 C ATOM 165 CG LEU A 485 -3.229 -4.681 13.195 1.00 14.56 C ATOM 166 CD1 LEU A 485 -4.094 -5.146 12.010 1.00 17.25 C ATOM 167 CD2 LEU A 485 -2.019 -5.578 13.376 1.00 17.10 C ATOM 168 H LEU A 485 -4.021 -2.409 15.118 1.00 0.00 H ATOM 169 N ARG A 486 -2.161 -0.170 13.478 1.00 13.64 N ATOM 170 CA ARG A 486 -1.551 1.083 13.028 1.00 15.40 C ATOM 171 C ARG A 486 -0.427 1.517 13.961 1.00 16.28 C ATOM 172 O ARG A 486 0.638 1.954 13.508 1.00 15.65 O ATOM 173 CB ARG A 486 -2.611 2.173 12.949 1.00 17.58 C ATOM 174 CG ARG A 486 -3.553 2.048 11.764 1.00 18.57 C ATOM 175 CD ARG A 486 -4.592 3.185 11.733 1.00 33.39 C ATOM 176 NE ARG A 486 -5.679 2.872 10.812 1.00 25.27 N ATOM 177 CZ ARG A 486 -6.959 2.708 11.148 1.00 24.47 C ATOM 178 NH1 ARG A 486 -7.396 2.845 12.397 1.00 23.22 N ATOM 179 NH2 ARG A 486 -7.832 2.414 10.207 1.00 22.11 N ATOM 180 HE ARG A 486 -5.435 2.768 9.807 1.00 0.00 H ATOM 181 HH12 ARG A 486 -8.404 2.708 12.613 1.00 0.00 H ATOM 182 HH11 ARG A 486 -6.730 3.089 13.157 1.00 0.00 H ATOM 183 HH22 ARG A 486 -8.835 2.282 10.450 1.00 0.00 H ATOM 184 HH21 ARG A 486 -7.519 2.313 9.220 1.00 0.00 H ATOM 185 H ARG A 486 -3.181 -0.213 13.676 1.00 0.00 H ATOM 186 N ALA A 487 -0.644 1.422 15.269 1.00 15.54 N ATOM 187 CA ALA A 487 0.394 1.833 16.208 1.00 13.34 C ATOM 188 C ALA A 487 1.647 0.978 16.056 1.00 14.21 C ATOM 189 O ALA A 487 2.773 1.495 16.017 1.00 15.74 O ATOM 190 CB ALA A 487 -0.140 1.748 17.639 1.00 17.14 C ATOM 191 H ALA A 487 -1.551 1.056 15.622 1.00 0.00 H ATOM 192 N LEU A 488 1.480 -0.337 15.976 1.00 14.89 N ATOM 193 CA LEU A 488 2.642 -1.202 15.838 1.00 14.41 C ATOM 194 C LEU A 488 3.349 -0.983 14.508 1.00 12.76 C ATOM 195 O LEU A 488 4.583 -0.899 14.452 1.00 14.53 O ATOM 196 CB LEU A 488 2.207 -2.656 15.959 1.00 14.64 C ATOM 197 CG LEU A 488 1.692 -3.048 17.335 1.00 14.80 C ATOM 198 CD1 LEU A 488 1.082 -4.423 17.357 1.00 16.56 C ATOM 199 CD2 LEU A 488 2.840 -2.938 18.355 1.00 17.67 C ATOM 200 H LEU A 488 0.525 -0.746 16.012 1.00 0.00 H ATOM 201 N LEU A 489 2.588 -0.903 13.421 1.00 12.74 N ATOM 202 CA LEU A 489 3.210 -0.752 12.117 1.00 12.52 C ATOM 203 C LEU A 489 3.898 0.588 11.944 1.00 16.35 C ATOM 204 O LEU A 489 4.812 0.684 11.117 1.00 16.40 O ATOM 205 CB LEU A 489 2.154 -0.948 11.038 1.00 13.46 C ATOM 206 CG LEU A 489 1.530 -2.346 10.964 1.00 16.08 C ATOM 207 CD1 LEU A 489 0.400 -2.367 9.900 1.00 18.49 C ATOM 208 CD2 LEU A 489 2.526 -3.431 10.685 1.00 19.81 C ATOM 209 H LEU A 489 1.552 -0.948 13.504 1.00 0.00 H ATOM 210 N ALA A 490 3.493 1.613 12.696 1.00 14.03 N ATOM 211 CA ALA A 490 4.146 2.912 12.587 1.00 15.26 C ATOM 212 C ALA A 490 5.602 2.837 13.009 1.00 17.95 C ATOM 213 O ALA A 490 6.397 3.711 12.635 1.00 19.76 O ATOM 214 CB ALA A 490 3.403 3.923 13.452 1.00 19.51 C ATOM 215 H ALA A 490 2.706 1.485 13.364 1.00 0.00 H ATOM 216 N ARG A 491 5.967 1.799 13.761 1.00 15.94 N ATOM 217 CA ARG A 491 7.341 1.634 14.196 1.00 16.32 C ATOM 218 C ARG A 491 8.270 1.187 13.078 1.00 16.37 C ATOM 219 O ARG A 491 9.490 1.258 13.249 1.00 17.95 O ATOM 220 CB ARG A 491 7.398 0.602 15.317 1.00 14.92 C ATOM 221 CG ARG A 491 6.626 1.005 16.557 1.00 15.13 C ATOM 222 CD ARG A 491 6.592 -0.143 17.528 1.00 15.58 C ATOM 223 NE ARG A 491 6.138 0.259 18.849 1.00 16.37 N ATOM 224 CZ ARG A 491 5.990 -0.563 19.885 1.00 18.53 C ATOM 225 NH1 ARG A 491 6.221 -1.861 19.747 1.00 16.70 N ATOM 226 NH2 ARG A 491 5.605 -0.088 21.071 1.00 20.38 N ATOM 227 HE ARG A 491 5.912 1.264 18.995 1.00 0.00 H ATOM 228 HH12 ARG A 491 6.104 -2.499 20.560 1.00 0.00 H ATOM 229 HH11 ARG A 491 6.519 -2.241 18.826 1.00 0.00 H ATOM 230 HH22 ARG A 491 5.491 -0.734 21.878 1.00 0.00 H ATOM 231 HH21 ARG A 491 5.419 0.928 21.189 1.00 0.00 H ATOM 232 H ARG A 491 5.254 1.095 14.041 1.00 0.00 H ATOM 233 N SER A 492 7.734 0.721 11.955 1.00 17.40 N ATOM 234 CA SER A 492 8.524 0.050 10.925 1.00 15.42 C ATOM 235 C SER A 492 8.309 0.750 9.592 1.00 18.84 C ATOM 236 O SER A 492 7.219 0.662 9.015 1.00 27.19 O ATOM 237 CB SER A 492 8.092 -1.415 10.817 1.00 18.24 C ATOM 238 OG SER A 492 8.440 -2.148 11.990 1.00 23.46 O ATOM 239 HG SER A 492 7.991 -1.745 12.775 1.00 0.00 H ATOM 240 H SER A 492 6.712 0.838 11.803 1.00 0.00 H ATOM 241 N HIS A 493 9.346 1.388 9.071 1.00 15.25 N ATOM 242 CA HIS A 493 9.269 2.131 7.809 1.00 16.32 C ATOM 243 C HIS A 493 9.782 1.282 6.658 1.00 16.02 C ATOM 244 O HIS A 493 10.634 1.681 5.886 1.00 18.80 O ATOM 245 CB HIS A 493 10.061 3.434 7.929 1.00 18.31 C ATOM 246 CG HIS A 493 9.500 4.409 8.919 1.00 22.23 C ATOM 247 ND1 HIS A 493 9.893 5.722 8.964 1.00 28.26 N ATOM 248 CD2 HIS A 493 8.581 4.245 9.902 1.00 26.72 C ATOM 249 CE1 HIS A 493 9.243 6.339 9.944 1.00 28.03 C ATOM 250 NE2 HIS A 493 8.440 5.470 10.516 1.00 27.47 N ATOM 251 H HIS A 493 10.253 1.361 9.578 1.00 0.00 H ATOM 252 N VAL A 494 9.271 0.078 6.548 1.00 16.33 N ATOM 253 CA VAL A 494 9.740 -0.863 5.545 1.00 16.60 C ATOM 254 C VAL A 494 8.932 -0.716 4.267 1.00 16.40 C ATOM 255 O VAL A 494 7.791 -0.232 4.259 1.00 17.48 O ATOM 256 CB VAL A 494 9.700 -2.322 6.054 1.00 15.87 C ATOM 257 CG1 VAL A 494 10.466 -2.471 7.344 1.00 15.84 C ATOM 258 CG2 VAL A 494 8.263 -2.826 6.210 1.00 14.97 C ATOM 259 H VAL A 494 8.510 -0.210 7.196 1.00 0.00 H ATOM 260 N GLU A 495 9.530 -1.166 3.160 1.00 17.15 N ATOM 261 CA GLU A 495 8.824 -1.141 1.879 1.00 20.23 C ATOM 262 C GLU A 495 7.579 -2.009 1.926 1.00 16.74 C ATOM 263 O GLU A 495 7.618 -3.147 2.426 1.00 14.69 O ATOM 264 CB GLU A 495 9.748 -1.630 0.751 1.00 18.21 C ATOM 265 CG GLU A 495 11.167 -1.105 0.850 1.00 28.93 C ATOM 266 CD GLU A 495 11.261 0.373 0.584 1.00 56.72 C ATOM 267 OE1 GLU A 495 10.269 0.962 0.109 1.00 56.67 O ATOM 268 OE2 GLU A 495 12.338 0.943 0.851 1.00 70.64 O ATOM 269 H GLU A 495 10.501 -1.535 3.209 1.00 0.00 H ATOM 270 N ARG A 496 6.465 -1.497 1.406 1.00 16.55 N ATOM 271 CA ARG A 496 5.235 -2.266 1.306 1.00 15.19 C ATOM 272 C ARG A 496 4.833 -2.606 -0.117 1.00 15.94 C ATOM 273 O ARG A 496 3.936 -3.428 -0.312 1.00 15.26 O ATOM 274 CB ARG A 496 4.062 -1.471 1.896 1.00 17.42 C ATOM 275 CG ARG A 496 4.187 -1.186 3.386 1.00 17.52 C ATOM 276 CD ARG A 496 2.930 -0.547 3.917 1.00 19.95 C ATOM 277 NE ARG A 496 3.070 -0.246 5.338 1.00 16.64 N ATOM 278 CZ ARG A 496 2.064 0.100 6.135 1.00 16.53 C ATOM 279 NH1 ARG A 496 0.832 0.210 5.663 1.00 18.85 N ATOM 280 NH2 ARG A 496 2.293 0.341 7.419 1.00 18.19 N ATOM 281 HE ARG A 496 4.021 -0.306 5.755 1.00 0.00 H ATOM 282 HH12 ARG A 496 0.054 0.482 6.298 1.00 0.00 H ATOM 283 HH11 ARG A 496 0.642 0.025 4.657 1.00 0.00 H ATOM 284 HH22 ARG A 496 1.508 0.612 8.045 1.00 0.00 H ATOM 285 HH21 ARG A 496 3.257 0.259 7.800 1.00 0.00 H ATOM 286 H ARG A 496 6.475 -0.516 1.061 1.00 0.00 H ATOM 287 N THR A 497 5.410 -1.924 -1.100 1.00 15.38 N ATOM 288 CA THR A 497 5.085 -2.151 -2.504 1.00 14.43 C ATOM 289 C THR A 497 6.371 -2.193 -3.315 1.00 17.64 C ATOM 290 O THR A 497 7.435 -1.764 -2.854 1.00 17.20 O ATOM 291 CB THR A 497 4.176 -1.052 -3.070 1.00 16.38 C ATOM 292 OG1 THR A 497 4.870 0.193 -3.037 1.00 21.21 O ATOM 293 CG2 THR A 497 2.894 -0.929 -2.270 1.00 21.81 C ATOM 294 HG1 THR A 497 5.692 0.126 -3.585 1.00 0.00 H ATOM 295 H THR A 497 6.119 -1.202 -0.860 1.00 0.00 H ATOM 296 N THR A 498 6.257 -2.712 -4.545 1.00 15.28 N ATOM 297 CA THR A 498 7.341 -2.735 -5.510 1.00 16.84 C ATOM 298 C THR A 498 6.842 -2.170 -6.831 1.00 17.39 C ATOM 299 O THR A 498 5.637 -2.134 -7.101 1.00 17.11 O ATOM 300 CB THR A 498 7.863 -4.158 -5.806 1.00 20.05 C ATOM 301 OG1 THR A 498 6.797 -4.984 -6.295 1.00 20.31 O ATOM 302 CG2 THR A 498 8.437 -4.817 -4.542 1.00 21.70 C ATOM 303 HG1 THR A 498 7.144 -5.892 -6.481 1.00 0.00 H ATOM 304 H THR A 498 5.342 -3.121 -4.823 1.00 0.00 H ATOM 305 N ASP A 499 7.799 -1.779 -7.673 1.00 18.89 N ATOM 306 CA ASP A 499 7.476 -1.385 -9.040 1.00 20.13 C ATOM 307 C ASP A 499 6.688 -2.485 -9.742 1.00 19.02 C ATOM 308 O ASP A 499 5.662 -2.233 -10.390 1.00 19.34 O ATOM 309 CB ASP A 499 8.766 -1.104 -9.819 1.00 21.98 C ATOM 310 CG ASP A 499 8.502 -0.854 -11.282 1.00 26.18 C ATOM 311 OD1 ASP A 499 7.821 0.145 -11.593 1.00 26.35 O ATOM 312 OD2 ASP A 499 8.939 -1.675 -12.122 1.00 27.08 O ATOM 313 H ASP A 499 8.788 -1.755 -7.351 1.00 0.00 H ATOM 314 N GLU A 500 7.176 -3.718 -9.651 1.00 20.62 N ATOM 315 CA GLU A 500 6.539 -4.799 -10.384 1.00 19.85 C ATOM 316 C GLU A 500 5.146 -5.111 -9.854 1.00 16.18 C ATOM 317 O GLU A 500 4.316 -5.608 -10.614 1.00 16.90 O ATOM 318 CB GLU A 500 7.429 -6.042 -10.393 1.00 21.52 C ATOM 319 CG GLU A 500 7.901 -6.503 -9.033 1.00 29.70 C ATOM 320 CD GLU A 500 9.309 -6.023 -8.685 1.00 40.31 C ATOM 321 OE1 GLU A 500 9.725 -4.952 -9.185 1.00 35.53 O ATOM 322 OE2 GLU A 500 9.984 -6.713 -7.884 1.00 30.28 O ATOM 323 H GLU A 500 8.009 -3.908 -9.058 1.00 0.00 H ATOM 324 N GLY A 501 4.866 -4.814 -8.585 1.00 16.86 N ATOM 325 CA GLY A 501 3.523 -4.983 -8.042 1.00 17.40 C ATOM 326 C GLY A 501 3.077 -6.419 -7.948 1.00 20.82 C ATOM 327 O GLY A 501 1.878 -6.706 -8.054 1.00 25.80 O ATOM 328 H GLY A 501 5.622 -4.454 -7.968 1.00 0.00 H ATOM 329 N THR A 502 4.013 -7.336 -7.792 1.00 13.26 N ATOM 330 CA THR A 502 3.697 -8.752 -7.719 1.00 11.65 C ATOM 331 C THR A 502 3.440 -9.188 -6.274 1.00 12.15 C ATOM 332 O THR A 502 4.030 -8.668 -5.320 1.00 13.90 O ATOM 333 CB THR A 502 4.846 -9.565 -8.317 1.00 15.69 C ATOM 334 OG1 THR A 502 6.069 -9.121 -7.740 1.00 17.90 O ATOM 335 CG2 THR A 502 4.934 -9.385 -9.835 1.00 22.96 C ATOM 336 HG1 THR A 502 6.820 -9.641 -8.121 1.00 0.00 H ATOM 337 H THR A 502 5.006 -7.036 -7.719 1.00 0.00 H ATOM 338 N TRP A 503 2.576 -10.187 -6.121 1.00 12.60 N ATOM 339 CA TRP A 503 2.100 -10.650 -4.816 1.00 12.06 C ATOM 340 C TRP A 503 2.956 -11.873 -4.503 1.00 11.13 C ATOM 341 O TRP A 503 2.617 -13.007 -4.840 1.00 14.41 O ATOM 342 CB TRP A 503 0.596 -10.926 -4.867 1.00 9.81 C ATOM 343 CG TRP A 503 -0.158 -9.698 -5.304 1.00 10.93 C ATOM 344 CD1 TRP A 503 -0.603 -9.394 -6.567 1.00 12.42 C ATOM 345 CD2 TRP A 503 -0.514 -8.586 -4.486 1.00 10.19 C ATOM 346 NE1 TRP A 503 -1.193 -8.148 -6.576 1.00 13.00 N ATOM 347 CE2 TRP A 503 -1.167 -7.643 -5.306 1.00 12.21 C ATOM 348 CE3 TRP A 503 -0.338 -8.295 -3.138 1.00 11.88 C ATOM 349 CZ2 TRP A 503 -1.654 -6.428 -4.806 1.00 12.18 C ATOM 350 CZ3 TRP A 503 -0.804 -7.078 -2.653 1.00 11.94 C ATOM 351 CH2 TRP A 503 -1.468 -6.175 -3.476 1.00 12.31 C ATOM 352 HE1 TRP A 503 -1.592 -7.672 -7.410 1.00 0.00 H ATOM 353 H TRP A 503 2.219 -10.665 -6.973 1.00 0.00 H ATOM 354 N VAL A 504 4.095 -11.625 -3.859 1.00 11.26 N ATOM 355 CA VAL A 504 5.112 -12.648 -3.650 1.00 11.38 C ATOM 356 C VAL A 504 5.167 -13.136 -2.225 1.00 10.76 C ATOM 357 O VAL A 504 5.857 -14.131 -1.950 1.00 11.08 O ATOM 358 CB VAL A 504 6.507 -12.172 -4.105 1.00 16.52 C ATOM 359 CG1 VAL A 504 6.481 -11.882 -5.620 1.00 17.51 C ATOM 360 CG2 VAL A 504 6.967 -10.968 -3.297 1.00 16.26 C ATOM 361 H VAL A 504 4.265 -10.667 -3.492 1.00 0.00 H ATOM 362 N ALA A 505 4.515 -12.449 -1.298 1.00 10.38 N ATOM 363 CA ALA A 505 4.631 -12.742 0.110 1.00 10.90 C ATOM 364 C ALA A 505 3.251 -12.759 0.729 1.00 9.89 C ATOM 365 O ALA A 505 2.277 -12.318 0.132 1.00 10.57 O ATOM 366 CB ALA A 505 5.485 -11.685 0.819 1.00 12.95 C ATOM 367 H ALA A 505 3.896 -11.669 -1.597 1.00 0.00 H ATOM 368 N GLY A 506 3.178 -13.327 1.921 1.00 9.88 N ATOM 369 CA GLY A 506 1.889 -13.354 2.591 1.00 11.32 C ATOM 370 C GLY A 506 2.057 -13.618 4.061 1.00 9.60 C ATOM 371 O GLY A 506 3.152 -13.871 4.556 1.00 9.89 O ATOM 372 H GLY A 506 4.020 -13.743 2.367 1.00 0.00 H ATOM 373 N VAL A 507 0.939 -13.487 4.770 1.00 11.33 N ATOM 374 CA VAL A 507 0.808 -13.896 6.155 1.00 11.88 C ATOM 375 C VAL A 507 -0.381 -14.823 6.236 1.00 11.51 C ATOM 376 O VAL A 507 -1.459 -14.497 5.705 1.00 12.24 O ATOM 377 CB VAL A 507 0.637 -12.669 7.067 1.00 15.04 C ATOM 378 CG1 VAL A 507 0.483 -13.075 8.477 1.00 23.14 C ATOM 379 CG2 VAL A 507 1.849 -11.730 6.911 1.00 19.59 C ATOM 380 H VAL A 507 0.110 -13.066 4.303 1.00 0.00 H ATOM 381 N PHE A 508 -0.185 -16.000 6.825 1.00 9.62 N ATOM 382 CA PHE A 508 -1.185 -17.043 6.983 1.00 9.87 C ATOM 383 C PHE A 508 -1.609 -17.044 8.452 1.00 9.74 C ATOM 384 O PHE A 508 -0.782 -17.251 9.346 1.00 10.41 O ATOM 385 CB PHE A 508 -0.582 -18.386 6.567 1.00 10.94 C ATOM 386 CG PHE A 508 -1.579 -19.506 6.438 1.00 11.37 C ATOM 387 CD1 PHE A 508 -2.158 -19.821 5.206 1.00 12.97 C ATOM 388 CD2 PHE A 508 -1.924 -20.262 7.525 1.00 12.69 C ATOM 389 CE1 PHE A 508 -3.062 -20.862 5.095 1.00 15.72 C ATOM 390 CE2 PHE A 508 -2.817 -21.296 7.405 1.00 11.37 C ATOM 391 CZ PHE A 508 -3.388 -21.586 6.200 1.00 12.09 C ATOM 392 H PHE A 508 0.764 -16.190 7.205 1.00 0.00 H ATOM 393 N VAL A 509 -2.894 -16.781 8.704 1.00 9.60 N ATOM 394 CA VAL A 509 -3.412 -16.486 10.025 1.00 9.66 C ATOM 395 C VAL A 509 -4.491 -17.509 10.335 1.00 10.59 C ATOM 396 O VAL A 509 -5.386 -17.718 9.517 1.00 10.52 O ATOM 397 CB VAL A 509 -4.017 -15.076 10.058 1.00 11.53 C ATOM 398 CG1 VAL A 509 -4.452 -14.736 11.487 1.00 12.94 C ATOM 399 CG2 VAL A 509 -3.029 -14.058 9.518 1.00 12.06 C ATOM 400 H VAL A 509 -3.561 -16.788 7.906 1.00 0.00 H ATOM 401 N TYR A 510 -4.436 -18.124 11.517 1.00 10.60 N ATOM 402 CA TYR A 510 -5.344 -19.242 11.773 1.00 11.35 C ATOM 403 C TYR A 510 -5.530 -19.426 13.265 1.00 12.02 C ATOM 404 O TYR A 510 -4.811 -18.849 14.077 1.00 11.77 O ATOM 405 CB TYR A 510 -4.841 -20.546 11.114 1.00 10.75 C ATOM 406 CG TYR A 510 -3.484 -21.079 11.593 1.00 10.85 C ATOM 407 CD1 TYR A 510 -2.300 -20.496 11.169 1.00 11.03 C ATOM 408 CD2 TYR A 510 -3.403 -22.168 12.461 1.00 11.27 C ATOM 409 CE1 TYR A 510 -1.060 -20.975 11.599 1.00 10.97 C ATOM 410 CE2 TYR A 510 -2.188 -22.628 12.921 1.00 11.51 C ATOM 411 CZ TYR A 510 -1.020 -22.058 12.467 1.00 11.36 C ATOM 412 OH TYR A 510 0.156 -22.591 12.959 1.00 11.83 O ATOM 413 HH TYR A 510 0.926 -22.107 12.567 1.00 0.00 H ATOM 414 H TYR A 510 -3.760 -17.814 12.244 1.00 0.00 H ATOM 415 N GLY A 511 -6.506 -20.266 13.628 1.00 11.85 N ATOM 416 CA GLY A 511 -6.768 -20.558 15.027 1.00 11.38 C ATOM 417 C GLY A 511 -7.624 -19.506 15.713 1.00 12.81 C ATOM 418 O GLY A 511 -8.344 -18.706 15.092 1.00 16.48 O ATOM 419 H GLY A 511 -7.088 -20.719 12.895 1.00 0.00 H ATOM 420 N GLY A 512 -7.528 -19.510 17.039 1.00 14.91 N ATOM 421 CA GLY A 512 -8.378 -18.661 17.835 1.00 16.14 C ATOM 422 C GLY A 512 -9.796 -19.183 17.839 1.00 17.99 C ATOM 423 O GLY A 512 -10.113 -20.193 18.468 1.00 28.21 O ATOM 424 H GLY A 512 -6.835 -20.130 17.505 1.00 0.00 H ATOM 425 N SER A 513 -10.664 -18.449 17.170 1.00 20.67 N ATOM 426 CA SER A 513 -12.045 -18.829 16.925 1.00 16.17 C ATOM 427 C SER A 513 -12.444 -18.113 15.653 1.00 14.19 C ATOM 428 O SER A 513 -11.781 -17.158 15.229 1.00 15.79 O ATOM 429 CB SER A 513 -12.959 -18.362 18.057 1.00 16.16 C ATOM 430 OG SER A 513 -13.017 -16.936 18.087 1.00 20.19 O ATOM 431 HG SER A 513 -13.612 -16.646 18.824 1.00 0.00 H ATOM 432 H SER A 513 -10.338 -17.537 16.792 1.00 0.00 H ATOM 433 N LYS A 514 -13.571 -18.517 15.071 1.00 13.42 N ATOM 434 CA LYS A 514 -14.008 -17.851 13.857 1.00 14.98 C ATOM 435 C LYS A 514 -14.274 -16.372 14.107 1.00 14.07 C ATOM 436 O LYS A 514 -13.884 -15.520 13.305 1.00 13.93 O ATOM 437 CB LYS A 514 -15.230 -18.535 13.264 1.00 15.40 C ATOM 438 CG LYS A 514 -15.484 -18.059 11.840 1.00 17.20 C ATOM 439 CD LYS A 514 -16.648 -18.769 11.197 1.00 17.47 C ATOM 440 CE LYS A 514 -17.054 -18.052 9.900 1.00 25.69 C ATOM 441 NZ LYS A 514 -18.001 -18.846 9.062 1.00 22.62 N ATOM 442 HZ1 LYS A 514 -17.556 -19.748 8.797 1.00 0.00 H ATOM 443 HZ2 LYS A 514 -18.869 -19.033 9.604 1.00 0.00 H ATOM 444 HZ3 LYS A 514 -18.236 -18.309 8.203 1.00 0.00 H ATOM 445 H LYS A 514 -14.128 -19.295 15.478 1.00 0.00 H ATOM 446 N THR A 515 -14.924 -16.049 15.224 1.00 13.96 N ATOM 447 CA THR A 515 -15.245 -14.648 15.490 1.00 15.46 C ATOM 448 C THR A 515 -13.982 -13.822 15.708 1.00 16.12 C ATOM 449 O THR A 515 -13.889 -12.675 15.244 1.00 14.21 O ATOM 450 CB THR A 515 -16.187 -14.536 16.680 1.00 18.88 C ATOM 451 OG1 THR A 515 -17.433 -15.191 16.367 1.00 18.26 O ATOM 452 CG2 THR A 515 -16.441 -13.068 17.013 1.00 22.17 C ATOM 453 HG1 THR A 515 -17.262 -16.146 16.169 1.00 0.00 H ATOM 454 H THR A 515 -15.201 -16.788 15.902 1.00 0.00 H ATOM 455 N SER A 516 -12.980 -14.377 16.396 1.00 13.55 N ATOM 456 CA SER A 516 -11.759 -13.604 16.609 1.00 13.86 C ATOM 457 C SER A 516 -11.020 -13.372 15.299 1.00 13.06 C ATOM 458 O SER A 516 -10.492 -12.277 15.065 1.00 12.88 O ATOM 459 CB SER A 516 -10.861 -14.249 17.664 1.00 17.16 C ATOM 460 OG SER A 516 -10.408 -15.527 17.288 1.00 21.12 O ATOM 461 HG SER A 516 -11.186 -16.123 17.147 1.00 0.00 H ATOM 462 H SER A 516 -13.068 -15.342 16.773 1.00 0.00 H ATOM 463 N LEU A 517 -10.981 -14.382 14.419 1.00 12.46 N ATOM 464 CA LEU A 517 -10.358 -14.173 13.114 1.00 11.98 C ATOM 465 C LEU A 517 -11.162 -13.191 12.273 1.00 12.38 C ATOM 466 O LEU A 517 -10.591 -12.369 11.551 1.00 12.49 O ATOM 467 CB LEU A 517 -10.214 -15.493 12.358 1.00 13.16 C ATOM 468 CG LEU A 517 -9.166 -16.442 12.894 1.00 15.19 C ATOM 469 CD1 LEU A 517 -9.257 -17.746 12.087 1.00 18.72 C ATOM 470 CD2 LEU A 517 -7.769 -15.889 12.798 1.00 15.28 C ATOM 471 H LEU A 517 -11.391 -15.306 14.663 1.00 0.00 H ATOM 472 N TYR A 518 -12.494 -13.269 12.347 1.00 12.09 N ATOM 473 CA TYR A 518 -13.343 -12.313 11.645 1.00 12.98 C ATOM 474 C TYR A 518 -12.969 -10.886 12.013 1.00 15.01 C ATOM 475 O TYR A 518 -12.850 -10.013 11.140 1.00 13.84 O ATOM 476 CB TYR A 518 -14.802 -12.596 12.029 1.00 15.29 C ATOM 477 CG TYR A 518 -15.764 -11.542 11.544 1.00 14.99 C ATOM 478 CD1 TYR A 518 -16.304 -11.616 10.265 1.00 18.33 C ATOM 479 CD2 TYR A 518 -16.118 -10.471 12.347 1.00 20.29 C ATOM 480 CE1 TYR A 518 -17.161 -10.661 9.789 1.00 20.04 C ATOM 481 CE2 TYR A 518 -17.003 -9.498 11.875 1.00 25.98 C ATOM 482 CZ TYR A 518 -17.511 -9.608 10.591 1.00 25.96 C ATOM 483 OH TYR A 518 -18.379 -8.649 10.096 1.00 29.61 O ATOM 484 HH TYR A 518 -18.639 -8.887 9.171 1.00 0.00 H ATOM 485 H TYR A 518 -12.932 -14.023 12.914 1.00 0.00 H ATOM 486 N ASN A 519 -12.834 -10.608 13.322 1.00 13.38 N ATOM 487 CA ASN A 519 -12.507 -9.258 13.775 1.00 12.56 C ATOM 488 C ASN A 519 -11.109 -8.860 13.314 1.00 12.08 C ATOM 489 O ASN A 519 -10.875 -7.721 12.900 1.00 13.66 O ATOM 490 CB ASN A 519 -12.608 -9.161 15.299 1.00 15.25 C ATOM 491 CG ASN A 519 -14.026 -9.250 15.802 1.00 19.05 C ATOM 492 OD1 ASN A 519 -14.960 -8.828 15.145 1.00 19.87 O ATOM 493 ND2 ASN A 519 -14.178 -9.788 16.992 1.00 22.66 N ATOM 494 HD22 ASN A 519 -13.349 -10.135 17.516 1.00 0.00 H ATOM 495 HD21 ASN A 519 -15.127 -9.867 17.410 1.00 0.00 H ATOM 496 H ASN A 519 -12.964 -11.366 14.022 1.00 0.00 H ATOM 497 N LEU A 520 -10.163 -9.799 13.388 1.00 11.60 N ATOM 498 CA LEU A 520 -8.791 -9.513 12.984 1.00 12.34 C ATOM 499 C LEU A 520 -8.709 -9.231 11.494 1.00 11.72 C ATOM 500 O LEU A 520 -8.011 -8.304 11.072 1.00 11.86 O ATOM 501 CB LEU A 520 -7.877 -10.676 13.364 1.00 12.16 C ATOM 502 CG LEU A 520 -6.409 -10.478 13.004 1.00 12.21 C ATOM 503 CD1 LEU A 520 -5.777 -9.239 13.627 1.00 13.17 C ATOM 504 CD2 LEU A 520 -5.653 -11.731 13.444 1.00 12.68 C ATOM 505 H LEU A 520 -10.408 -10.747 13.738 1.00 0.00 H ATOM 506 N ARG A 521 -9.409 -10.027 10.680 1.00 12.29 N ATOM 507 CA ARG A 521 -9.430 -9.817 9.235 1.00 11.74 C ATOM 508 C ARG A 521 -10.011 -8.455 8.886 1.00 11.42 C ATOM 509 O ARG A 521 -9.448 -7.722 8.065 1.00 11.76 O ATOM 510 CB ARG A 521 -10.253 -10.939 8.592 1.00 12.15 C ATOM 511 CG ARG A 521 -10.453 -10.817 7.081 1.00 11.10 C ATOM 512 CD ARG A 521 -11.166 -12.045 6.546 1.00 11.37 C ATOM 513 NE ARG A 521 -11.568 -11.926 5.156 1.00 11.91 N ATOM 514 CZ ARG A 521 -12.696 -11.371 4.736 1.00 11.64 C ATOM 515 NH1 ARG A 521 -13.553 -10.889 5.622 1.00 12.28 N ATOM 516 NH2 ARG A 521 -12.983 -11.323 3.436 1.00 12.58 N ATOM 517 HE ARG A 521 -10.922 -12.305 4.435 1.00 0.00 H ATOM 518 HH12 ARG A 521 -14.441 -10.452 5.302 1.00 0.00 H ATOM 519 HH11 ARG A 521 -13.339 -10.948 6.638 1.00 0.00 H ATOM 520 HH22 ARG A 521 -13.870 -10.886 3.115 1.00 0.00 H ATOM 521 HH21 ARG A 521 -12.320 -11.723 2.742 1.00 0.00 H ATOM 522 H ARG A 521 -9.952 -10.816 11.086 1.00 0.00 H ATOM 523 N ARG A 522 -11.136 -8.094 9.506 1.00 11.86 N ATOM 524 CA ARG A 522 -11.741 -6.800 9.219 1.00 12.43 C ATOM 525 C ARG A 522 -10.818 -5.667 9.633 1.00 14.69 C ATOM 526 O ARG A 522 -10.709 -4.658 8.924 1.00 16.21 O ATOM 527 CB ARG A 522 -13.095 -6.682 9.929 1.00 13.11 C ATOM 528 CG ARG A 522 -14.234 -7.345 9.168 1.00 20.41 C ATOM 529 CD ARG A 522 -15.591 -7.017 9.796 1.00 25.25 C ATOM 530 NE ARG A 522 -16.049 -5.658 9.488 1.00 22.09 N ATOM 531 CZ ARG A 522 -17.176 -5.108 9.951 1.00 25.63 C ATOM 532 NH1 ARG A 522 -17.981 -5.771 10.775 1.00 24.63 N ATOM 533 NH2 ARG A 522 -17.510 -3.875 9.605 1.00 27.52 N ATOM 534 HE ARG A 522 -15.453 -5.079 8.863 1.00 0.00 H ATOM 535 HH12 ARG A 522 -18.853 -5.323 11.123 1.00 0.00 H ATOM 536 HH11 ARG A 522 -17.739 -6.738 11.072 1.00 0.00 H ATOM 537 HH22 ARG A 522 -18.388 -3.453 9.969 1.00 0.00 H ATOM 538 HH21 ARG A 522 -16.894 -3.328 8.970 1.00 0.00 H ATOM 539 H ARG A 522 -11.581 -8.736 10.193 1.00 0.00 H ATOM 540 N GLY A 523 -10.160 -5.801 10.782 1.00 12.37 N ATOM 541 CA GLY A 523 -9.291 -4.736 11.259 1.00 12.56 C ATOM 542 C GLY A 523 -8.015 -4.615 10.456 1.00 12.74 C ATOM 543 O GLY A 523 -7.496 -3.506 10.263 1.00 13.12 O ATOM 544 H GLY A 523 -10.267 -6.671 11.342 1.00 0.00 H ATOM 545 N THR A 524 -7.487 -5.744 9.975 1.00 12.25 N ATOM 546 CA THR A 524 -6.327 -5.722 9.097 1.00 11.56 C ATOM 547 C THR A 524 -6.631 -4.928 7.833 1.00 12.17 C ATOM 548 O THR A 524 -5.839 -4.093 7.397 1.00 12.71 O ATOM 549 CB THR A 524 -5.894 -7.153 8.766 1.00 13.07 C ATOM 550 OG1 THR A 524 -5.527 -7.834 9.975 1.00 11.89 O ATOM 551 CG2 THR A 524 -4.694 -7.148 7.827 1.00 11.95 C ATOM 552 HG1 THR A 524 -6.304 -7.857 10.588 1.00 0.00 H ATOM 553 H THR A 524 -7.914 -6.657 10.233 1.00 0.00 H ATOM 554 N ALA A 525 -7.784 -5.189 7.215 1.00 12.26 N ATOM 555 CA ALA A 525 -8.143 -4.479 5.990 1.00 13.27 C ATOM 556 C ALA A 525 -8.245 -2.982 6.231 1.00 13.28 C ATOM 557 O ALA A 525 -7.817 -2.176 5.393 1.00 16.49 O ATOM 558 CB ALA A 525 -9.475 -5.008 5.452 1.00 16.02 C ATOM 559 H ALA A 525 -8.431 -5.902 7.608 1.00 0.00 H ATOM 560 N LEU A 526 -8.839 -2.593 7.364 1.00 13.27 N ATOM 561 CA LEU A 526 -8.987 -1.179 7.692 1.00 14.43 C ATOM 562 C LEU A 526 -7.628 -0.521 7.892 1.00 16.68 C ATOM 563 O LEU A 526 -7.427 0.635 7.511 1.00 16.71 O ATOM 564 CB LEU A 526 -9.822 -1.037 8.960 1.00 16.83 C ATOM 565 CG LEU A 526 -11.331 -1.220 8.876 1.00 25.48 C ATOM 566 CD1 LEU A 526 -11.915 -1.196 10.294 1.00 37.06 C ATOM 567 CD2 LEU A 526 -11.959 -0.150 8.006 1.00 37.71 C ATOM 568 H LEU A 526 -9.202 -3.311 8.023 1.00 0.00 H ATOM 569 N ALA A 527 -6.682 -1.251 8.479 1.00 13.55 N ATOM 570 CA ALA A 527 -5.374 -0.686 8.798 1.00 14.05 C ATOM 571 C ALA A 527 -4.420 -0.650 7.608 1.00 15.73 C ATOM 572 O ALA A 527 -3.525 0.204 7.579 1.00 17.01 O ATOM 573 CB ALA A 527 -4.716 -1.486 9.926 1.00 14.89 C ATOM 574 H ALA A 527 -6.879 -2.245 8.715 1.00 0.00 H ATOM 575 N ILE A 528 -4.577 -1.543 6.629 1.00 13.25 N ATOM 576 CA ILE A 528 -3.558 -1.744 5.594 1.00 13.24 C ATOM 577 C ILE A 528 -4.167 -1.764 4.199 1.00 13.44 C ATOM 578 O ILE A 528 -4.528 -2.845 3.675 1.00 13.14 O ATOM 579 CB ILE A 528 -2.757 -3.032 5.848 1.00 12.64 C ATOM 580 CG1 ILE A 528 -2.233 -3.073 7.280 1.00 15.26 C ATOM 581 CG2 ILE A 528 -1.603 -3.116 4.865 1.00 14.45 C ATOM 582 CD1 ILE A 528 -1.569 -4.399 7.627 1.00 17.37 C ATOM 583 H ILE A 528 -5.447 -2.113 6.599 1.00 0.00 H ATOM 584 N PRO A 529 -4.234 -0.618 3.528 1.00 14.59 N ATOM 585 CA PRO A 529 -4.748 -0.616 2.144 1.00 15.07 C ATOM 586 C PRO A 529 -3.871 -1.373 1.167 1.00 14.28 C ATOM 587 O PRO A 529 -4.373 -1.812 0.116 1.00 14.87 O ATOM 588 CB PRO A 529 -4.808 0.872 1.765 1.00 16.45 C ATOM 589 CG PRO A 529 -4.502 1.642 3.022 1.00 25.66 C ATOM 590 CD PRO A 529 -3.952 0.726 4.063 1.00 15.91 C ATOM 591 N GLN A 530 -2.591 -1.552 1.467 1.00 14.89 N ATOM 592 CA GLN A 530 -1.651 -2.142 0.526 1.00 16.51 C ATOM 593 C GLN A 530 -1.737 -3.657 0.468 1.00 20.05 C ATOM 594 O GLN A 530 -1.027 -4.272 -0.335 1.00 24.90 O ATOM 595 CB GLN A 530 -0.226 -1.712 0.881 1.00 18.18 C ATOM 596 CG GLN A 530 -0.008 -0.215 0.892 1.00 22.36 C ATOM 597 CD GLN A 530 -0.248 0.426 2.256 1.00 19.29 C ATOM 598 OE1 GLN A 530 -0.700 -0.218 3.199 1.00 18.59 O ATOM 599 NE2 GLN A 530 0.015 1.725 2.339 1.00 23.77 N ATOM 600 HE22 GLN A 530 0.397 2.232 1.515 1.00 0.00 H ATOM 601 HE21 GLN A 530 -0.161 2.236 3.228 1.00 0.00 H ATOM 602 H GLN A 530 -2.249 -1.261 2.405 1.00 0.00 H ATOM 603 N CYS A 531 -2.593 -4.273 1.267 1.00 13.16 N ATOM 604 CA CYS A 531 -2.693 -5.720 1.293 1.00 12.42 C ATOM 605 C CYS A 531 -3.986 -6.176 0.625 1.00 12.36 C ATOM 606 O CYS A 531 -4.853 -5.372 0.265 1.00 12.74 O ATOM 607 CB CYS A 531 -2.628 -6.238 2.731 1.00 12.49 C ATOM 608 SG CYS A 531 -4.188 -6.140 3.673 1.00 13.67 S ATOM 609 H CYS A 531 -3.206 -3.709 1.889 1.00 0.00 H ATOM 610 N ARG A 532 -4.095 -7.491 0.439 1.00 11.98 N ATOM 611 CA ARG A 532 -5.311 -8.105 -0.088 1.00 11.93 C ATOM 612 C ARG A 532 -5.577 -9.351 0.738 1.00 11.75 C ATOM 613 O ARG A 532 -4.634 -10.047 1.121 1.00 12.28 O ATOM 614 CB ARG A 532 -5.178 -8.488 -1.571 1.00 12.24 C ATOM 615 CG ARG A 532 -4.816 -7.333 -2.459 1.00 12.88 C ATOM 616 CD ARG A 532 -5.970 -6.328 -2.592 1.00 13.30 C ATOM 617 NE ARG A 532 -5.685 -5.389 -3.664 1.00 14.03 N ATOM 618 CZ ARG A 532 -5.086 -4.213 -3.509 1.00 14.45 C ATOM 619 NH1 ARG A 532 -4.718 -3.808 -2.307 1.00 14.19 N ATOM 620 NH2 ARG A 532 -4.843 -3.455 -4.583 1.00 15.23 N ATOM 621 HE ARG A 532 -5.972 -5.658 -4.627 1.00 0.00 H ATOM 622 HH12 ARG A 532 -4.249 -2.887 -2.189 1.00 0.00 H ATOM 623 HH11 ARG A 532 -4.897 -4.410 -1.478 1.00 0.00 H ATOM 624 HH22 ARG A 532 -4.375 -2.533 -4.473 1.00 0.00 H ATOM 625 HH21 ARG A 532 -5.122 -3.787 -5.528 1.00 0.00 H ATOM 626 H ARG A 532 -3.287 -8.101 0.677 1.00 0.00 H ATOM 627 N LEU A 533 -6.842 -9.657 1.013 1.00 11.33 N ATOM 628 CA LEU A 533 -7.183 -10.710 1.964 1.00 10.93 C ATOM 629 C LEU A 533 -8.090 -11.749 1.327 1.00 10.96 C ATOM 630 O LEU A 533 -8.974 -11.425 0.524 1.00 11.31 O ATOM 631 CB LEU A 533 -7.927 -10.119 3.179 1.00 11.41 C ATOM 632 CG LEU A 533 -7.082 -9.087 3.924 1.00 12.66 C ATOM 633 CD1 LEU A 533 -7.887 -7.939 4.501 1.00 26.90 C ATOM 634 CD2 LEU A 533 -6.339 -9.787 5.025 1.00 20.51 C ATOM 635 H LEU A 533 -7.606 -9.134 0.539 1.00 0.00 H ATOM 636 N THR A 534 -7.892 -12.997 1.704 1.00 10.67 N ATOM 637 CA THR A 534 -8.891 -13.981 1.356 1.00 10.76 C ATOM 638 C THR A 534 -10.052 -13.919 2.334 1.00 11.15 C ATOM 639 O THR A 534 -9.925 -13.384 3.436 1.00 10.86 O ATOM 640 CB THR A 534 -8.344 -15.406 1.423 1.00 10.56 C ATOM 641 OG1 THR A 534 -8.028 -15.760 2.775 1.00 10.29 O ATOM 642 CG2 THR A 534 -7.098 -15.599 0.575 1.00 12.40 C ATOM 643 HG1 THR A 534 -8.846 -15.703 3.330 1.00 0.00 H ATOM 644 H THR A 534 -7.040 -13.266 2.237 1.00 0.00 H ATOM 645 N PRO A 535 -11.174 -14.540 1.981 1.00 11.06 N ATOM 646 CA PRO A 535 -12.215 -14.822 2.978 1.00 11.19 C ATOM 647 C PRO A 535 -11.684 -15.707 4.099 1.00 11.20 C ATOM 648 O PRO A 535 -10.612 -16.320 4.017 1.00 13.45 O ATOM 649 CB PRO A 535 -13.273 -15.589 2.181 1.00 13.16 C ATOM 650 CG PRO A 535 -13.051 -15.186 0.767 1.00 12.15 C ATOM 651 CD PRO A 535 -11.575 -14.928 0.622 1.00 11.36 C ATOM 652 N LEU A 536 -12.472 -15.779 5.161 1.00 11.04 N ATOM 653 CA LEU A 536 -12.310 -16.850 6.136 1.00 10.94 C ATOM 654 C LEU A 536 -12.636 -18.193 5.493 1.00 11.71 C ATOM 655 O LEU A 536 -13.597 -18.320 4.735 1.00 13.48 O ATOM 656 CB LEU A 536 -13.267 -16.649 7.299 1.00 11.27 C ATOM 657 CG LEU A 536 -13.068 -15.357 8.076 1.00 12.49 C ATOM 658 CD1 LEU A 536 -14.158 -15.186 9.152 1.00 14.19 C ATOM 659 CD2 LEU A 536 -11.693 -15.263 8.752 1.00 14.14 C ATOM 660 H LEU A 536 -13.214 -15.064 5.301 1.00 0.00 H ATOM 661 N SER A 537 -11.836 -19.203 5.819 1.00 11.03 N ATOM 662 CA SER A 537 -12.100 -20.572 5.405 1.00 11.12 C ATOM 663 C SER A 537 -11.663 -21.482 6.539 1.00 12.66 C ATOM 664 O SER A 537 -11.492 -21.040 7.678 1.00 12.72 O ATOM 665 CB SER A 537 -11.407 -20.852 4.076 1.00 11.12 C ATOM 666 OG SER A 537 -11.778 -22.128 3.609 1.00 13.37 O ATOM 667 HG SER A 537 -12.759 -22.159 3.482 1.00 0.00 H ATOM 668 H SER A 537 -10.990 -19.007 6.391 1.00 0.00 H ATOM 669 N ARG A 538 -11.527 -22.774 6.235 1.00 14.13 N ATOM 670 CA ARG A 538 -11.237 -23.778 7.252 1.00 13.44 C ATOM 671 C ARG A 538 -10.006 -24.580 6.886 1.00 12.74 C ATOM 672 O ARG A 538 -9.709 -24.805 5.707 1.00 12.32 O ATOM 673 CB ARG A 538 -12.424 -24.733 7.467 1.00 14.86 C ATOM 674 CG ARG A 538 -13.627 -24.059 8.058 1.00 15.78 C ATOM 675 CD ARG A 538 -14.927 -24.850 7.806 1.00 30.11 C ATOM 676 NE ARG A 538 -15.023 -26.010 8.675 1.00 50.97 N ATOM 677 CZ ARG A 538 -16.164 -26.472 9.171 1.00 58.12 C ATOM 678 NH1 ARG A 538 -17.320 -25.908 8.826 1.00 43.12 N ATOM 679 NH2 ARG A 538 -16.148 -27.568 9.927 1.00 49.26 N ATOM 680 HE ARG A 538 -14.145 -26.509 8.923 1.00 0.00 H ATOM 681 HH12 ARG A 538 -18.213 -26.272 9.216 1.00 0.00 H ATOM 682 HH11 ARG A 538 -17.330 -25.104 8.167 1.00 0.00 H ATOM 683 HH22 ARG A 538 -17.035 -27.940 10.322 1.00 0.00 H ATOM 684 HH21 ARG A 538 -15.248 -28.052 10.123 1.00 0.00 H ATOM 685 H ARG A 538 -11.631 -23.074 5.244 1.00 0.00 H ATOM 686 N LEU A 539 -9.286 -25.043 7.925 1.00 12.78 N ATOM 687 CA LEU A 539 -8.112 -25.882 7.755 1.00 12.32 C ATOM 688 C LEU A 539 -8.487 -27.358 7.758 1.00 12.52 C ATOM 689 O LEU A 539 -9.391 -27.770 8.485 1.00 13.12 O ATOM 690 CB LEU A 539 -7.137 -25.672 8.908 1.00 12.47 C ATOM 691 CG LEU A 539 -6.459 -24.306 9.009 1.00 12.36 C ATOM 692 CD1 LEU A 539 -5.595 -24.270 10.257 1.00 16.19 C ATOM 693 CD2 LEU A 539 -5.646 -24.016 7.792 1.00 15.17 C ATOM 694 H LEU A 539 -9.582 -24.790 8.889 1.00 0.00 H ATOM 695 N PRO A 540 -7.763 -28.151 6.980 1.00 12.13 N ATOM 696 CA PRO A 540 -7.822 -29.606 7.139 1.00 12.42 C ATOM 697 C PRO A 540 -7.082 -30.010 8.404 1.00 12.74 C ATOM 698 O PRO A 540 -6.452 -29.191 9.074 1.00 12.71 O ATOM 699 CB PRO A 540 -7.088 -30.127 5.906 1.00 11.97 C ATOM 700 CG PRO A 540 -6.056 -29.035 5.656 1.00 11.47 C ATOM 701 CD PRO A 540 -6.714 -27.730 6.026 1.00 11.54 C ATOM 702 N PHE A 541 -7.169 -31.300 8.731 1.00 13.19 N ATOM 703 CA PHE A 541 -6.468 -31.849 9.879 1.00 13.68 C ATOM 704 C PHE A 541 -5.025 -32.152 9.518 1.00 13.66 C ATOM 705 O PHE A 541 -4.661 -32.273 8.346 1.00 13.23 O ATOM 706 CB PHE A 541 -7.097 -33.177 10.326 1.00 14.44 C ATOM 707 CG PHE A 541 -8.505 -33.059 10.813 1.00 14.99 C ATOM 708 CD1 PHE A 541 -8.767 -32.729 12.129 1.00 15.82 C ATOM 709 CD2 PHE A 541 -9.563 -33.267 9.957 1.00 14.98 C ATOM 710 CE1 PHE A 541 -10.060 -32.625 12.586 1.00 18.14 C ATOM 711 CE2 PHE A 541 -10.866 -33.146 10.410 1.00 15.63 C ATOM 712 CZ PHE A 541 -11.115 -32.829 11.719 1.00 16.96 C ATOM 713 H PHE A 541 -7.755 -31.931 8.148 1.00 0.00 H ATOM 714 N GLY A 542 -4.204 -32.308 10.551 1.00 13.83 N ATOM 715 CA GLY A 542 -2.853 -32.792 10.369 1.00 13.84 C ATOM 716 C GLY A 542 -2.823 -34.307 10.399 1.00 14.42 C ATOM 717 O GLY A 542 -3.549 -34.975 9.655 1.00 16.39 O ATOM 718 H GLY A 542 -4.539 -32.078 11.508 1.00 0.00 H ATOM 719 N MET A 543 -2.009 -34.850 11.285 1.00 17.54 N ATOM 720 CA MET A 543 -1.949 -36.288 11.454 1.00 15.90 C ATOM 721 C MET A 543 -3.296 -36.795 11.947 1.00 16.42 C ATOM 722 O MET A 543 -3.965 -36.157 12.767 1.00 18.27 O ATOM 723 CB MET A 543 -0.834 -36.598 12.449 1.00 18.27 C ATOM 724 CG MET A 543 -0.717 -38.006 12.873 1.00 19.60 C ATOM 725 SD MET A 543 0.728 -38.256 13.922 1.00 22.17 S ATOM 726 CE MET A 543 0.854 -36.699 14.817 1.00 32.28 C ATOM 727 H MET A 543 -1.403 -34.238 11.869 1.00 0.00 H ATOM 728 N ALA A 544 -3.696 -37.953 11.441 1.00 16.76 N ATOM 729 CA ALA A 544 -4.893 -38.655 11.890 1.00 17.49 C ATOM 730 C ALA A 544 -6.171 -37.825 11.777 1.00 20.16 C ATOM 731 O ALA A 544 -6.788 -37.460 12.789 1.00 18.21 O ATOM 732 CB ALA A 544 -4.689 -39.182 13.313 1.00 18.67 C ATOM 733 H ALA A 544 -3.127 -38.383 10.685 1.00 0.00 H ATOM 734 N PRO A 545 -6.621 -37.552 10.562 1.00 16.86 N ATOM 735 CA PRO A 545 -7.863 -36.780 10.388 1.00 16.59 C ATOM 736 C PRO A 545 -9.080 -37.421 11.049 1.00 19.69 C ATOM 737 O PRO A 545 -9.190 -38.642 11.172 1.00 18.93 O ATOM 738 CB PRO A 545 -8.037 -36.726 8.870 1.00 17.86 C ATOM 739 CG PRO A 545 -6.632 -36.882 8.315 1.00 15.64 C ATOM 740 CD PRO A 545 -5.955 -37.848 9.279 1.00 15.82 C ATOM 741 N GLY A 546 -10.017 -36.564 11.469 1.00 17.64 N ATOM 742 CA GLY A 546 -11.289 -37.019 11.992 1.00 18.19 C ATOM 743 C GLY A 546 -12.071 -37.772 10.935 1.00 19.89 C ATOM 744 O GLY A 546 -11.692 -37.779 9.760 1.00 19.73 O ATOM 745 H GLY A 546 -9.827 -35.543 11.419 1.00 0.00 H ATOM 746 N PRO A 547 -13.190 -38.390 11.301 1.00 19.66 N ATOM 747 CA PRO A 547 -13.920 -39.224 10.335 1.00 20.31 C ATOM 748 C PRO A 547 -14.740 -38.402 9.344 1.00 21.42 C ATOM 749 O PRO A 547 -15.042 -37.224 9.559 1.00 23.57 O ATOM 750 CB PRO A 547 -14.822 -40.091 11.212 1.00 34.53 C ATOM 751 CG PRO A 547 -15.089 -39.209 12.406 1.00 25.83 C ATOM 752 CD PRO A 547 -13.785 -38.461 12.655 1.00 22.85 C ATOM 753 N GLY A 548 -15.076 -39.050 8.228 1.00 26.84 N ATOM 754 CA GLY A 548 -15.836 -38.407 7.185 1.00 25.68 C ATOM 755 C GLY A 548 -15.884 -39.253 5.934 1.00 26.77 C ATOM 756 O GLY A 548 -15.074 -40.162 5.754 1.00 23.12 O ATOM 757 H GLY A 548 -14.783 -40.041 8.107 1.00 0.00 H ATOM 758 N PRO A 549 -16.836 -38.965 5.036 1.00 23.59 N ATOM 759 CA PRO A 549 -16.980 -39.802 3.830 1.00 28.22 C ATOM 760 C PRO A 549 -15.953 -39.500 2.757 1.00 25.30 C ATOM 761 O PRO A 549 -15.719 -40.355 1.891 1.00 36.11 O ATOM 762 CB PRO A 549 -18.392 -39.465 3.333 1.00 29.46 C ATOM 763 CG PRO A 549 -18.577 -38.026 3.746 1.00 30.65 C ATOM 764 CD PRO A 549 -17.858 -37.904 5.100 1.00 29.83 C ATOM 765 N GLN A 550 -15.328 -38.319 2.796 1.00 18.86 N ATOM 766 CA GLN A 550 -14.327 -37.977 1.802 1.00 19.09 C ATOM 767 C GLN A 550 -12.952 -38.521 2.190 1.00 18.39 C ATOM 768 O GLN A 550 -12.671 -38.765 3.368 1.00 18.77 O ATOM 769 CB GLN A 550 -14.204 -36.463 1.709 1.00 23.88 C ATOM 770 CG GLN A 550 -15.425 -35.742 1.164 1.00 29.52 C ATOM 771 CD GLN A 550 -15.188 -34.243 1.009 1.00 33.31 C ATOM 772 OE1 GLN A 550 -15.328 -33.473 1.970 1.00 29.24 O ATOM 773 NE2 GLN A 550 -14.824 -33.825 -0.203 1.00 30.38 N ATOM 774 HE22 GLN A 550 -14.719 -34.509 -0.979 1.00 0.00 H ATOM 775 HE21 GLN A 550 -14.645 -32.815 -0.373 1.00 0.00 H ATOM 776 H GLN A 550 -15.561 -37.638 3.547 1.00 0.00 H ATOM 777 N PRO A 551 -12.059 -38.684 1.221 1.00 16.51 N ATOM 778 CA PRO A 551 -10.661 -38.995 1.554 1.00 15.96 C ATOM 779 C PRO A 551 -10.085 -38.045 2.599 1.00 15.34 C ATOM 780 O PRO A 551 -10.367 -36.840 2.605 1.00 15.08 O ATOM 781 CB PRO A 551 -9.939 -38.853 0.213 1.00 17.66 C ATOM 782 CG PRO A 551 -11.007 -39.244 -0.815 1.00 16.28 C ATOM 783 CD PRO A 551 -12.303 -38.674 -0.238 1.00 17.80 C ATOM 784 N GLY A 552 -9.227 -38.599 3.449 1.00 15.49 N ATOM 785 CA GLY A 552 -8.634 -37.885 4.556 1.00 15.21 C ATOM 786 C GLY A 552 -8.121 -36.491 4.256 1.00 14.35 C ATOM 787 O GLY A 552 -8.356 -35.557 5.033 1.00 14.13 O ATOM 788 H GLY A 552 -8.969 -39.597 3.310 1.00 0.00 H ATOM 789 N PRO A 553 -7.377 -36.318 3.153 1.00 14.03 N ATOM 790 CA PRO A 553 -6.799 -34.986 2.863 1.00 13.52 C ATOM 791 C PRO A 553 -7.818 -33.877 2.737 1.00 13.28 C ATOM 792 O PRO A 553 -7.465 -32.696 2.926 1.00 14.08 O ATOM 793 CB PRO A 553 -6.048 -35.207 1.536 1.00 13.61 C ATOM 794 CG PRO A 553 -5.630 -36.640 1.591 1.00 14.06 C ATOM 795 CD PRO A 553 -6.831 -37.352 2.248 1.00 14.33 C ATOM 796 N LEU A 554 -9.074 -34.206 2.447 1.00 13.58 N ATOM 797 CA LEU A 554 -10.107 -33.207 2.210 1.00 13.65 C ATOM 798 C LEU A 554 -10.903 -32.848 3.453 1.00 13.79 C ATOM 799 O LEU A 554 -11.634 -31.863 3.437 1.00 13.90 O ATOM 800 CB LEU A 554 -11.121 -33.735 1.193 1.00 17.17 C ATOM 801 CG LEU A 554 -10.637 -34.023 -0.228 1.00 14.99 C ATOM 802 CD1 LEU A 554 -11.546 -35.047 -0.930 1.00 17.46 C ATOM 803 CD2 LEU A 554 -10.572 -32.741 -1.049 1.00 15.85 C ATOM 804 H LEU A 554 -9.327 -35.213 2.387 1.00 0.00 H ATOM 805 N ARG A 555 -10.791 -33.617 4.531 1.00 14.00 N ATOM 806 CA ARG A 555 -11.696 -33.438 5.657 1.00 14.95 C ATOM 807 C ARG A 555 -11.365 -32.164 6.427 1.00 14.01 C ATOM 808 O ARG A 555 -10.203 -31.862 6.708 1.00 14.49 O ATOM 809 CB ARG A 555 -11.638 -34.674 6.547 1.00 15.35 C ATOM 810 CG ARG A 555 -11.858 -35.957 5.737 1.00 17.14 C ATOM 811 CD ARG A 555 -12.674 -37.005 6.478 1.00 35.58 C ATOM 812 NE ARG A 555 -11.824 -37.930 7.223 1.00 33.73 N ATOM 813 CZ ARG A 555 -11.558 -39.181 6.855 1.00 21.85 C ATOM 814 NH1 ARG A 555 -12.077 -39.683 5.740 1.00 29.64 N ATOM 815 NH2 ARG A 555 -10.769 -39.932 7.611 1.00 21.31 N ATOM 816 HE ARG A 555 -11.395 -37.586 8.106 1.00 0.00 H ATOM 817 HH12 ARG A 555 -11.863 -40.662 5.461 1.00 0.00 H ATOM 818 HH11 ARG A 555 -12.698 -39.097 5.146 1.00 0.00 H ATOM 819 HH22 ARG A 555 -10.557 -40.910 7.330 1.00 0.00 H ATOM 820 HH21 ARG A 555 -10.362 -39.543 8.485 1.00 0.00 H ATOM 821 H ARG A 555 -10.054 -34.350 4.570 1.00 0.00 H ATOM 822 N GLU A 556 -12.417 -31.418 6.769 1.00 14.34 N ATOM 823 CA GLU A 556 -12.282 -30.100 7.350 1.00 14.00 C ATOM 824 C GLU A 556 -12.396 -30.156 8.861 1.00 14.39 C ATOM 825 O GLU A 556 -13.349 -30.728 9.412 1.00 15.27 O ATOM 826 CB GLU A 556 -13.357 -29.158 6.798 1.00 14.75 C ATOM 827 CG GLU A 556 -13.198 -28.918 5.298 1.00 16.95 C ATOM 828 CD GLU A 556 -14.359 -28.190 4.675 1.00 17.03 C ATOM 829 OE1 GLU A 556 -14.867 -27.250 5.321 1.00 19.54 O ATOM 830 OE2 GLU A 556 -14.760 -28.562 3.545 1.00 18.94 O ATOM 831 H GLU A 556 -13.372 -31.799 6.612 1.00 0.00 H ATOM 832 N SER A 557 -11.426 -29.524 9.517 1.00 13.96 N ATOM 833 CA SER A 557 -11.479 -29.268 10.941 1.00 14.40 C ATOM 834 C SER A 557 -12.414 -28.097 11.220 1.00 14.55 C ATOM 835 O SER A 557 -12.987 -27.491 10.315 1.00 15.82 O ATOM 836 CB SER A 557 -10.083 -28.947 11.450 1.00 14.08 C ATOM 837 OG SER A 557 -9.739 -27.583 11.241 1.00 13.55 O ATOM 838 HG SER A 557 -9.769 -27.381 10.272 1.00 0.00 H ATOM 839 H SER A 557 -10.594 -29.200 8.984 1.00 0.00 H ATOM 840 N ILE A 558 -12.598 -27.770 12.508 1.00 15.07 N ATOM 841 CA ILE A 558 -13.328 -26.550 12.838 1.00 15.78 C ATOM 842 C ILE A 558 -12.416 -25.335 12.968 1.00 16.91 C ATOM 843 O ILE A 558 -12.903 -24.233 13.275 1.00 18.23 O ATOM 844 CB ILE A 558 -14.218 -26.702 14.078 1.00 21.90 C ATOM 845 CG1 ILE A 558 -13.347 -26.927 15.301 1.00 22.08 C ATOM 846 CG2 ILE A 558 -15.219 -27.836 13.887 1.00 25.08 C ATOM 847 CD1 ILE A 558 -14.189 -27.093 16.580 1.00 36.85 C ATOM 848 H ILE A 558 -12.224 -28.379 13.263 1.00 0.00 H ATOM 849 N VAL A 559 -11.118 -25.490 12.759 1.00 14.04 N ATOM 850 CA VAL A 559 -10.181 -24.376 12.869 1.00 13.68 C ATOM 851 C VAL A 559 -10.226 -23.568 11.581 1.00 14.02 C ATOM 852 O VAL A 559 -10.140 -24.127 10.479 1.00 13.46 O ATOM 853 CB VAL A 559 -8.758 -24.878 13.135 1.00 14.18 C ATOM 854 CG1 VAL A 559 -7.798 -23.684 13.272 1.00 15.09 C ATOM 855 CG2 VAL A 559 -8.704 -25.732 14.388 1.00 17.16 C ATOM 856 H VAL A 559 -10.755 -26.432 12.509 1.00 0.00 H ATOM 857 N CYS A 560 -10.318 -22.255 11.714 1.00 13.32 N ATOM 858 CA CYS A 560 -10.445 -21.366 10.569 1.00 13.27 C ATOM 859 C CYS A 560 -9.124 -20.682 10.258 1.00 13.19 C ATOM 860 O CYS A 560 -8.160 -20.746 11.028 1.00 13.21 O ATOM 861 CB CYS A 560 -11.510 -20.307 10.836 1.00 13.74 C ATOM 862 SG CYS A 560 -13.168 -21.040 11.095 1.00 17.60 S ATOM 863 H CYS A 560 -10.299 -21.844 12.669 1.00 0.00 H ATOM 864 N TYR A 561 -9.077 -20.047 9.082 1.00 11.65 N ATOM 865 CA TYR A 561 -7.887 -19.332 8.639 1.00 10.73 C ATOM 866 C TYR A 561 -8.275 -18.260 7.636 1.00 10.66 C ATOM 867 O TYR A 561 -9.367 -18.275 7.061 1.00 11.34 O ATOM 868 CB TYR A 561 -6.845 -20.289 8.029 1.00 10.77 C ATOM 869 CG TYR A 561 -7.034 -20.572 6.549 1.00 10.76 C ATOM 870 CD1 TYR A 561 -6.389 -19.808 5.593 1.00 10.71 C ATOM 871 CD2 TYR A 561 -7.854 -21.583 6.110 1.00 10.82 C ATOM 872 CE1 TYR A 561 -6.570 -20.058 4.231 1.00 11.02 C ATOM 873 CE2 TYR A 561 -8.014 -21.853 4.749 1.00 10.86 C ATOM 874 CZ TYR A 561 -7.387 -21.066 3.825 1.00 12.85 C ATOM 875 OH TYR A 561 -7.529 -21.271 2.464 1.00 12.90 O ATOM 876 HH TYR A 561 -8.483 -21.183 2.216 1.00 0.00 H ATOM 877 H TYR A 561 -9.914 -20.064 8.465 1.00 0.00 H ATOM 878 N PHE A 562 -7.344 -17.326 7.424 1.00 10.63 N ATOM 879 CA PHE A 562 -7.363 -16.450 6.259 1.00 11.35 C ATOM 880 C PHE A 562 -5.909 -16.136 5.878 1.00 10.59 C ATOM 881 O PHE A 562 -4.989 -16.363 6.659 1.00 10.58 O ATOM 882 CB PHE A 562 -8.200 -15.172 6.455 1.00 10.61 C ATOM 883 CG PHE A 562 -7.658 -14.205 7.464 1.00 10.63 C ATOM 884 CD1 PHE A 562 -6.869 -13.135 7.071 1.00 12.72 C ATOM 885 CD2 PHE A 562 -7.978 -14.336 8.787 1.00 10.69 C ATOM 886 CE1 PHE A 562 -6.380 -12.226 7.994 1.00 11.78 C ATOM 887 CE2 PHE A 562 -7.501 -13.407 9.717 1.00 11.22 C ATOM 888 CZ PHE A 562 -6.695 -12.375 9.310 1.00 11.18 C ATOM 889 H PHE A 562 -6.576 -17.220 8.117 1.00 0.00 H ATOM 890 N MET A 563 -5.735 -15.642 4.659 1.00 10.54 N ATOM 891 CA MET A 563 -4.403 -15.310 4.158 1.00 12.84 C ATOM 892 C MET A 563 -4.369 -13.865 3.678 1.00 10.49 C ATOM 893 O MET A 563 -5.301 -13.393 3.021 1.00 11.62 O ATOM 894 CB MET A 563 -3.980 -16.247 2.997 1.00 20.11 C ATOM 895 CG MET A 563 -2.478 -16.273 2.706 1.00 34.58 C ATOM 896 SD MET A 563 -1.866 -17.803 1.931 1.00 24.29 S ATOM 897 CE MET A 563 -3.401 -18.634 1.504 1.00 39.60 C ATOM 898 H MET A 563 -6.563 -15.488 4.048 1.00 0.00 H ATOM 899 N VAL A 564 -3.261 -13.187 3.976 1.00 10.47 N ATOM 900 CA VAL A 564 -2.998 -11.820 3.549 1.00 10.47 C ATOM 901 C VAL A 564 -1.935 -11.916 2.455 1.00 10.64 C ATOM 902 O VAL A 564 -0.903 -12.568 2.653 1.00 11.81 O ATOM 903 CB VAL A 564 -2.474 -10.951 4.705 1.00 12.08 C ATOM 904 CG1 VAL A 564 -2.362 -9.472 4.230 1.00 11.94 C ATOM 905 CG2 VAL A 564 -3.338 -11.069 5.963 1.00 13.49 C ATOM 906 H VAL A 564 -2.538 -13.665 4.550 1.00 0.00 H ATOM 907 N PHE A 565 -2.189 -11.302 1.303 1.00 10.46 N ATOM 908 CA PHE A 565 -1.187 -11.217 0.251 1.00 10.46 C ATOM 909 C PHE A 565 -0.486 -9.865 0.322 1.00 10.95 C ATOM 910 O PHE A 565 -1.144 -8.842 0.523 1.00 10.70 O ATOM 911 CB PHE A 565 -1.820 -11.351 -1.140 1.00 10.53 C ATOM 912 CG PHE A 565 -2.529 -12.666 -1.356 1.00 11.12 C ATOM 913 CD1 PHE A 565 -1.846 -13.796 -1.755 1.00 14.14 C ATOM 914 CD2 PHE A 565 -3.885 -12.772 -1.141 1.00 12.39 C ATOM 915 CE1 PHE A 565 -2.526 -15.007 -1.928 1.00 14.85 C ATOM 916 CE2 PHE A 565 -4.563 -13.962 -1.310 1.00 11.39 C ATOM 917 CZ PHE A 565 -3.886 -15.081 -1.688 1.00 13.01 C ATOM 918 H PHE A 565 -3.124 -10.873 1.151 1.00 0.00 H ATOM 919 N LEU A 566 0.832 -9.864 0.110 1.00 11.11 N ATOM 920 CA LEU A 566 1.650 -8.656 0.202 1.00 10.43 C ATOM 921 C LEU A 566 2.673 -8.635 -0.919 1.00 10.42 C ATOM 922 O LEU A 566 3.032 -9.672 -1.497 1.00 11.39 O ATOM 923 CB LEU A 566 2.374 -8.601 1.551 1.00 11.99 C ATOM 924 CG LEU A 566 1.443 -8.562 2.751 1.00 13.45 C ATOM 925 CD1 LEU A 566 2.255 -8.828 4.017 1.00 18.37 C ATOM 926 CD2 LEU A 566 0.703 -7.286 2.865 1.00 13.54 C ATOM 927 H LEU A 566 1.297 -10.762 -0.131 1.00 0.00 H ATOM 928 N GLN A 567 3.171 -7.432 -1.207 1.00 11.02 N ATOM 929 CA GLN A 567 4.115 -7.254 -2.290 1.00 11.47 C ATOM 930 C GLN A 567 5.562 -7.353 -1.846 1.00 11.05 C ATOM 931 O GLN A 567 6.450 -7.444 -2.711 1.00 11.67 O ATOM 932 CB GLN A 567 3.879 -5.901 -2.962 1.00 12.47 C ATOM 933 CG GLN A 567 2.575 -5.849 -3.742 1.00 12.47 C ATOM 934 CD GLN A 567 2.431 -4.594 -4.564 1.00 12.81 C ATOM 935 OE1 GLN A 567 3.382 -3.817 -4.749 1.00 15.13 O ATOM 936 NE2 GLN A 567 1.233 -4.386 -5.077 1.00 15.95 N ATOM 937 HE22 GLN A 567 0.465 -5.064 -4.896 1.00 0.00 H ATOM 938 HE21 GLN A 567 1.057 -3.544 -5.662 1.00 0.00 H ATOM 939 H GLN A 567 2.876 -6.608 -0.644 1.00 0.00 H ATOM 940 N THR A 568 5.843 -7.326 -0.546 1.00 10.68 N ATOM 941 CA THR A 568 7.222 -7.444 -0.098 1.00 10.43 C ATOM 942 C THR A 568 7.367 -8.457 1.026 1.00 11.25 C ATOM 943 O THR A 568 6.492 -8.600 1.888 1.00 10.46 O ATOM 944 CB THR A 568 7.821 -6.121 0.372 1.00 10.95 C ATOM 945 OG1 THR A 568 7.186 -5.735 1.599 1.00 11.97 O ATOM 946 CG2 THR A 568 7.654 -5.049 -0.661 1.00 12.81 C ATOM 947 HG1 THR A 568 7.569 -4.877 1.912 1.00 0.00 H ATOM 948 H THR A 568 5.077 -7.221 0.150 1.00 0.00 H ATOM 949 N HIS A 569 8.525 -9.123 1.031 1.00 10.97 N ATOM 950 CA HIS A 569 8.796 -10.099 2.072 1.00 10.82 C ATOM 951 C HIS A 569 9.001 -9.421 3.415 1.00 10.62 C ATOM 952 O HIS A 569 8.571 -9.944 4.450 1.00 10.68 O ATOM 953 CB HIS A 569 10.008 -10.936 1.690 1.00 12.31 C ATOM 954 CG HIS A 569 9.792 -11.735 0.447 1.00 12.71 C ATOM 955 ND1 HIS A 569 8.918 -12.803 0.399 1.00 12.97 N ATOM 956 CD2 HIS A 569 10.285 -11.597 -0.806 1.00 11.75 C ATOM 957 CE1 HIS A 569 8.902 -13.298 -0.823 1.00 13.67 C ATOM 958 NE2 HIS A 569 9.704 -12.573 -1.584 1.00 13.85 N ATOM 959 H HIS A 569 9.232 -8.943 0.290 1.00 0.00 H ATOM 960 N ILE A 570 9.605 -8.231 3.430 1.00 11.66 N ATOM 961 CA ILE A 570 9.827 -7.575 4.711 1.00 10.73 C ATOM 962 C ILE A 570 8.509 -7.137 5.334 1.00 11.01 C ATOM 963 O ILE A 570 8.331 -7.225 6.553 1.00 10.93 O ATOM 964 CB ILE A 570 10.833 -6.415 4.601 1.00 10.77 C ATOM 965 CG1 ILE A 570 11.163 -5.877 5.983 1.00 11.71 C ATOM 966 CG2 ILE A 570 10.288 -5.283 3.706 1.00 13.46 C ATOM 967 CD1 ILE A 570 11.879 -6.864 6.886 1.00 12.58 C ATOM 968 H ILE A 570 9.911 -7.781 2.544 1.00 0.00 H ATOM 969 N PHE A 571 7.573 -6.614 4.530 1.00 10.64 N ATOM 970 CA PHE A 571 6.320 -6.177 5.132 1.00 10.67 C ATOM 971 C PHE A 571 5.540 -7.368 5.670 1.00 10.68 C ATOM 972 O PHE A 571 4.879 -7.252 6.705 1.00 11.64 O ATOM 973 CB PHE A 571 5.503 -5.309 4.173 1.00 11.57 C ATOM 974 CG PHE A 571 4.288 -4.658 4.796 1.00 13.54 C ATOM 975 CD1 PHE A 571 4.353 -3.993 6.000 1.00 13.33 C ATOM 976 CD2 PHE A 571 3.077 -4.695 4.129 1.00 18.23 C ATOM 977 CE1 PHE A 571 3.236 -3.414 6.559 1.00 14.83 C ATOM 978 CE2 PHE A 571 1.946 -4.100 4.677 1.00 19.75 C ATOM 979 CZ PHE A 571 2.034 -3.472 5.907 1.00 17.57 C ATOM 980 H PHE A 571 7.736 -6.523 3.507 1.00 0.00 H ATOM 981 N ALA A 572 5.636 -8.531 5.021 1.00 10.59 N ATOM 982 CA ALA A 572 5.026 -9.724 5.602 1.00 10.61 C ATOM 983 C ALA A 572 5.602 -10.028 6.971 1.00 10.73 C ATOM 984 O ALA A 572 4.861 -10.361 7.899 1.00 10.79 O ATOM 985 CB ALA A 572 5.237 -10.911 4.668 1.00 10.57 C ATOM 986 H ALA A 572 6.139 -8.587 4.113 1.00 0.00 H ATOM 987 N GLU A 573 6.921 -9.917 7.128 1.00 10.81 N ATOM 988 CA GLU A 573 7.537 -10.165 8.428 1.00 10.98 C ATOM 989 C GLU A 573 7.028 -9.177 9.473 1.00 11.07 C ATOM 990 O GLU A 573 6.634 -9.575 10.578 1.00 11.19 O ATOM 991 CB GLU A 573 9.054 -10.074 8.301 1.00 11.06 C ATOM 992 CG GLU A 573 9.819 -10.425 9.555 1.00 11.49 C ATOM 993 CD GLU A 573 9.839 -11.916 9.855 1.00 13.06 C ATOM 994 OE1 GLU A 573 9.389 -12.714 9.006 1.00 13.67 O ATOM 995 OE2 GLU A 573 10.322 -12.295 10.953 1.00 13.91 O ATOM 996 H GLU A 573 7.516 -9.651 6.318 1.00 0.00 H ATOM 997 N VAL A 574 6.969 -7.889 9.110 1.00 12.27 N ATOM 998 CA VAL A 574 6.523 -6.858 10.046 1.00 11.18 C ATOM 999 C VAL A 574 5.073 -7.077 10.448 1.00 11.18 C ATOM 1000 O VAL A 574 4.701 -6.950 11.632 1.00 11.35 O ATOM 1001 CB VAL A 574 6.778 -5.466 9.429 1.00 13.67 C ATOM 1002 CG1 VAL A 574 6.034 -4.405 10.181 1.00 19.07 C ATOM 1003 CG2 VAL A 574 8.279 -5.196 9.410 1.00 15.44 C ATOM 1004 H VAL A 574 7.245 -7.617 8.145 1.00 0.00 H ATOM 1005 N LEU A 575 4.225 -7.449 9.492 1.00 11.01 N ATOM 1006 CA LEU A 575 2.825 -7.687 9.818 1.00 11.01 C ATOM 1007 C LEU A 575 2.646 -8.928 10.684 1.00 11.06 C ATOM 1008 O LEU A 575 1.845 -8.932 11.631 1.00 11.16 O ATOM 1009 CB LEU A 575 2.008 -7.801 8.531 1.00 10.85 C ATOM 1010 CG LEU A 575 0.518 -8.138 8.682 1.00 14.18 C ATOM 1011 CD1 LEU A 575 -0.144 -7.127 9.599 1.00 15.31 C ATOM 1012 CD2 LEU A 575 -0.190 -8.154 7.315 1.00 12.06 C ATOM 1013 H LEU A 575 4.561 -7.569 8.515 1.00 0.00 H ATOM 1014 N LYS A 576 3.376 -10.007 10.378 1.00 11.01 N ATOM 1015 CA LYS A 576 3.346 -11.191 11.221 1.00 11.20 C ATOM 1016 C LYS A 576 3.696 -10.819 12.659 1.00 11.32 C ATOM 1017 O LYS A 576 3.039 -11.255 13.608 1.00 11.43 O ATOM 1018 CB LYS A 576 4.330 -12.219 10.654 1.00 11.94 C ATOM 1019 CG LYS A 576 4.588 -13.475 11.490 1.00 11.22 C ATOM 1020 CD LYS A 576 5.746 -13.335 12.438 1.00 11.44 C ATOM 1021 CE LYS A 576 7.062 -13.070 11.713 1.00 12.09 C ATOM 1022 NZ LYS A 576 8.234 -13.140 12.649 1.00 14.31 N ATOM 1023 HZ1 LYS A 576 8.122 -12.426 13.397 1.00 0.00 H ATOM 1024 HZ2 LYS A 576 8.279 -14.087 13.076 1.00 0.00 H ATOM 1025 HZ3 LYS A 576 9.110 -12.955 12.120 1.00 0.00 H ATOM 1026 H LYS A 576 3.972 -9.998 9.526 1.00 0.00 H ATOM 1027 N ASP A 577 4.757 -10.039 12.848 1.00 11.72 N ATOM 1028 CA ASP A 577 5.157 -9.712 14.205 1.00 11.11 C ATOM 1029 C ASP A 577 4.127 -8.807 14.870 1.00 12.60 C ATOM 1030 O ASP A 577 3.893 -8.917 16.081 1.00 12.55 O ATOM 1031 CB ASP A 577 6.541 -9.048 14.210 1.00 13.16 C ATOM 1032 CG ASP A 577 7.688 -10.049 14.065 1.00 18.97 C ATOM 1033 OD1 ASP A 577 7.546 -11.215 14.486 1.00 18.05 O ATOM 1034 OD2 ASP A 577 8.748 -9.629 13.553 1.00 22.11 O ATOM 1035 H ASP A 577 5.292 -9.669 12.036 1.00 0.00 H ATOM 1036 N ALA A 578 3.522 -7.888 14.105 1.00 11.03 N ATOM 1037 CA ALA A 578 2.487 -7.022 14.669 1.00 10.72 C ATOM 1038 C ALA A 578 1.277 -7.829 15.127 1.00 10.87 C ATOM 1039 O ALA A 578 0.747 -7.586 16.225 1.00 12.08 O ATOM 1040 CB ALA A 578 2.057 -5.952 13.673 1.00 10.88 C ATOM 1041 H ALA A 578 3.790 -7.790 13.105 1.00 0.00 H ATOM 1042 N ILE A 579 0.809 -8.763 14.302 1.00 10.81 N ATOM 1043 CA ILE A 579 -0.325 -9.587 14.704 1.00 10.62 C ATOM 1044 C ILE A 579 0.015 -10.351 15.973 1.00 11.19 C ATOM 1045 O ILE A 579 -0.801 -10.434 16.897 1.00 11.72 O ATOM 1046 CB ILE A 579 -0.773 -10.512 13.559 1.00 11.23 C ATOM 1047 CG1 ILE A 579 -1.383 -9.692 12.424 1.00 12.33 C ATOM 1048 CG2 ILE A 579 -1.761 -11.548 14.081 1.00 11.37 C ATOM 1049 CD1 ILE A 579 -1.731 -10.506 11.182 1.00 12.87 C ATOM 1050 H ILE A 579 1.252 -8.905 13.372 1.00 0.00 H ATOM 1051 N LYS A 580 1.214 -10.934 16.034 1.00 11.23 N ATOM 1052 CA LYS A 580 1.610 -11.695 17.205 1.00 12.45 C ATOM 1053 C LYS A 580 1.591 -10.821 18.447 1.00 12.62 C ATOM 1054 O LYS A 580 1.074 -11.211 19.495 1.00 13.30 O ATOM 1055 CB LYS A 580 3.004 -12.279 17.018 1.00 15.88 C ATOM 1056 CG LYS A 580 3.041 -13.589 16.282 1.00 20.46 C ATOM 1057 CD LYS A 580 4.487 -14.129 16.353 1.00 26.12 C ATOM 1058 CE LYS A 580 4.667 -15.349 15.491 1.00 35.81 C ATOM 1059 NZ LYS A 580 4.637 -16.591 16.296 1.00 40.68 N ATOM 1060 HZ1 LYS A 580 5.404 -16.567 16.997 1.00 0.00 H ATOM 1061 HZ2 LYS A 580 3.722 -16.664 16.784 1.00 0.00 H ATOM 1062 HZ3 LYS A 580 4.764 -17.412 15.670 1.00 0.00 H ATOM 1063 H LYS A 580 1.872 -10.842 15.234 1.00 0.00 H ATOM 1064 N ASP A 581 2.155 -9.619 18.343 1.00 12.87 N ATOM 1065 CA ASP A 581 2.183 -8.718 19.484 1.00 13.29 C ATOM 1066 C ASP A 581 0.776 -8.281 19.893 1.00 13.59 C ATOM 1067 O ASP A 581 0.478 -8.136 21.091 1.00 14.61 O ATOM 1068 CB ASP A 581 3.018 -7.480 19.135 1.00 14.75 C ATOM 1069 CG ASP A 581 4.509 -7.727 19.212 1.00 16.62 C ATOM 1070 OD1 ASP A 581 4.938 -8.512 20.093 1.00 22.06 O ATOM 1071 OD2 ASP A 581 5.256 -7.074 18.442 1.00 16.08 O ATOM 1072 H ASP A 581 2.578 -9.323 17.440 1.00 0.00 H ATOM 1073 N LEU A 582 -0.097 -8.050 18.912 1.00 13.01 N ATOM 1074 CA LEU A 582 -1.428 -7.533 19.195 1.00 13.40 C ATOM 1075 C LEU A 582 -2.278 -8.577 19.892 1.00 13.85 C ATOM 1076 O LEU A 582 -2.936 -8.287 20.898 1.00 14.71 O ATOM 1077 CB LEU A 582 -2.078 -7.093 17.889 1.00 17.16 C ATOM 1078 CG LEU A 582 -3.455 -6.457 17.969 1.00 19.67 C ATOM 1079 CD1 LEU A 582 -3.428 -5.280 18.930 1.00 31.82 C ATOM 1080 CD2 LEU A 582 -3.895 -6.009 16.590 1.00 29.80 C ATOM 1081 H LEU A 582 0.178 -8.243 17.928 1.00 0.00 H ATOM 1082 N VAL A 583 -2.288 -9.811 19.371 1.00 13.38 N ATOM 1083 CA VAL A 583 -3.184 -10.808 19.934 1.00 13.82 C ATOM 1084 C VAL A 583 -2.750 -11.219 21.330 1.00 14.76 C ATOM 1085 O VAL A 583 -3.585 -11.661 22.125 1.00 15.47 O ATOM 1086 CB VAL A 583 -3.405 -12.032 19.019 1.00 13.20 C ATOM 1087 CG1 VAL A 583 -4.011 -11.614 17.687 1.00 14.92 C ATOM 1088 CG2 VAL A 583 -2.162 -12.863 18.854 1.00 13.90 C ATOM 1089 H VAL A 583 -1.664 -10.052 18.575 1.00 0.00 H ATOM 1090 N MET A 584 -1.465 -11.078 21.655 1.00 15.06 N ATOM 1091 CA MET A 584 -0.981 -11.411 22.989 1.00 18.76 C ATOM 1092 C MET A 584 -1.580 -10.503 24.056 1.00 21.88 C ATOM 1093 O MET A 584 -1.545 -10.851 25.241 1.00 21.69 O ATOM 1094 CB MET A 584 0.548 -11.315 22.988 1.00 23.13 C ATOM 1095 CG MET A 584 1.277 -12.026 24.103 1.00 37.87 C ATOM 1096 SD MET A 584 3.069 -11.800 23.910 1.00 36.66 S ATOM 1097 CE MET A 584 3.389 -12.408 22.258 1.00 40.22 C ATOM 1098 H MET A 584 -0.795 -10.724 20.943 1.00 0.00 H ATOM 1099 N THR A 585 -2.141 -9.360 23.668 1.00 17.45 N ATOM 1100 CA THR A 585 -2.767 -8.436 24.609 1.00 17.70 C ATOM 1101 C THR A 585 -4.253 -8.703 24.797 1.00 19.92 C ATOM 1102 O THR A 585 -4.898 -7.990 25.577 1.00 21.95 O ATOM 1103 CB THR A 585 -2.621 -6.980 24.141 1.00 20.08 C ATOM 1104 OG1 THR A 585 -3.502 -6.730 23.030 1.00 19.31 O ATOM 1105 CG2 THR A 585 -1.205 -6.664 23.767 1.00 21.10 C ATOM 1106 HG1 THR A 585 -3.271 -7.338 22.284 1.00 0.00 H ATOM 1107 H THR A 585 -2.133 -9.116 22.657 1.00 0.00 H ATOM 1108 N LYS A 586 -4.820 -9.670 24.073 1.00 20.57 N ATOM 1109 CA LYS A 586 -6.244 -9.959 24.127 1.00 24.98 C ATOM 1110 C LYS A 586 -6.510 -11.255 24.893 1.00 25.10 C ATOM 1111 O LYS A 586 -5.630 -12.116 25.014 1.00 24.20 O ATOM 1112 CB LYS A 586 -6.819 -10.073 22.710 1.00 22.98 C ATOM 1113 CG LYS A 586 -6.481 -8.910 21.781 1.00 23.84 C ATOM 1114 CD LYS A 586 -7.164 -7.597 22.178 1.00 23.90 C ATOM 1115 CE LYS A 586 -6.743 -6.484 21.212 1.00 25.11 C ATOM 1116 NZ LYS A 586 -7.477 -5.199 21.497 1.00 25.76 N ATOM 1117 HZ1 LYS A 586 -8.500 -5.355 21.394 1.00 0.00 H ATOM 1118 HZ2 LYS A 586 -7.268 -4.890 22.468 1.00 0.00 H ATOM 1119 HZ3 LYS A 586 -7.168 -4.468 20.825 1.00 0.00 H ATOM 1120 H LYS A 586 -4.219 -10.240 23.444 1.00 0.00 H ATOM 1121 N PRO A 587 -7.704 -11.411 25.460 1.00 26.65 N ATOM 1122 CA PRO A 587 -8.020 -12.650 26.177 1.00 24.55 C ATOM 1123 C PRO A 587 -8.271 -13.784 25.191 1.00 26.25 C ATOM 1124 O PRO A 587 -8.447 -13.571 23.988 1.00 25.79 O ATOM 1125 CB PRO A 587 -9.290 -12.310 26.969 1.00 29.94 C ATOM 1126 CG PRO A 587 -9.955 -11.222 26.149 1.00 33.48 C ATOM 1127 CD PRO A 587 -8.839 -10.466 25.434 1.00 32.80 C ATOM 1128 N ALA A 588 -8.281 -15.005 25.725 1.00 22.46 N ATOM 1129 CA ALA A 588 -8.659 -16.159 24.921 1.00 24.41 C ATOM 1130 C ALA A 588 -10.099 -15.970 24.453 1.00 22.87 C ATOM 1131 O ALA A 588 -10.923 -15.422 25.192 1.00 24.19 O ATOM 1132 CB ALA A 588 -8.545 -17.442 25.742 1.00 26.93 C ATOM 1133 H ALA A 588 -8.017 -15.135 26.723 1.00 0.00 H ATOM 1134 N PRO A 589 -10.439 -16.395 23.234 1.00 18.65 N ATOM 1135 CA PRO A 589 -9.569 -17.168 22.331 1.00 19.20 C ATOM 1136 C PRO A 589 -8.645 -16.374 21.409 1.00 15.95 C ATOM 1137 O PRO A 589 -7.839 -16.978 20.713 1.00 15.66 O ATOM 1138 CB PRO A 589 -10.579 -17.953 21.483 1.00 17.89 C ATOM 1139 CG PRO A 589 -11.771 -16.999 21.389 1.00 23.33 C ATOM 1140 CD PRO A 589 -11.823 -16.286 22.731 1.00 23.14 C ATOM 1141 N THR A 590 -8.755 -15.043 21.426 1.00 15.94 N ATOM 1142 CA THR A 590 -8.011 -14.218 20.489 1.00 15.75 C ATOM 1143 C THR A 590 -6.513 -14.442 20.633 1.00 14.82 C ATOM 1144 O THR A 590 -5.785 -14.459 19.637 1.00 14.84 O ATOM 1145 CB THR A 590 -8.400 -12.751 20.695 1.00 23.41 C ATOM 1146 OG1 THR A 590 -9.797 -12.590 20.397 1.00 26.13 O ATOM 1147 CG2 THR A 590 -7.601 -11.829 19.787 1.00 19.94 C ATOM 1148 HG1 THR A 590 -10.330 -13.165 21.001 1.00 0.00 H ATOM 1149 H THR A 590 -9.383 -14.590 22.120 1.00 0.00 H ATOM 1150 N CYS A 591 -6.028 -14.626 21.868 1.00 16.37 N ATOM 1151 CA CYS A 591 -4.592 -14.819 22.053 1.00 16.32 C ATOM 1152 C CYS A 591 -4.093 -16.153 21.512 1.00 16.71 C ATOM 1153 O CYS A 591 -2.874 -16.350 21.423 1.00 16.29 O ATOM 1154 CB CYS A 591 -4.194 -14.693 23.522 1.00 17.70 C ATOM 1155 SG CYS A 591 -5.081 -15.848 24.604 1.00 19.99 S ATOM 1156 H CYS A 591 -6.668 -14.631 22.688 1.00 0.00 H ATOM 1157 N ASN A 592 -4.987 -17.052 21.119 1.00 15.78 N ATOM 1158 CA ASN A 592 -4.591 -18.331 20.557 1.00 16.36 C ATOM 1159 C ASN A 592 -4.456 -18.280 19.039 1.00 13.95 C ATOM 1160 O ASN A 592 -4.126 -19.302 18.427 1.00 13.79 O ATOM 1161 CB ASN A 592 -5.612 -19.402 20.933 1.00 15.60 C ATOM 1162 CG ASN A 592 -5.725 -19.600 22.423 1.00 23.16 C ATOM 1163 OD1 ASN A 592 -4.748 -19.430 23.150 1.00 26.23 O ATOM 1164 ND2 ASN A 592 -6.913 -19.973 22.887 1.00 26.05 N ATOM 1165 HD22 ASN A 592 -7.710 -20.104 22.231 1.00 0.00 H ATOM 1166 HD21 ASN A 592 -7.046 -20.134 23.906 1.00 0.00 H ATOM 1167 H ASN A 592 -5.999 -16.834 21.216 1.00 0.00 H ATOM 1168 N ILE A 593 -4.718 -17.127 18.418 1.00 13.34 N ATOM 1169 CA ILE A 593 -4.458 -16.953 16.996 1.00 12.44 C ATOM 1170 C ILE A 593 -2.974 -17.150 16.709 1.00 12.36 C ATOM 1171 O ILE A 593 -2.095 -16.710 17.462 1.00 12.88 O ATOM 1172 CB ILE A 593 -4.953 -15.571 16.527 1.00 13.99 C ATOM 1173 CG1 ILE A 593 -6.479 -15.511 16.623 1.00 12.95 C ATOM 1174 CG2 ILE A 593 -4.429 -15.255 15.117 1.00 12.78 C ATOM 1175 CD1 ILE A 593 -7.078 -14.141 16.364 1.00 13.87 C ATOM 1176 H ILE A 593 -5.117 -16.336 18.962 1.00 0.00 H ATOM 1177 N ARG A 594 -2.691 -17.852 15.623 1.00 11.84 N ATOM 1178 CA ARG A 594 -1.362 -18.176 15.164 1.00 11.77 C ATOM 1179 C ARG A 594 -1.127 -17.512 13.814 1.00 11.29 C ATOM 1180 O ARG A 594 -2.065 -17.299 13.034 1.00 10.59 O ATOM 1181 CB ARG A 594 -1.236 -19.690 14.981 1.00 12.15 C ATOM 1182 CG ARG A 594 -1.560 -20.482 16.195 1.00 19.40 C ATOM 1183 CD ARG A 594 -0.430 -20.434 17.207 1.00 17.36 C ATOM 1184 NE ARG A 594 0.855 -20.759 16.580 1.00 20.23 N ATOM 1185 CZ ARG A 594 1.301 -22.001 16.390 1.00 19.57 C ATOM 1186 NH1 ARG A 594 0.602 -23.037 16.811 1.00 21.14 N ATOM 1187 NH2 ARG A 594 2.478 -22.194 15.808 1.00 24.80 N ATOM 1188 HE ARG A 594 1.456 -19.971 16.264 1.00 0.00 H ATOM 1189 HH12 ARG A 594 0.959 -24.002 16.658 1.00 0.00 H ATOM 1190 HH11 ARG A 594 -0.306 -22.889 17.296 1.00 0.00 H ATOM 1191 HH22 ARG A 594 2.831 -23.160 15.657 1.00 0.00 H ATOM 1192 HH21 ARG A 594 3.047 -21.379 15.503 1.00 0.00 H ATOM 1193 H ARG A 594 -3.491 -18.198 15.055 1.00 0.00 H ATOM 1194 N VAL A 595 0.132 -17.196 13.531 1.00 10.93 N ATOM 1195 CA VAL A 595 0.490 -16.556 12.268 1.00 10.45 C ATOM 1196 C VAL A 595 1.856 -17.024 11.817 1.00 10.70 C ATOM 1197 O VAL A 595 2.782 -17.129 12.626 1.00 12.42 O ATOM 1198 CB VAL A 595 0.446 -15.022 12.384 1.00 12.62 C ATOM 1199 CG1 VAL A 595 1.280 -14.535 13.540 1.00 18.61 C ATOM 1200 CG2 VAL A 595 0.861 -14.382 11.108 1.00 16.36 C ATOM 1201 H VAL A 595 0.878 -17.409 14.223 1.00 0.00 H ATOM 1202 N THR A 596 1.993 -17.264 10.513 1.00 10.44 N ATOM 1203 CA THR A 596 3.283 -17.480 9.875 1.00 10.40 C ATOM 1204 C THR A 596 3.368 -16.684 8.588 1.00 9.90 C ATOM 1205 O THR A 596 2.388 -16.557 7.848 1.00 10.38 O ATOM 1206 CB THR A 596 3.557 -18.957 9.576 1.00 10.94 C ATOM 1207 OG1 THR A 596 4.869 -19.092 8.999 1.00 11.29 O ATOM 1208 CG2 THR A 596 2.526 -19.583 8.650 1.00 10.91 C ATOM 1209 HG1 THR A 596 4.914 -18.570 8.159 1.00 0.00 H ATOM 1210 H THR A 596 1.137 -17.299 9.923 1.00 0.00 H ATOM 1211 N VAL A 597 4.564 -16.165 8.301 1.00 10.00 N ATOM 1212 CA VAL A 597 4.828 -15.623 6.983 1.00 10.88 C ATOM 1213 C VAL A 597 4.795 -16.764 5.987 1.00 9.99 C ATOM 1214 O VAL A 597 5.094 -17.918 6.310 1.00 10.55 O ATOM 1215 CB VAL A 597 6.213 -14.952 6.994 1.00 11.39 C ATOM 1216 CG1 VAL A 597 6.702 -14.626 5.587 1.00 11.89 C ATOM 1217 CG2 VAL A 597 6.194 -13.677 7.828 1.00 12.16 C ATOM 1218 H VAL A 597 5.309 -16.150 9.026 1.00 0.00 H ATOM 1219 N CYS A 598 4.420 -16.442 4.753 1.00 10.26 N ATOM 1220 CA CYS A 598 4.526 -17.367 3.650 1.00 11.00 C ATOM 1221 C CYS A 598 5.141 -16.652 2.453 1.00 10.84 C ATOM 1222 O CYS A 598 5.242 -15.417 2.415 1.00 11.75 O ATOM 1223 CB CYS A 598 3.191 -18.048 3.313 1.00 15.79 C ATOM 1224 SG CYS A 598 1.826 -16.983 2.996 1.00 16.92 S ATOM 1225 H CYS A 598 4.037 -15.491 4.576 1.00 0.00 H ATOM 1226 N SER A 599 5.625 -17.442 1.514 1.00 12.25 N ATOM 1227 CA SER A 599 6.186 -16.899 0.288 1.00 13.68 C ATOM 1228 C SER A 599 5.687 -17.736 -0.876 1.00 12.37 C ATOM 1229 O SER A 599 5.466 -18.945 -0.741 1.00 12.49 O ATOM 1230 CB SER A 599 7.717 -16.872 0.319 1.00 12.49 C ATOM 1231 OG SER A 599 8.250 -18.166 0.199 1.00 17.12 O ATOM 1232 HG SER A 599 7.928 -18.725 0.950 1.00 0.00 H ATOM 1233 H SER A 599 5.605 -18.472 1.653 1.00 0.00 H ATOM 1234 N PHE A 600 5.515 -17.076 -2.020 1.00 11.26 N ATOM 1235 CA PHE A 600 4.983 -17.679 -3.241 1.00 10.72 C ATOM 1236 C PHE A 600 6.058 -17.618 -4.316 1.00 11.23 C ATOM 1237 O PHE A 600 6.395 -16.530 -4.794 1.00 11.73 O ATOM 1238 CB PHE A 600 3.721 -16.941 -3.718 1.00 10.91 C ATOM 1239 CG PHE A 600 2.642 -16.873 -2.670 1.00 10.97 C ATOM 1240 CD1 PHE A 600 1.847 -17.965 -2.403 1.00 11.98 C ATOM 1241 CD2 PHE A 600 2.426 -15.715 -1.953 1.00 12.41 C ATOM 1242 CE1 PHE A 600 0.871 -17.913 -1.425 1.00 14.40 C ATOM 1243 CE2 PHE A 600 1.447 -15.651 -0.974 1.00 12.65 C ATOM 1244 CZ PHE A 600 0.670 -16.761 -0.711 1.00 10.98 C ATOM 1245 H PHE A 600 5.775 -16.069 -2.046 1.00 0.00 H ATOM 1246 N ASP A 601 6.567 -18.777 -4.731 1.00 12.01 N ATOM 1247 CA ASP A 601 7.747 -18.786 -5.584 1.00 11.02 C ATOM 1248 C ASP A 601 7.534 -17.995 -6.855 1.00 12.48 C ATOM 1249 O ASP A 601 8.429 -17.270 -7.300 1.00 13.65 O ATOM 1250 CB ASP A 601 8.145 -20.207 -5.950 1.00 11.99 C ATOM 1251 CG ASP A 601 8.800 -20.950 -4.814 1.00 17.32 C ATOM 1252 OD1 ASP A 601 8.739 -20.450 -3.657 1.00 16.92 O ATOM 1253 OD2 ASP A 601 9.337 -22.055 -5.099 1.00 17.33 O ATOM 1254 H ASP A 601 6.123 -19.673 -4.446 1.00 0.00 H ATOM 1255 N ASP A 602 6.370 -18.151 -7.484 1.00 11.59 N ATOM 1256 CA ASP A 602 6.083 -17.504 -8.755 1.00 12.50 C ATOM 1257 C ASP A 602 5.092 -16.363 -8.597 1.00 14.55 C ATOM 1258 O ASP A 602 4.577 -15.847 -9.594 1.00 15.70 O ATOM 1259 CB ASP A 602 5.582 -18.548 -9.753 1.00 13.04 C ATOM 1260 CG ASP A 602 6.604 -19.661 -9.993 1.00 16.71 C ATOM 1261 OD1 ASP A 602 7.826 -19.376 -9.897 1.00 15.76 O ATOM 1262 OD2 ASP A 602 6.174 -20.802 -10.295 1.00 16.88 O ATOM 1263 H ASP A 602 5.642 -18.755 -7.052 1.00 0.00 H ATOM 1264 N GLY A 603 4.842 -15.936 -7.365 1.00 12.16 N ATOM 1265 CA GLY A 603 3.815 -14.962 -7.073 1.00 13.58 C ATOM 1266 C GLY A 603 2.442 -15.574 -7.235 1.00 11.75 C ATOM 1267 O GLY A 603 2.314 -16.723 -7.663 1.00 14.04 O ATOM 1268 H GLY A 603 5.407 -16.317 -6.580 1.00 0.00 H ATOM 1269 N VAL A 604 1.421 -14.786 -6.901 1.00 13.31 N ATOM 1270 CA VAL A 604 0.026 -15.087 -7.185 1.00 12.97 C ATOM 1271 C VAL A 604 -0.510 -13.978 -8.062 1.00 14.50 C ATOM 1272 O VAL A 604 -0.482 -12.796 -7.663 1.00 13.84 O ATOM 1273 CB VAL A 604 -0.802 -15.216 -5.900 1.00 12.50 C ATOM 1274 CG1 VAL A 604 -2.249 -15.566 -6.237 1.00 13.77 C ATOM 1275 CG2 VAL A 604 -0.213 -16.312 -5.015 1.00 14.62 C ATOM 1276 H VAL A 604 1.635 -13.897 -6.405 1.00 0.00 H ATOM 1277 N ASP A 605 -1.056 -14.331 -9.211 1.00 12.75 N ATOM 1278 CA ASP A 605 -1.543 -13.351 -10.177 1.00 13.42 C ATOM 1279 C ASP A 605 -2.985 -12.971 -9.842 1.00 13.41 C ATOM 1280 O ASP A 605 -3.937 -13.385 -10.505 1.00 15.18 O ATOM 1281 CB ASP A 605 -1.423 -13.917 -11.585 1.00 14.17 C ATOM 1282 CG ASP A 605 -1.709 -12.888 -12.663 1.00 21.28 C ATOM 1283 OD1 ASP A 605 -1.652 -11.678 -12.354 1.00 23.59 O ATOM 1284 OD2 ASP A 605 -1.990 -13.295 -13.812 1.00 29.24 O ATOM 1285 H ASP A 605 -1.142 -15.343 -9.436 1.00 0.00 H ATOM 1286 N LEU A 606 -3.137 -12.128 -8.823 1.00 12.98 N ATOM 1287 CA LEU A 606 -4.466 -11.744 -8.381 1.00 13.54 C ATOM 1288 C LEU A 606 -5.197 -10.988 -9.485 1.00 13.57 C ATOM 1289 O LEU A 606 -4.581 -10.197 -10.202 1.00 14.17 O ATOM 1290 CB LEU A 606 -4.372 -10.852 -7.156 1.00 12.84 C ATOM 1291 CG LEU A 606 -3.801 -11.510 -5.900 1.00 12.03 C ATOM 1292 CD1 LEU A 606 -3.654 -10.425 -4.788 1.00 12.04 C ATOM 1293 CD2 LEU A 606 -4.643 -12.649 -5.407 1.00 11.72 C ATOM 1294 H LEU A 606 -2.300 -11.743 -8.341 1.00 0.00 H ATOM 1295 N PRO A 607 -6.511 -11.196 -9.642 1.00 13.65 N ATOM 1296 CA PRO A 607 -7.234 -10.670 -10.809 1.00 14.45 C ATOM 1297 C PRO A 607 -7.655 -9.205 -10.731 1.00 15.72 C ATOM 1298 O PRO A 607 -8.307 -8.722 -11.673 1.00 16.80 O ATOM 1299 CB PRO A 607 -8.487 -11.550 -10.840 1.00 14.41 C ATOM 1300 CG PRO A 607 -8.716 -11.858 -9.368 1.00 13.57 C ATOM 1301 CD PRO A 607 -7.356 -12.079 -8.816 1.00 13.16 C ATOM 1302 OXT PRO A 607 -7.357 -8.505 -9.760 1.00 15.05 O TER 1303 PRO A 607 ATOM 1304 N SER B 474 -16.292 -45.244 -7.875 1.00 57.37 N ATOM 1305 CA SER B 474 -17.631 -44.668 -7.859 1.00 41.99 C ATOM 1306 C SER B 474 -17.627 -43.222 -8.357 1.00 29.04 C ATOM 1307 O SER B 474 -18.674 -42.658 -8.653 1.00 30.85 O ATOM 1308 CB SER B 474 -18.270 -44.781 -6.465 1.00 44.93 C ATOM 1309 OG SER B 474 -18.720 -46.111 -6.277 1.00 76.05 O ATOM 1310 HG SER B 474 -19.134 -46.195 -5.381 1.00 0.00 H ATOM 1311 HN3 SER B 474 -15.668 -44.685 -7.258 1.00 0.00 H ATOM 1312 HN2 SER B 474 -15.922 -45.232 -8.847 1.00 0.00 H ATOM 1313 HN1 SER B 474 -16.334 -46.225 -7.531 1.00 0.00 H ATOM 1314 N ASN B 475 -16.442 -42.640 -8.500 1.00 29.69 N ATOM 1315 CA ASN B 475 -16.296 -41.262 -8.963 1.00 24.87 C ATOM 1316 C ASN B 475 -15.281 -41.250 -10.095 1.00 24.07 C ATOM 1317 O ASN B 475 -14.102 -40.929 -9.876 1.00 22.25 O ATOM 1318 CB ASN B 475 -15.826 -40.360 -7.826 1.00 23.05 C ATOM 1319 CG ASN B 475 -16.825 -40.284 -6.690 1.00 23.90 C ATOM 1320 OD1 ASN B 475 -18.031 -40.365 -6.895 1.00 27.43 O ATOM 1321 ND2 ASN B 475 -16.317 -40.109 -5.477 1.00 28.45 N ATOM 1322 HD22 ASN B 475 -15.287 -40.046 -5.349 1.00 0.00 H ATOM 1323 HD21 ASN B 475 -16.949 -40.035 -4.654 1.00 0.00 H ATOM 1324 H ASN B 475 -15.586 -43.185 -8.274 1.00 0.00 H ATOM 1325 N PRO B 476 -15.702 -41.610 -11.314 1.00 29.67 N ATOM 1326 CA PRO B 476 -14.706 -41.800 -12.381 1.00 28.65 C ATOM 1327 C PRO B 476 -13.965 -40.530 -12.745 1.00 26.75 C ATOM 1328 O PRO B 476 -12.786 -40.612 -13.101 1.00 24.36 O ATOM 1329 CB PRO B 476 -15.522 -42.368 -13.549 1.00 41.71 C ATOM 1330 CG PRO B 476 -16.898 -41.820 -13.336 1.00 48.94 C ATOM 1331 CD PRO B 476 -17.086 -41.658 -11.825 1.00 30.20 C ATOM 1332 N LYS B 477 -14.610 -39.361 -12.659 1.00 22.78 N ATOM 1333 CA LYS B 477 -13.924 -38.112 -12.965 1.00 22.60 C ATOM 1334 C LYS B 477 -12.782 -37.866 -11.989 1.00 18.89 C ATOM 1335 O LYS B 477 -11.645 -37.612 -12.395 1.00 17.96 O ATOM 1336 CB LYS B 477 -14.919 -36.947 -12.952 1.00 24.01 C ATOM 1337 CG LYS B 477 -14.307 -35.552 -13.133 1.00 29.02 C ATOM 1338 CD LYS B 477 -13.469 -35.438 -14.404 1.00 30.94 C ATOM 1339 CE LYS B 477 -14.303 -35.572 -15.654 1.00 36.85 C ATOM 1340 NZ LYS B 477 -15.455 -34.609 -15.725 1.00 35.51 N ATOM 1341 HZ1 LYS B 477 -16.087 -34.766 -14.914 1.00 0.00 H ATOM 1342 HZ2 LYS B 477 -15.093 -33.634 -15.699 1.00 0.00 H ATOM 1343 HZ3 LYS B 477 -15.979 -34.762 -16.610 1.00 0.00 H ATOM 1344 H LYS B 477 -15.609 -39.343 -12.371 1.00 0.00 H ATOM 1345 N PHE B 478 -13.065 -37.940 -10.684 1.00 18.49 N ATOM 1346 CA PHE B 478 -12.008 -37.690 -9.717 1.00 16.78 C ATOM 1347 C PHE B 478 -10.928 -38.760 -9.821 1.00 16.73 C ATOM 1348 O PHE B 478 -9.741 -38.460 -9.696 1.00 15.81 O ATOM 1349 CB PHE B 478 -12.543 -37.629 -8.272 1.00 17.79 C ATOM 1350 CG PHE B 478 -13.727 -36.730 -8.087 1.00 17.40 C ATOM 1351 CD1 PHE B 478 -13.888 -35.583 -8.862 1.00 17.16 C ATOM 1352 CD2 PHE B 478 -14.696 -37.038 -7.145 1.00 18.52 C ATOM 1353 CE1 PHE B 478 -15.008 -34.769 -8.696 1.00 18.10 C ATOM 1354 CE2 PHE B 478 -15.815 -36.237 -6.978 1.00 21.59 C ATOM 1355 CZ PHE B 478 -15.974 -35.106 -7.761 1.00 19.16 C ATOM 1356 H PHE B 478 -14.027 -38.173 -10.365 1.00 0.00 H ATOM 1357 N GLU B 479 -11.327 -40.014 -10.073 1.00 18.48 N ATOM 1358 CA GLU B 479 -10.355 -41.096 -10.188 1.00 20.02 C ATOM 1359 C GLU B 479 -9.497 -40.940 -11.434 1.00 18.64 C ATOM 1360 O GLU B 479 -8.301 -41.231 -11.402 1.00 18.11 O ATOM 1361 CB GLU B 479 -11.071 -42.448 -10.205 1.00 21.44 C ATOM 1362 CG GLU B 479 -11.678 -42.841 -8.877 1.00 25.52 C ATOM 1363 CD GLU B 479 -12.936 -43.686 -9.025 1.00 46.75 C ATOM 1364 OE1 GLU B 479 -13.753 -43.677 -8.078 1.00 35.77 O ATOM 1365 OE2 GLU B 479 -13.108 -44.349 -10.074 1.00 56.36 O ATOM 1366 H GLU B 479 -12.340 -40.218 -10.188 1.00 0.00 H ATOM 1367 N ASN B 480 -10.068 -40.424 -12.519 1.00 19.11 N ATOM 1368 CA ASN B 480 -9.284 -40.235 -13.732 1.00 19.10 C ATOM 1369 C ASN B 480 -8.233 -39.148 -13.549 1.00 16.96 C ATOM 1370 O ASN B 480 -7.104 -39.285 -14.039 1.00 16.66 O ATOM 1371 CB ASN B 480 -10.218 -39.914 -14.901 1.00 22.80 C ATOM 1372 CG ASN B 480 -9.469 -39.665 -16.192 1.00 30.71 C ATOM 1373 OD1 ASN B 480 -8.882 -40.572 -16.786 1.00 36.67 O ATOM 1374 ND2 ASN B 480 -9.492 -38.423 -16.633 1.00 22.62 N ATOM 1375 HD22 ASN B 480 -10.001 -37.691 -16.098 1.00 0.00 H ATOM 1376 HD21 ASN B 480 -9.002 -38.176 -17.516 1.00 0.00 H ATOM 1377 H ASN B 480 -11.073 -40.156 -12.501 1.00 0.00 H ATOM 1378 N ILE B 481 -8.593 -38.061 -12.859 1.00 15.72 N ATOM 1379 CA ILE B 481 -7.630 -37.008 -12.551 1.00 13.96 C ATOM 1380 C ILE B 481 -6.531 -37.570 -11.660 1.00 13.44 C ATOM 1381 O ILE B 481 -5.334 -37.383 -11.911 1.00 14.16 O ATOM 1382 CB ILE B 481 -8.347 -35.797 -11.922 1.00 13.35 C ATOM 1383 CG1 ILE B 481 -9.286 -35.153 -12.954 1.00 14.49 C ATOM 1384 CG2 ILE B 481 -7.349 -34.767 -11.400 1.00 17.16 C ATOM 1385 CD1 ILE B 481 -10.268 -34.109 -12.363 1.00 14.66 C ATOM 1386 H ILE B 481 -9.577 -37.964 -12.536 1.00 0.00 H ATOM 1387 N ALA B 482 -6.931 -38.341 -10.650 1.00 13.70 N ATOM 1388 CA ALA B 482 -5.942 -38.977 -9.792 1.00 14.61 C ATOM 1389 C ALA B 482 -5.000 -39.867 -10.592 1.00 14.15 C ATOM 1390 O ALA B 482 -3.777 -39.835 -10.388 1.00 15.66 O ATOM 1391 CB ALA B 482 -6.628 -39.772 -8.692 1.00 14.40 C ATOM 1392 H ALA B 482 -7.946 -38.488 -10.475 1.00 0.00 H ATOM 1393 N GLU B 483 -5.531 -40.674 -11.513 1.00 15.76 N ATOM 1394 CA GLU B 483 -4.649 -41.529 -12.300 1.00 16.87 C ATOM 1395 C GLU B 483 -3.680 -40.710 -13.148 1.00 16.65 C ATOM 1396 O GLU B 483 -2.504 -41.079 -13.294 1.00 16.64 O ATOM 1397 CB GLU B 483 -5.456 -42.484 -13.178 1.00 19.16 C ATOM 1398 CG GLU B 483 -4.574 -43.552 -13.853 1.00 26.54 C ATOM 1399 CD GLU B 483 -3.453 -44.103 -12.937 1.00 51.46 C ATOM 1400 OE1 GLU B 483 -3.777 -44.652 -11.854 1.00 47.51 O ATOM 1401 OE2 GLU B 483 -2.250 -43.964 -13.296 1.00 41.10 O ATOM 1402 H GLU B 483 -6.559 -40.693 -11.667 1.00 0.00 H ATOM 1403 N GLY B 484 -4.164 -39.627 -13.759 1.00 16.40 N ATOM 1404 CA GLY B 484 -3.288 -38.781 -14.550 1.00 15.45 C ATOM 1405 C GLY B 484 -2.196 -38.145 -13.707 1.00 14.90 C ATOM 1406 O GLY B 484 -1.034 -38.087 -14.121 1.00 15.63 O ATOM 1407 H GLY B 484 -5.172 -39.388 -13.668 1.00 0.00 H ATOM 1408 N LEU B 485 -2.549 -37.688 -12.509 1.00 14.80 N ATOM 1409 CA LEU B 485 -1.538 -37.133 -11.626 1.00 15.49 C ATOM 1410 C LEU B 485 -0.532 -38.189 -11.234 1.00 16.26 C ATOM 1411 O LEU B 485 0.680 -37.952 -11.264 1.00 17.58 O ATOM 1412 CB LEU B 485 -2.212 -36.566 -10.381 1.00 16.58 C ATOM 1413 CG LEU B 485 -2.799 -35.175 -10.450 1.00 26.00 C ATOM 1414 CD1 LEU B 485 -3.485 -34.879 -9.099 1.00 23.28 C ATOM 1415 CD2 LEU B 485 -1.726 -34.157 -10.766 1.00 20.61 C ATOM 1416 H LEU B 485 -3.543 -37.728 -12.206 1.00 0.00 H ATOM 1417 N ARG B 486 -1.017 -39.377 -10.853 1.00 16.25 N ATOM 1418 CA ARG B 486 -0.123 -40.440 -10.426 1.00 17.25 C ATOM 1419 C ARG B 486 0.905 -40.771 -11.495 1.00 17.94 C ATOM 1420 O ARG B 486 2.065 -41.048 -11.177 1.00 19.24 O ATOM 1421 CB ARG B 486 -0.913 -41.698 -10.071 1.00 19.56 C ATOM 1422 CG ARG B 486 -1.643 -41.632 -8.744 1.00 19.70 C ATOM 1423 CD ARG B 486 -2.116 -43.024 -8.272 1.00 23.55 C ATOM 1424 NE ARG B 486 -3.171 -42.903 -7.259 1.00 23.78 N ATOM 1425 CZ ARG B 486 -4.470 -42.994 -7.525 1.00 25.76 C ATOM 1426 NH1 ARG B 486 -4.866 -43.234 -8.768 1.00 24.46 N ATOM 1427 NH2 ARG B 486 -5.371 -42.850 -6.553 1.00 24.94 N ATOM 1428 HE ARG B 486 -2.885 -42.736 -6.273 1.00 0.00 H ATOM 1429 HH12 ARG B 486 -5.880 -43.307 -8.986 1.00 0.00 H ATOM 1430 HH11 ARG B 486 -4.162 -43.349 -9.525 1.00 0.00 H ATOM 1431 HH22 ARG B 486 -6.386 -42.923 -6.770 1.00 0.00 H ATOM 1432 HH21 ARG B 486 -5.059 -42.665 -5.578 1.00 0.00 H ATOM 1433 H ARG B 486 -2.044 -39.541 -10.863 1.00 0.00 H ATOM 1434 N ALA B 487 0.485 -40.799 -12.766 1.00 17.51 N ATOM 1435 CA ALA B 487 1.402 -41.149 -13.847 1.00 18.73 C ATOM 1436 C ALA B 487 2.518 -40.119 -13.959 1.00 19.56 C ATOM 1437 O ALA B 487 3.682 -40.467 -14.189 1.00 21.60 O ATOM 1438 CB ALA B 487 0.634 -41.263 -15.166 1.00 19.41 C ATOM 1439 H ALA B 487 -0.505 -40.569 -12.986 1.00 0.00 H ATOM 1440 N LEU B 488 2.181 -38.847 -13.779 1.00 18.69 N ATOM 1441 CA LEU B 488 3.205 -37.811 -13.812 1.00 19.70 C ATOM 1442 C LEU B 488 4.083 -37.877 -12.569 1.00 20.69 C ATOM 1443 O LEU B 488 5.305 -37.698 -12.654 1.00 23.25 O ATOM 1444 CB LEU B 488 2.549 -36.436 -13.947 1.00 18.77 C ATOM 1445 CG LEU B 488 1.866 -36.197 -15.301 1.00 18.33 C ATOM 1446 CD1 LEU B 488 0.764 -35.130 -15.226 1.00 17.95 C ATOM 1447 CD2 LEU B 488 2.911 -35.818 -16.350 1.00 20.78 C ATOM 1448 H LEU B 488 1.187 -38.591 -13.615 1.00 0.00 H ATOM 1449 N LEU B 489 3.476 -38.120 -11.408 1.00 20.65 N ATOM 1450 CA LEU B 489 4.248 -38.197 -10.178 1.00 21.25 C ATOM 1451 C LEU B 489 5.121 -39.439 -10.133 1.00 22.70 C ATOM 1452 O LEU B 489 6.085 -39.463 -9.363 1.00 24.35 O ATOM 1453 CB LEU B 489 3.314 -38.172 -8.974 1.00 20.63 C ATOM 1454 CG LEU B 489 2.540 -36.867 -8.762 1.00 19.93 C ATOM 1455 CD1 LEU B 489 1.470 -37.039 -7.710 1.00 19.72 C ATOM 1456 CD2 LEU B 489 3.460 -35.694 -8.383 1.00 21.28 C ATOM 1457 H LEU B 489 2.445 -38.255 -11.381 1.00 0.00 H ATOM 1458 N ALA B 490 4.803 -40.464 -10.934 1.00 32.66 N ATOM 1459 CA ALA B 490 5.568 -41.705 -10.929 1.00 24.55 C ATOM 1460 C ALA B 490 7.006 -41.477 -11.350 1.00 26.41 C ATOM 1461 O ALA B 490 7.871 -42.299 -11.041 1.00 28.43 O ATOM 1462 CB ALA B 490 4.928 -42.697 -11.897 1.00 34.34 C ATOM 1463 H ALA B 490 3.990 -40.372 -11.576 1.00 0.00 H ATOM 1464 N ARG B 491 7.271 -40.379 -12.053 1.00 29.03 N ATOM 1465 CA ARG B 491 8.599 -40.101 -12.585 1.00 33.74 C ATOM 1466 C ARG B 491 9.560 -39.617 -11.507 1.00 30.49 C ATOM 1467 O ARG B 491 10.755 -39.459 -11.786 1.00 33.09 O ATOM 1468 CB ARG B 491 8.499 -39.038 -13.690 1.00 44.39 C ATOM 1469 CG ARG B 491 7.239 -39.123 -14.573 1.00 58.19 C ATOM 1470 CD ARG B 491 7.392 -40.123 -15.726 1.00 54.95 C ATOM 1471 NE ARG B 491 6.159 -40.329 -16.490 1.00 61.63 N ATOM 1472 CZ ARG B 491 5.482 -39.371 -17.123 1.00 62.80 C ATOM 1473 NH1 ARG B 491 5.911 -38.112 -17.107 1.00 64.80 N ATOM 1474 NH2 ARG B 491 4.375 -39.676 -17.789 1.00 47.24 N ATOM 1475 HE ARG B 491 5.783 -41.297 -16.543 1.00 0.00 H ATOM 1476 HH12 ARG B 491 5.374 -37.373 -17.605 1.00 0.00 H ATOM 1477 HH11 ARG B 491 6.783 -37.866 -16.597 1.00 0.00 H ATOM 1478 HH22 ARG B 491 3.844 -38.931 -18.284 1.00 0.00 H ATOM 1479 HH21 ARG B 491 4.039 -40.660 -17.816 1.00 0.00 H ATOM 1480 H ARG B 491 6.506 -39.697 -12.229 1.00 0.00 H ATOM 1481 N SER B 492 9.058 -39.362 -10.300 1.00 25.02 N ATOM 1482 CA SER B 492 9.852 -38.873 -9.186 1.00 23.84 C ATOM 1483 C SER B 492 9.668 -39.792 -7.983 1.00 28.13 C ATOM 1484 O SER B 492 8.594 -40.361 -7.773 1.00 27.80 O ATOM 1485 CB SER B 492 9.418 -37.459 -8.810 1.00 29.19 C ATOM 1486 OG SER B 492 10.054 -37.047 -7.612 1.00 34.65 O ATOM 1487 HG SER B 492 11.036 -37.060 -7.740 1.00 0.00 H ATOM 1488 H SER B 492 8.042 -39.522 -10.147 1.00 0.00 H ATOM 1489 N HIS B 493 10.730 -39.941 -7.200 1.00 25.75 N ATOM 1490 CA HIS B 493 10.655 -40.740 -5.983 1.00 31.70 C ATOM 1491 C HIS B 493 11.087 -39.950 -4.758 1.00 25.25 C ATOM 1492 O HIS B 493 11.592 -40.517 -3.787 1.00 32.27 O ATOM 1493 CB HIS B 493 11.455 -42.030 -6.126 1.00 31.82 C ATOM 1494 CG HIS B 493 10.907 -42.958 -7.161 1.00 47.67 C ATOM 1495 ND1 HIS B 493 11.144 -42.796 -8.520 1.00 53.50 N ATOM 1496 CD2 HIS B 493 10.105 -44.043 -7.062 1.00 55.42 C ATOM 1497 CE1 HIS B 493 10.526 -43.740 -9.191 1.00 53.99 C ATOM 1498 NE2 HIS B 493 9.888 -44.523 -8.328 1.00 59.89 N ATOM 1499 H HIS B 493 11.627 -39.482 -7.458 1.00 0.00 H ATOM 1500 N VAL B 494 10.866 -38.637 -4.783 1.00 21.66 N ATOM 1501 CA VAL B 494 11.325 -37.792 -3.691 1.00 20.36 C ATOM 1502 C VAL B 494 10.463 -38.017 -2.453 1.00 19.64 C ATOM 1503 O VAL B 494 9.289 -38.412 -2.540 1.00 21.12 O ATOM 1504 CB VAL B 494 11.366 -36.296 -4.065 1.00 19.68 C ATOM 1505 CG1 VAL B 494 12.274 -36.066 -5.245 1.00 20.00 C ATOM 1506 CG2 VAL B 494 9.965 -35.747 -4.333 1.00 19.77 C ATOM 1507 H VAL B 494 10.362 -38.213 -5.588 1.00 0.00 H ATOM 1508 N GLU B 495 11.031 -37.742 -1.283 1.00 19.50 N ATOM 1509 CA GLU B 495 10.303 -37.944 -0.036 1.00 19.17 C ATOM 1510 C GLU B 495 9.114 -36.994 0.082 1.00 17.08 C ATOM 1511 O GLU B 495 9.226 -35.785 -0.194 1.00 17.74 O ATOM 1512 CB GLU B 495 11.235 -37.759 1.164 1.00 19.66 C ATOM 1513 CG GLU B 495 12.267 -38.897 1.337 1.00 29.13 C ATOM 1514 CD GLU B 495 11.648 -40.291 1.353 1.00 55.37 C ATOM 1515 OE1 GLU B 495 12.178 -41.189 0.664 1.00 64.75 O ATOM 1516 OE2 GLU B 495 10.628 -40.487 2.050 1.00 67.82 O ATOM 1517 H GLU B 495 12.005 -37.379 -1.257 1.00 0.00 H ATOM 1518 N ARG B 496 7.963 -37.548 0.481 1.00 16.78 N ATOM 1519 CA ARG B 496 6.740 -36.775 0.672 1.00 15.00 C ATOM 1520 C ARG B 496 6.465 -36.447 2.131 1.00 14.39 C ATOM 1521 O ARG B 496 5.593 -35.618 2.411 1.00 13.44 O ATOM 1522 CB ARG B 496 5.536 -37.546 0.116 1.00 15.71 C ATOM 1523 CG ARG B 496 5.568 -37.837 -1.369 1.00 16.42 C ATOM 1524 CD ARG B 496 4.333 -38.562 -1.804 1.00 17.35 C ATOM 1525 NE ARG B 496 4.383 -38.863 -3.232 1.00 18.30 N ATOM 1526 CZ ARG B 496 3.332 -39.215 -3.957 1.00 19.07 C ATOM 1527 NH1 ARG B 496 2.137 -39.363 -3.400 1.00 19.11 N ATOM 1528 NH2 ARG B 496 3.480 -39.457 -5.248 1.00 20.10 N ATOM 1529 HE ARG B 496 5.304 -38.797 -3.711 1.00 0.00 H ATOM 1530 HH12 ARG B 496 1.322 -39.640 -3.984 1.00 0.00 H ATOM 1531 HH11 ARG B 496 2.015 -39.202 -2.380 1.00 0.00 H ATOM 1532 HH22 ARG B 496 2.659 -39.734 -5.823 1.00 0.00 H ATOM 1533 HH21 ARG B 496 4.418 -39.371 -5.689 1.00 0.00 H ATOM 1534 H ARG B 496 7.939 -38.572 0.662 1.00 0.00 H ATOM 1535 N THR B 497 7.145 -37.110 3.055 1.00 15.77 N ATOM 1536 CA THR B 497 6.922 -36.908 4.477 1.00 15.62 C ATOM 1537 C THR B 497 8.265 -36.771 5.165 1.00 16.44 C ATOM 1538 O THR B 497 9.314 -37.099 4.597 1.00 17.56 O ATOM 1539 CB THR B 497 6.185 -38.096 5.108 1.00 17.35 C ATOM 1540 OG1 THR B 497 6.984 -39.279 4.970 1.00 20.04 O ATOM 1541 CG2 THR B 497 4.815 -38.311 4.459 1.00 21.54 C ATOM 1542 HG1 THR B 497 6.509 -40.046 5.377 1.00 0.00 H ATOM 1543 H THR B 497 7.863 -37.799 2.752 1.00 0.00 H ATOM 1544 N THR B 498 8.226 -36.318 6.418 1.00 12.80 N ATOM 1545 CA THR B 498 9.418 -36.209 7.235 1.00 13.97 C ATOM 1546 C THR B 498 9.137 -36.793 8.612 1.00 13.14 C ATOM 1547 O THR B 498 7.988 -36.901 9.042 1.00 13.75 O ATOM 1548 CB THR B 498 9.878 -34.750 7.456 1.00 12.65 C ATOM 1549 OG1 THR B 498 8.883 -34.048 8.216 1.00 13.13 O ATOM 1550 CG2 THR B 498 10.151 -34.056 6.131 1.00 13.07 C ATOM 1551 HG1 THR B 498 9.177 -33.113 8.358 1.00 0.00 H ATOM 1552 H THR B 498 7.311 -36.034 6.822 1.00 0.00 H ATOM 1553 N ASP B 499 10.211 -37.075 9.337 1.00 13.34 N ATOM 1554 CA ASP B 499 10.044 -37.533 10.713 1.00 14.19 C ATOM 1555 C ASP B 499 9.460 -36.431 11.587 1.00 14.46 C ATOM 1556 O ASP B 499 8.760 -36.723 12.567 1.00 16.36 O ATOM 1557 CB ASP B 499 11.371 -38.027 11.292 1.00 14.32 C ATOM 1558 CG ASP B 499 11.183 -38.731 12.634 1.00 20.61 C ATOM 1559 OD1 ASP B 499 10.376 -39.692 12.712 1.00 23.82 O ATOM 1560 OD2 ASP B 499 11.839 -38.332 13.615 1.00 22.48 O ATOM 1561 H ASP B 499 11.162 -36.971 8.930 1.00 0.00 H ATOM 1562 N GLU B 500 9.747 -35.171 11.264 1.00 14.33 N ATOM 1563 CA GLU B 500 9.190 -34.057 12.021 1.00 15.23 C ATOM 1564 C GLU B 500 7.689 -33.939 11.810 1.00 14.76 C ATOM 1565 O GLU B 500 6.966 -33.537 12.728 1.00 16.02 O ATOM 1566 CB GLU B 500 9.866 -32.754 11.601 1.00 18.84 C ATOM 1567 CG GLU B 500 11.317 -32.605 12.083 1.00 22.26 C ATOM 1568 CD GLU B 500 12.311 -33.569 11.403 1.00 25.15 C ATOM 1569 OE1 GLU B 500 12.092 -33.846 10.194 1.00 19.01 O ATOM 1570 OE2 GLU B 500 13.304 -34.024 12.070 1.00 21.02 O ATOM 1571 H GLU B 500 10.378 -34.979 10.460 1.00 0.00 H ATOM 1572 N GLY B 501 7.205 -34.258 10.618 1.00 13.56 N ATOM 1573 CA GLY B 501 5.781 -34.267 10.349 1.00 14.91 C ATOM 1574 C GLY B 501 5.163 -32.903 10.169 1.00 16.23 C ATOM 1575 O GLY B 501 3.931 -32.790 10.157 1.00 17.17 O ATOM 1576 H GLY B 501 7.865 -34.509 9.855 1.00 0.00 H ATOM 1577 N THR B 502 5.968 -31.862 10.050 1.00 12.87 N ATOM 1578 CA THR B 502 5.466 -30.502 10.011 1.00 12.36 C ATOM 1579 C THR B 502 5.085 -30.084 8.584 1.00 13.07 C ATOM 1580 O THR B 502 5.657 -30.544 7.589 1.00 12.67 O ATOM 1581 CB THR B 502 6.531 -29.571 10.594 1.00 14.13 C ATOM 1582 OG1 THR B 502 7.788 -29.880 9.984 1.00 13.57 O ATOM 1583 CG2 THR B 502 6.651 -29.768 12.104 1.00 15.99 C ATOM 1584 HG1 THR B 502 8.488 -29.284 10.352 1.00 0.00 H ATOM 1585 H THR B 502 6.993 -32.023 9.982 1.00 0.00 H ATOM 1586 N TRP B 503 4.110 -29.174 8.508 1.00 11.46 N ATOM 1587 CA TRP B 503 3.510 -28.715 7.256 1.00 11.21 C ATOM 1588 C TRP B 503 4.221 -27.410 6.907 1.00 11.64 C ATOM 1589 O TRP B 503 3.836 -26.329 7.356 1.00 13.18 O ATOM 1590 CB TRP B 503 1.983 -28.572 7.415 1.00 10.97 C ATOM 1591 CG TRP B 503 1.379 -29.857 7.900 1.00 11.92 C ATOM 1592 CD1 TRP B 503 1.034 -30.157 9.179 1.00 12.16 C ATOM 1593 CD2 TRP B 503 1.101 -31.030 7.115 1.00 11.26 C ATOM 1594 NE1 TRP B 503 0.571 -31.445 9.250 1.00 12.79 N ATOM 1595 CE2 TRP B 503 0.601 -32.003 8.000 1.00 12.43 C ATOM 1596 CE3 TRP B 503 1.204 -31.338 5.750 1.00 11.62 C ATOM 1597 CZ2 TRP B 503 0.212 -33.287 7.566 1.00 13.25 C ATOM 1598 CZ3 TRP B 503 0.820 -32.594 5.323 1.00 13.06 C ATOM 1599 CH2 TRP B 503 0.330 -33.557 6.228 1.00 12.51 C ATOM 1600 HE1 TRP B 503 0.248 -31.923 10.116 1.00 0.00 H ATOM 1601 H TRP B 503 3.755 -28.766 9.396 1.00 0.00 H ATOM 1602 N VAL B 504 5.281 -27.522 6.110 1.00 11.08 N ATOM 1603 CA VAL B 504 6.197 -26.402 5.879 1.00 12.25 C ATOM 1604 C VAL B 504 6.187 -25.896 4.450 1.00 10.98 C ATOM 1605 O VAL B 504 6.769 -24.824 4.193 1.00 11.11 O ATOM 1606 CB VAL B 504 7.634 -26.740 6.303 1.00 11.98 C ATOM 1607 CG1 VAL B 504 7.670 -26.993 7.803 1.00 16.84 C ATOM 1608 CG2 VAL B 504 8.156 -27.912 5.532 1.00 15.12 C ATOM 1609 H VAL B 504 5.464 -28.430 5.638 1.00 0.00 H ATOM 1610 N ALA B 505 5.576 -26.609 3.527 1.00 10.87 N ATOM 1611 CA ALA B 505 5.548 -26.201 2.144 1.00 11.54 C ATOM 1612 C ALA B 505 4.165 -26.504 1.599 1.00 11.60 C ATOM 1613 O ALA B 505 3.284 -27.013 2.296 1.00 11.71 O ATOM 1614 CB ALA B 505 6.636 -26.918 1.338 1.00 16.61 C ATOM 1615 H ALA B 505 5.100 -27.492 3.803 1.00 0.00 H ATOM 1616 N GLY B 506 3.982 -26.208 0.326 1.00 12.94 N ATOM 1617 CA GLY B 506 2.689 -26.460 -0.273 1.00 12.73 C ATOM 1618 C GLY B 506 2.682 -25.989 -1.701 1.00 9.98 C ATOM 1619 O GLY B 506 3.694 -25.553 -2.248 1.00 10.70 O ATOM 1620 H GLY B 506 4.755 -25.800 -0.238 1.00 0.00 H ATOM 1621 N VAL B 507 1.523 -26.186 -2.329 1.00 10.99 N ATOM 1622 CA VAL B 507 1.238 -25.584 -3.619 1.00 11.43 C ATOM 1623 C VAL B 507 -0.066 -24.818 -3.511 1.00 10.70 C ATOM 1624 O VAL B 507 -1.010 -25.258 -2.837 1.00 12.51 O ATOM 1625 CB VAL B 507 1.237 -26.583 -4.799 1.00 13.42 C ATOM 1626 CG1 VAL B 507 2.633 -27.199 -4.950 1.00 16.60 C ATOM 1627 CG2 VAL B 507 0.172 -27.628 -4.659 1.00 17.27 C ATOM 1628 H VAL B 507 0.802 -26.788 -1.882 1.00 0.00 H ATOM 1629 N PHE B 508 -0.094 -23.653 -4.138 1.00 11.52 N ATOM 1630 CA PHE B 508 -1.228 -22.739 -4.154 1.00 9.99 C ATOM 1631 C PHE B 508 -1.788 -22.775 -5.574 1.00 10.64 C ATOM 1632 O PHE B 508 -1.068 -22.473 -6.539 1.00 10.62 O ATOM 1633 CB PHE B 508 -0.739 -21.342 -3.775 1.00 11.28 C ATOM 1634 CG PHE B 508 -1.834 -20.352 -3.615 1.00 10.06 C ATOM 1635 CD1 PHE B 508 -2.398 -20.124 -2.374 1.00 13.96 C ATOM 1636 CD2 PHE B 508 -2.287 -19.628 -4.685 1.00 12.90 C ATOM 1637 CE1 PHE B 508 -3.417 -19.209 -2.229 1.00 13.32 C ATOM 1638 CE2 PHE B 508 -3.308 -18.701 -4.519 1.00 12.92 C ATOM 1639 CZ PHE B 508 -3.859 -18.504 -3.301 1.00 13.11 C ATOM 1640 H PHE B 508 0.759 -23.368 -4.660 1.00 0.00 H ATOM 1641 N VAL B 509 -3.033 -23.232 -5.708 1.00 10.07 N ATOM 1642 CA VAL B 509 -3.635 -23.599 -6.992 1.00 10.61 C ATOM 1643 C VAL B 509 -4.843 -22.696 -7.218 1.00 10.04 C ATOM 1644 O VAL B 509 -5.681 -22.553 -6.326 1.00 10.49 O ATOM 1645 CB VAL B 509 -4.076 -25.077 -6.968 1.00 10.48 C ATOM 1646 CG1 VAL B 509 -4.506 -25.528 -8.347 1.00 12.27 C ATOM 1647 CG2 VAL B 509 -2.946 -25.987 -6.467 1.00 12.32 C ATOM 1648 H VAL B 509 -3.611 -23.334 -4.850 1.00 0.00 H ATOM 1649 N TYR B 510 -4.945 -22.083 -8.395 1.00 10.21 N ATOM 1650 CA TYR B 510 -5.983 -21.070 -8.556 1.00 10.40 C ATOM 1651 C TYR B 510 -6.370 -20.934 -10.010 1.00 11.32 C ATOM 1652 O TYR B 510 -5.711 -21.468 -10.891 1.00 11.79 O ATOM 1653 CB TYR B 510 -5.562 -19.709 -7.966 1.00 10.99 C ATOM 1654 CG TYR B 510 -4.348 -19.058 -8.578 1.00 10.59 C ATOM 1655 CD1 TYR B 510 -3.060 -19.510 -8.296 1.00 11.75 C ATOM 1656 CD2 TYR B 510 -4.490 -17.970 -9.419 1.00 11.40 C ATOM 1657 CE1 TYR B 510 -1.946 -18.897 -8.856 1.00 11.18 C ATOM 1658 CE2 TYR B 510 -3.395 -17.359 -9.977 1.00 11.99 C ATOM 1659 CZ TYR B 510 -2.121 -17.799 -9.668 1.00 11.38 C ATOM 1660 OH TYR B 510 -1.065 -17.123 -10.258 1.00 12.71 O ATOM 1661 HH TYR B 510 -0.210 -17.526 -9.963 1.00 0.00 H ATOM 1662 H TYR B 510 -4.303 -22.319 -9.178 1.00 0.00 H ATOM 1663 N GLY B 511 -7.416 -20.152 -10.259 1.00 12.52 N ATOM 1664 CA GLY B 511 -7.861 -19.898 -11.619 1.00 11.95 C ATOM 1665 C GLY B 511 -8.671 -21.041 -12.202 1.00 14.93 C ATOM 1666 O GLY B 511 -9.301 -21.851 -11.507 1.00 17.21 O ATOM 1667 H GLY B 511 -7.926 -19.714 -9.465 1.00 0.00 H ATOM 1668 N GLY B 512 -8.636 -21.112 -13.524 1.00 12.39 N ATOM 1669 CA GLY B 512 -9.474 -22.072 -14.205 1.00 12.41 C ATOM 1670 C GLY B 512 -10.926 -21.690 -14.048 1.00 19.91 C ATOM 1671 O GLY B 512 -11.354 -20.628 -14.496 1.00 24.49 O ATOM 1672 H GLY B 512 -8.011 -20.483 -14.067 1.00 0.00 H ATOM 1673 N SER B 513 -11.694 -22.563 -13.417 1.00 15.91 N ATOM 1674 CA SER B 513 -13.046 -22.273 -12.994 1.00 13.82 C ATOM 1675 C SER B 513 -13.238 -22.932 -11.641 1.00 14.19 C ATOM 1676 O SER B 513 -12.441 -23.780 -11.222 1.00 13.82 O ATOM 1677 CB SER B 513 -14.087 -22.880 -13.925 1.00 14.97 C ATOM 1678 OG SER B 513 -13.939 -24.288 -13.944 1.00 15.22 O ATOM 1679 HG SER B 513 -14.616 -24.682 -14.549 1.00 0.00 H ATOM 1680 H SER B 513 -11.305 -23.506 -13.215 1.00 0.00 H ATOM 1681 N LYS B 514 -14.326 -22.568 -10.961 1.00 12.44 N ATOM 1682 CA LYS B 514 -14.602 -23.164 -9.659 1.00 12.20 C ATOM 1683 C LYS B 514 -14.712 -24.685 -9.773 1.00 11.80 C ATOM 1684 O LYS B 514 -14.107 -25.422 -8.982 1.00 12.86 O ATOM 1685 CB LYS B 514 -15.868 -22.565 -9.049 1.00 13.80 C ATOM 1686 CG LYS B 514 -16.126 -23.059 -7.619 1.00 15.15 C ATOM 1687 CD LYS B 514 -17.453 -22.562 -7.027 1.00 17.82 C ATOM 1688 CE LYS B 514 -17.616 -21.038 -7.049 1.00 18.55 C ATOM 1689 NZ LYS B 514 -19.038 -20.612 -6.751 1.00 20.40 N ATOM 1690 HZ1 LYS B 514 -19.677 -21.017 -7.465 1.00 0.00 H ATOM 1691 HZ2 LYS B 514 -19.310 -20.954 -5.807 1.00 0.00 H ATOM 1692 HZ3 LYS B 514 -19.100 -19.574 -6.777 1.00 0.00 H ATOM 1693 H LYS B 514 -14.976 -21.860 -11.359 1.00 0.00 H ATOM 1694 N THR B 515 -15.439 -25.166 -10.783 1.00 12.58 N ATOM 1695 CA THR B 515 -15.661 -26.601 -10.911 1.00 12.07 C ATOM 1696 C THR B 515 -14.385 -27.346 -11.305 1.00 13.14 C ATOM 1697 O THR B 515 -14.111 -28.441 -10.790 1.00 12.27 O ATOM 1698 CB THR B 515 -16.792 -26.837 -11.906 1.00 13.47 C ATOM 1699 OG1 THR B 515 -17.990 -26.239 -11.388 1.00 16.71 O ATOM 1700 CG2 THR B 515 -17.006 -28.300 -12.091 1.00 19.81 C ATOM 1701 HG1 THR B 515 -18.733 -26.385 -12.026 1.00 0.00 H ATOM 1702 H THR B 515 -15.849 -24.514 -11.482 1.00 0.00 H ATOM 1703 N SER B 516 -13.596 -26.784 -12.220 1.00 13.81 N ATOM 1704 CA SER B 516 -12.357 -27.450 -12.617 1.00 11.79 C ATOM 1705 C SER B 516 -11.375 -27.533 -11.452 1.00 11.49 C ATOM 1706 O SER B 516 -10.695 -28.550 -11.277 1.00 11.70 O ATOM 1707 CB SER B 516 -11.734 -26.784 -13.841 1.00 15.44 C ATOM 1708 OG SER B 516 -11.303 -25.468 -13.597 1.00 17.51 O ATOM 1709 HG SER B 516 -12.075 -24.916 -13.316 1.00 0.00 H ATOM 1710 H SER B 516 -13.861 -25.875 -12.650 1.00 0.00 H ATOM 1711 N LEU B 517 -11.291 -26.476 -10.629 1.00 11.85 N ATOM 1712 CA LEU B 517 -10.447 -26.528 -9.443 1.00 11.07 C ATOM 1713 C LEU B 517 -10.960 -27.571 -8.454 1.00 12.03 C ATOM 1714 O LEU B 517 -10.167 -28.274 -7.825 1.00 11.15 O ATOM 1715 CB LEU B 517 -10.395 -25.159 -8.758 1.00 12.68 C ATOM 1716 CG LEU B 517 -9.503 -24.090 -9.340 1.00 14.39 C ATOM 1717 CD1 LEU B 517 -9.726 -22.784 -8.543 1.00 16.15 C ATOM 1718 CD2 LEU B 517 -8.049 -24.540 -9.281 1.00 13.59 C ATOM 1719 H LEU B 517 -11.833 -25.613 -10.840 1.00 0.00 H ATOM 1720 N TYR B 518 -12.283 -27.644 -8.268 1.00 11.89 N ATOM 1721 CA TYR B 518 -12.849 -28.632 -7.365 1.00 11.68 C ATOM 1722 C TYR B 518 -12.439 -30.028 -7.800 1.00 11.60 C ATOM 1723 O TYR B 518 -11.974 -30.845 -7.004 1.00 11.95 O ATOM 1724 CB TYR B 518 -14.381 -28.489 -7.317 1.00 11.72 C ATOM 1725 CG TYR B 518 -14.999 -29.425 -6.321 1.00 12.07 C ATOM 1726 CD1 TYR B 518 -15.141 -29.059 -4.979 1.00 13.65 C ATOM 1727 CD2 TYR B 518 -15.416 -30.685 -6.704 1.00 13.84 C ATOM 1728 CE1 TYR B 518 -15.676 -29.934 -4.072 1.00 15.68 C ATOM 1729 CE2 TYR B 518 -15.942 -31.568 -5.783 1.00 12.94 C ATOM 1730 CZ TYR B 518 -16.067 -31.175 -4.477 1.00 14.61 C ATOM 1731 OH TYR B 518 -16.597 -32.014 -3.507 1.00 21.45 O ATOM 1732 HH TYR B 518 -16.601 -31.546 -2.634 1.00 0.00 H ATOM 1733 H TYR B 518 -12.912 -26.988 -8.774 1.00 0.00 H ATOM 1734 N ASN B 519 -12.596 -30.310 -9.089 1.00 11.74 N ATOM 1735 CA ASN B 519 -12.275 -31.628 -9.606 1.00 11.96 C ATOM 1736 C ASN B 519 -10.801 -31.942 -9.397 1.00 11.84 C ATOM 1737 O ASN B 519 -10.447 -33.050 -8.981 1.00 12.65 O ATOM 1738 CB ASN B 519 -12.644 -31.688 -11.087 1.00 12.15 C ATOM 1739 CG ASN B 519 -14.149 -31.603 -11.323 1.00 13.05 C ATOM 1740 OD1 ASN B 519 -14.960 -31.747 -10.394 1.00 13.75 O ATOM 1741 ND2 ASN B 519 -14.530 -31.343 -12.557 1.00 12.89 N ATOM 1742 HD22 ASN B 519 -13.819 -31.229 -13.308 1.00 0.00 H ATOM 1743 HD21 ASN B 519 -15.542 -31.251 -12.781 1.00 0.00 H ATOM 1744 H ASN B 519 -12.953 -29.578 -9.735 1.00 0.00 H ATOM 1745 N LEU B 520 -9.926 -30.968 -9.659 1.00 11.60 N ATOM 1746 CA LEU B 520 -8.501 -31.188 -9.416 1.00 11.54 C ATOM 1747 C LEU B 520 -8.232 -31.463 -7.939 1.00 11.46 C ATOM 1748 O LEU B 520 -7.409 -32.322 -7.593 1.00 11.78 O ATOM 1749 CB LEU B 520 -7.716 -29.964 -9.877 1.00 11.89 C ATOM 1750 CG LEU B 520 -6.199 -30.068 -9.695 1.00 12.33 C ATOM 1751 CD1 LEU B 520 -5.597 -31.226 -10.450 1.00 12.73 C ATOM 1752 CD2 LEU B 520 -5.534 -28.764 -10.136 1.00 11.25 C ATOM 1753 H LEU B 520 -10.257 -30.056 -10.034 1.00 0.00 H ATOM 1754 N ARG B 521 -8.869 -30.697 -7.056 1.00 11.63 N ATOM 1755 CA ARG B 521 -8.723 -30.901 -5.620 1.00 11.35 C ATOM 1756 C ARG B 521 -9.115 -32.317 -5.226 1.00 11.85 C ATOM 1757 O ARG B 521 -8.401 -32.974 -4.460 1.00 12.54 O ATOM 1758 CB ARG B 521 -9.601 -29.868 -4.912 1.00 11.14 C ATOM 1759 CG ARG B 521 -9.685 -29.950 -3.407 1.00 11.75 C ATOM 1760 CD ARG B 521 -10.503 -28.727 -2.879 1.00 11.80 C ATOM 1761 NE ARG B 521 -10.880 -28.909 -1.478 1.00 11.90 N ATOM 1762 CZ ARG B 521 -11.941 -29.589 -1.075 1.00 11.98 C ATOM 1763 NH1 ARG B 521 -12.767 -30.118 -1.960 1.00 13.69 N ATOM 1764 NH2 ARG B 521 -12.203 -29.702 0.220 1.00 12.80 N ATOM 1765 HE ARG B 521 -10.275 -28.476 -0.751 1.00 0.00 H ATOM 1766 HH12 ARG B 521 -13.600 -30.652 -1.640 1.00 0.00 H ATOM 1767 HH11 ARG B 521 -12.584 -30.001 -2.977 1.00 0.00 H ATOM 1768 HH22 ARG B 521 -13.037 -30.236 0.537 1.00 0.00 H ATOM 1769 HH21 ARG B 521 -11.575 -29.256 0.919 1.00 0.00 H ATOM 1770 H ARG B 521 -9.486 -29.934 -7.399 1.00 0.00 H ATOM 1771 N ARG B 522 -10.243 -32.815 -5.757 1.00 11.85 N ATOM 1772 CA ARG B 522 -10.645 -34.192 -5.466 1.00 12.26 C ATOM 1773 C ARG B 522 -9.625 -35.204 -5.986 1.00 12.45 C ATOM 1774 O ARG B 522 -9.321 -36.194 -5.310 1.00 12.84 O ATOM 1775 CB ARG B 522 -12.039 -34.488 -6.033 1.00 12.54 C ATOM 1776 CG ARG B 522 -13.165 -33.675 -5.421 1.00 12.50 C ATOM 1777 CD ARG B 522 -13.388 -33.934 -3.933 1.00 15.42 C ATOM 1778 NE ARG B 522 -13.695 -35.332 -3.639 1.00 14.82 N ATOM 1779 CZ ARG B 522 -14.921 -35.813 -3.441 1.00 21.62 C ATOM 1780 NH1 ARG B 522 -15.983 -35.010 -3.496 1.00 23.29 N ATOM 1781 NH2 ARG B 522 -15.087 -37.112 -3.192 1.00 22.46 N ATOM 1782 HE ARG B 522 -12.899 -35.999 -3.580 1.00 0.00 H ATOM 1783 HH12 ARG B 522 -16.936 -35.396 -3.340 1.00 0.00 H ATOM 1784 HH11 ARG B 522 -15.859 -33.997 -3.695 1.00 0.00 H ATOM 1785 HH22 ARG B 522 -16.042 -37.494 -3.037 1.00 0.00 H ATOM 1786 HH21 ARG B 522 -14.262 -37.744 -3.153 1.00 0.00 H ATOM 1787 H ARG B 522 -10.832 -32.222 -6.376 1.00 0.00 H ATOM 1788 N GLY B 523 -9.093 -34.983 -7.189 1.00 12.56 N ATOM 1789 CA GLY B 523 -8.104 -35.906 -7.725 1.00 12.88 C ATOM 1790 C GLY B 523 -6.791 -35.871 -6.957 1.00 12.55 C ATOM 1791 O GLY B 523 -6.151 -36.910 -6.752 1.00 12.91 O ATOM 1792 H GLY B 523 -9.385 -34.152 -7.743 1.00 0.00 H ATOM 1793 N THR B 524 -6.393 -34.675 -6.523 1.00 12.17 N ATOM 1794 CA THR B 524 -5.187 -34.537 -5.709 1.00 12.13 C ATOM 1795 C THR B 524 -5.305 -35.317 -4.408 1.00 12.36 C ATOM 1796 O THR B 524 -4.351 -35.972 -3.976 1.00 13.29 O ATOM 1797 CB THR B 524 -4.888 -33.056 -5.450 1.00 12.32 C ATOM 1798 OG1 THR B 524 -4.725 -32.372 -6.707 1.00 12.13 O ATOM 1799 CG2 THR B 524 -3.625 -32.894 -4.627 1.00 13.54 C ATOM 1800 HG1 THR B 524 -5.558 -32.453 -7.236 1.00 0.00 H ATOM 1801 H THR B 524 -6.948 -33.830 -6.767 1.00 0.00 H ATOM 1802 N ALA B 525 -6.471 -35.267 -3.757 1.00 12.36 N ATOM 1803 CA ALA B 525 -6.655 -36.005 -2.505 1.00 12.67 C ATOM 1804 C ALA B 525 -6.450 -37.500 -2.684 1.00 13.26 C ATOM 1805 O ALA B 525 -5.902 -38.180 -1.804 1.00 14.59 O ATOM 1806 CB ALA B 525 -8.065 -35.766 -1.977 1.00 13.18 C ATOM 1807 H ALA B 525 -7.253 -34.700 -4.142 1.00 0.00 H ATOM 1808 N LEU B 526 -6.900 -38.044 -3.813 1.00 13.65 N ATOM 1809 CA LEU B 526 -6.772 -39.471 -4.067 1.00 13.95 C ATOM 1810 C LEU B 526 -5.350 -39.846 -4.440 1.00 16.32 C ATOM 1811 O LEU B 526 -4.857 -40.893 -4.014 1.00 16.84 O ATOM 1812 CB LEU B 526 -7.699 -39.865 -5.209 1.00 15.55 C ATOM 1813 CG LEU B 526 -9.198 -39.858 -4.936 1.00 14.18 C ATOM 1814 CD1 LEU B 526 -9.991 -39.932 -6.250 1.00 18.58 C ATOM 1815 CD2 LEU B 526 -9.551 -40.980 -3.978 1.00 17.68 C ATOM 1816 H LEU B 526 -7.352 -37.437 -4.527 1.00 0.00 H ATOM 1817 N ALA B 527 -4.686 -39.012 -5.235 1.00 13.75 N ATOM 1818 CA ALA B 527 -3.331 -39.311 -5.678 1.00 14.27 C ATOM 1819 C ALA B 527 -2.278 -39.069 -4.608 1.00 13.97 C ATOM 1820 O ALA B 527 -1.183 -39.638 -4.699 1.00 15.59 O ATOM 1821 CB ALA B 527 -2.997 -38.453 -6.900 1.00 13.68 C ATOM 1822 H ALA B 527 -5.142 -38.131 -5.546 1.00 0.00 H ATOM 1823 N ILE B 528 -2.570 -38.233 -3.614 1.00 13.72 N ATOM 1824 CA ILE B 528 -1.568 -37.839 -2.628 1.00 13.76 C ATOM 1825 C ILE B 528 -2.163 -37.961 -1.226 1.00 13.64 C ATOM 1826 O ILE B 528 -2.527 -36.954 -0.604 1.00 13.25 O ATOM 1827 CB ILE B 528 -1.039 -36.423 -2.904 1.00 15.36 C ATOM 1828 CG1 ILE B 528 -0.730 -36.264 -4.391 1.00 17.32 C ATOM 1829 CG2 ILE B 528 0.205 -36.161 -2.042 1.00 15.52 C ATOM 1830 CD1 ILE B 528 -0.134 -34.916 -4.735 1.00 19.50 C ATOM 1831 H ILE B 528 -3.535 -37.852 -3.538 1.00 0.00 H ATOM 1832 N PRO B 529 -2.234 -39.191 -0.693 1.00 14.22 N ATOM 1833 CA PRO B 529 -2.737 -39.351 0.680 1.00 14.93 C ATOM 1834 C PRO B 529 -1.942 -38.572 1.698 1.00 14.22 C ATOM 1835 O PRO B 529 -2.463 -38.297 2.783 1.00 15.27 O ATOM 1836 CB PRO B 529 -2.594 -40.856 0.960 1.00 19.41 C ATOM 1837 CG PRO B 529 -2.341 -41.507 -0.334 1.00 22.57 C ATOM 1838 CD PRO B 529 -1.953 -40.465 -1.362 1.00 14.85 C ATOM 1839 N GLN B 530 -0.697 -38.221 1.382 1.00 14.14 N ATOM 1840 CA GLN B 530 0.205 -37.572 2.326 1.00 14.07 C ATOM 1841 C GLN B 530 0.015 -36.064 2.409 1.00 14.20 C ATOM 1842 O GLN B 530 0.654 -35.441 3.266 1.00 14.07 O ATOM 1843 CB GLN B 530 1.652 -37.822 1.879 1.00 14.65 C ATOM 1844 CG GLN B 530 2.038 -39.294 1.693 1.00 18.26 C ATOM 1845 CD GLN B 530 1.721 -39.908 0.312 1.00 20.19 C ATOM 1846 OE1 GLN B 530 1.237 -39.259 -0.597 1.00 15.57 O ATOM 1847 NE2 GLN B 530 2.022 -41.197 0.175 1.00 28.29 N ATOM 1848 HE22 GLN B 530 2.435 -41.722 0.972 1.00 0.00 H ATOM 1849 HE21 GLN B 530 1.845 -41.679 -0.729 1.00 0.00 H ATOM 1850 H GLN B 530 -0.353 -38.418 0.420 1.00 0.00 H ATOM 1851 N CYS B 531 -0.830 -35.465 1.552 1.00 13.01 N ATOM 1852 CA CYS B 531 -1.126 -34.036 1.575 1.00 12.48 C ATOM 1853 C CYS B 531 -2.337 -33.736 2.446 1.00 12.39 C ATOM 1854 O CYS B 531 -3.052 -34.638 2.917 1.00 12.73 O ATOM 1855 CB CYS B 531 -1.400 -33.505 0.164 1.00 12.17 C ATOM 1856 SG CYS B 531 -2.872 -33.609 -0.554 1.00 12.15 S ATOM 1857 H CYS B 531 -1.299 -36.052 0.833 1.00 0.00 H ATOM 1858 N ARG B 532 -2.543 -32.435 2.693 1.00 12.00 N ATOM 1859 CA ARG B 532 -3.790 -31.934 3.256 1.00 11.89 C ATOM 1860 C ARG B 532 -4.260 -30.770 2.403 1.00 11.47 C ATOM 1861 O ARG B 532 -3.444 -30.045 1.827 1.00 11.24 O ATOM 1862 CB ARG B 532 -3.626 -31.518 4.698 1.00 11.99 C ATOM 1863 CG ARG B 532 -3.159 -32.661 5.609 1.00 13.10 C ATOM 1864 CD ARG B 532 -4.226 -33.770 5.765 1.00 12.91 C ATOM 1865 NE ARG B 532 -3.814 -34.738 6.778 1.00 13.51 N ATOM 1866 CZ ARG B 532 -3.184 -35.872 6.513 1.00 14.70 C ATOM 1867 NH1 ARG B 532 -2.903 -36.220 5.261 1.00 15.71 N ATOM 1868 NH2 ARG B 532 -2.844 -36.679 7.519 1.00 18.20 N ATOM 1869 HE ARG B 532 -4.030 -34.523 7.772 1.00 0.00 H ATOM 1870 HH12 ARG B 532 -2.408 -37.114 5.068 1.00 0.00 H ATOM 1871 HH11 ARG B 532 -3.179 -35.598 4.474 1.00 0.00 H ATOM 1872 HH22 ARG B 532 -2.349 -37.573 7.324 1.00 0.00 H ATOM 1873 HH21 ARG B 532 -3.074 -36.415 8.498 1.00 0.00 H ATOM 1874 H ARG B 532 -1.785 -31.758 2.475 1.00 0.00 H ATOM 1875 N LEU B 533 -5.580 -30.611 2.291 1.00 11.44 N ATOM 1876 CA LEU B 533 -6.142 -29.623 1.383 1.00 11.24 C ATOM 1877 C LEU B 533 -7.124 -28.691 2.071 1.00 11.08 C ATOM 1878 O LEU B 533 -7.951 -29.128 2.877 1.00 11.98 O ATOM 1879 CB LEU B 533 -6.900 -30.314 0.268 1.00 12.72 C ATOM 1880 CG LEU B 533 -6.073 -31.314 -0.525 1.00 11.65 C ATOM 1881 CD1 LEU B 533 -6.907 -32.440 -1.128 1.00 13.89 C ATOM 1882 CD2 LEU B 533 -5.336 -30.588 -1.615 1.00 13.92 C ATOM 1883 H LEU B 533 -6.217 -31.203 2.862 1.00 0.00 H ATOM 1884 N THR B 534 -7.067 -27.406 1.710 1.00 12.14 N ATOM 1885 CA THR B 534 -8.147 -26.527 2.106 1.00 10.82 C ATOM 1886 C THR B 534 -9.362 -26.745 1.224 1.00 10.91 C ATOM 1887 O THR B 534 -9.257 -27.244 0.107 1.00 10.87 O ATOM 1888 CB THR B 534 -7.762 -25.050 2.011 1.00 10.59 C ATOM 1889 OG1 THR B 534 -7.540 -24.677 0.647 1.00 10.50 O ATOM 1890 CG2 THR B 534 -6.524 -24.743 2.818 1.00 11.75 C ATOM 1891 HG1 THR B 534 -8.368 -24.828 0.126 1.00 0.00 H ATOM 1892 H THR B 534 -6.264 -27.045 1.156 1.00 0.00 H ATOM 1893 N PRO B 535 -10.522 -26.304 1.686 1.00 11.09 N ATOM 1894 CA PRO B 535 -11.627 -26.080 0.749 1.00 11.23 C ATOM 1895 C PRO B 535 -11.232 -25.089 -0.336 1.00 10.89 C ATOM 1896 O PRO B 535 -10.252 -24.340 -0.217 1.00 10.95 O ATOM 1897 CB PRO B 535 -12.732 -25.484 1.632 1.00 13.46 C ATOM 1898 CG PRO B 535 -12.377 -25.870 3.033 1.00 14.24 C ATOM 1899 CD PRO B 535 -10.871 -25.996 3.080 1.00 11.78 C ATOM 1900 N LEU B 536 -12.040 -25.047 -1.395 1.00 10.97 N ATOM 1901 CA LEU B 536 -11.987 -23.893 -2.281 1.00 11.16 C ATOM 1902 C LEU B 536 -12.379 -22.616 -1.540 1.00 10.92 C ATOM 1903 O LEU B 536 -13.267 -22.605 -0.682 1.00 11.18 O ATOM 1904 CB LEU B 536 -12.955 -24.039 -3.433 1.00 11.96 C ATOM 1905 CG LEU B 536 -12.724 -25.189 -4.384 1.00 13.64 C ATOM 1906 CD1 LEU B 536 -13.697 -24.997 -5.565 1.00 17.69 C ATOM 1907 CD2 LEU B 536 -11.323 -25.314 -4.884 1.00 18.97 C ATOM 1908 H LEU B 536 -12.700 -25.828 -1.586 1.00 0.00 H ATOM 1909 N SER B 537 -11.752 -21.517 -1.932 1.00 10.79 N ATOM 1910 CA SER B 537 -12.118 -20.196 -1.451 1.00 11.92 C ATOM 1911 C SER B 537 -11.916 -19.244 -2.629 1.00 11.12 C ATOM 1912 O SER B 537 -11.737 -19.673 -3.761 1.00 14.05 O ATOM 1913 CB SER B 537 -11.377 -19.846 -0.158 1.00 12.78 C ATOM 1914 OG SER B 537 -11.900 -18.613 0.325 1.00 16.22 O ATOM 1915 HG SER B 537 -11.435 -18.365 1.163 1.00 0.00 H ATOM 1916 H SER B 537 -10.968 -21.603 -2.610 1.00 0.00 H ATOM 1917 N ARG B 538 -11.953 -17.944 -2.343 1.00 13.02 N ATOM 1918 CA ARG B 538 -11.919 -16.931 -3.390 1.00 13.16 C ATOM 1919 C ARG B 538 -10.715 -16.019 -3.226 1.00 13.74 C ATOM 1920 O ARG B 538 -10.278 -15.724 -2.108 1.00 12.56 O ATOM 1921 CB ARG B 538 -13.201 -16.090 -3.395 1.00 14.62 C ATOM 1922 CG ARG B 538 -14.446 -16.947 -3.357 1.00 13.95 C ATOM 1923 CD ARG B 538 -15.717 -16.141 -3.251 1.00 34.41 C ATOM 1924 NE ARG B 538 -15.925 -15.332 -4.443 1.00 39.62 N ATOM 1925 CZ ARG B 538 -17.114 -14.999 -4.925 1.00 41.32 C ATOM 1926 NH1 ARG B 538 -18.216 -15.409 -4.311 1.00 48.78 N ATOM 1927 NH2 ARG B 538 -17.199 -14.253 -6.014 1.00 48.26 N ATOM 1928 HE ARG B 538 -15.084 -14.992 -4.951 1.00 0.00 H ATOM 1929 HH12 ARG B 538 -19.149 -15.148 -4.689 1.00 0.00 H ATOM 1930 HH11 ARG B 538 -18.147 -15.991 -3.452 1.00 0.00 H ATOM 1931 HH22 ARG B 538 -18.131 -13.991 -6.393 1.00 0.00 H ATOM 1932 HH21 ARG B 538 -16.334 -13.929 -6.491 1.00 0.00 H ATOM 1933 H ARG B 538 -12.007 -17.644 -1.349 1.00 0.00 H ATOM 1934 N LEU B 539 -10.175 -15.593 -4.357 1.00 11.37 N ATOM 1935 CA LEU B 539 -9.070 -14.647 -4.321 1.00 10.86 C ATOM 1936 C LEU B 539 -9.608 -13.234 -4.269 1.00 10.52 C ATOM 1937 O LEU B 539 -10.588 -12.931 -4.945 1.00 10.70 O ATOM 1938 CB LEU B 539 -8.224 -14.746 -5.587 1.00 11.01 C ATOM 1939 CG LEU B 539 -7.398 -16.004 -5.767 1.00 11.87 C ATOM 1940 CD1 LEU B 539 -6.663 -15.966 -7.121 1.00 14.37 C ATOM 1941 CD2 LEU B 539 -6.410 -16.173 -4.627 1.00 13.87 C ATOM 1942 H LEU B 539 -10.540 -15.934 -5.269 1.00 0.00 H ATOM 1943 N PRO B 540 -8.934 -12.352 -3.535 1.00 10.45 N ATOM 1944 CA PRO B 540 -9.154 -10.909 -3.705 1.00 10.44 C ATOM 1945 C PRO B 540 -8.558 -10.420 -5.016 1.00 10.04 C ATOM 1946 O PRO B 540 -7.876 -11.143 -5.756 1.00 10.85 O ATOM 1947 CB PRO B 540 -8.422 -10.286 -2.509 1.00 11.65 C ATOM 1948 CG PRO B 540 -7.208 -11.255 -2.337 1.00 10.98 C ATOM 1949 CD PRO B 540 -7.748 -12.654 -2.703 1.00 10.79 C ATOM 1950 N PHE B 541 -8.822 -9.153 -5.299 1.00 11.14 N ATOM 1951 CA PHE B 541 -8.283 -8.514 -6.487 1.00 10.54 C ATOM 1952 C PHE B 541 -6.843 -8.050 -6.259 1.00 12.97 C ATOM 1953 O PHE B 541 -6.401 -7.823 -5.128 1.00 13.43 O ATOM 1954 CB PHE B 541 -9.142 -7.317 -6.892 1.00 12.02 C ATOM 1955 CG PHE B 541 -10.515 -7.692 -7.330 1.00 11.09 C ATOM 1956 CD1 PHE B 541 -10.722 -8.182 -8.613 1.00 12.20 C ATOM 1957 CD2 PHE B 541 -11.606 -7.558 -6.493 1.00 12.71 C ATOM 1958 CE1 PHE B 541 -11.986 -8.535 -9.038 1.00 14.39 C ATOM 1959 CE2 PHE B 541 -12.883 -7.923 -6.915 1.00 16.12 C ATOM 1960 CZ PHE B 541 -13.063 -8.417 -8.193 1.00 14.38 C ATOM 1961 H PHE B 541 -9.428 -8.604 -4.657 1.00 0.00 H ATOM 1962 N GLY B 542 -6.118 -7.875 -7.368 1.00 11.14 N ATOM 1963 CA GLY B 542 -4.788 -7.314 -7.311 1.00 11.53 C ATOM 1964 C GLY B 542 -4.774 -5.803 -7.451 1.00 11.42 C ATOM 1965 O GLY B 542 -5.576 -5.102 -6.826 1.00 13.54 O ATOM 1966 H GLY B 542 -6.518 -8.148 -8.288 1.00 0.00 H ATOM 1967 N MET B 543 -3.846 -5.291 -8.262 1.00 13.13 N ATOM 1968 CA MET B 543 -3.816 -3.872 -8.583 1.00 11.84 C ATOM 1969 C MET B 543 -4.721 -3.580 -9.777 1.00 13.79 C ATOM 1970 O MET B 543 -4.778 -4.355 -10.739 1.00 14.96 O ATOM 1971 CB MET B 543 -2.390 -3.439 -8.940 1.00 14.05 C ATOM 1972 CG MET B 543 -1.338 -3.671 -7.872 1.00 14.06 C ATOM 1973 SD MET B 543 -1.675 -2.888 -6.300 1.00 16.04 S ATOM 1974 CE MET B 543 -1.541 -1.159 -6.717 1.00 19.98 C ATOM 1975 H MET B 543 -3.128 -5.920 -8.674 1.00 0.00 H ATOM 1976 N ALA B 544 -5.417 -2.449 -9.723 1.00 13.41 N ATOM 1977 CA ALA B 544 -6.189 -1.956 -10.852 1.00 16.61 C ATOM 1978 C ALA B 544 -5.335 -0.982 -11.655 1.00 17.99 C ATOM 1979 O ALA B 544 -4.658 -0.139 -11.066 1.00 16.87 O ATOM 1980 CB ALA B 544 -7.431 -1.211 -10.362 1.00 17.48 C ATOM 1981 H ALA B 544 -5.409 -1.897 -8.842 1.00 0.00 H ATOM 1982 N PRO B 545 -5.337 -1.056 -12.985 1.00 16.87 N ATOM 1983 CA PRO B 545 -4.597 -0.054 -13.774 1.00 18.24 C ATOM 1984 C PRO B 545 -5.286 1.298 -13.711 1.00 18.14 C ATOM 1985 O PRO B 545 -6.459 1.403 -13.365 1.00 19.56 O ATOM 1986 CB PRO B 545 -4.640 -0.614 -15.197 1.00 23.20 C ATOM 1987 CG PRO B 545 -5.918 -1.449 -15.228 1.00 30.46 C ATOM 1988 CD PRO B 545 -6.045 -2.035 -13.831 1.00 22.57 C ATOM 1989 N GLY B 546 -4.537 2.356 -14.044 1.00 18.91 N ATOM 1990 CA GLY B 546 -5.082 3.705 -14.011 1.00 19.62 C ATOM 1991 C GLY B 546 -4.855 4.442 -12.699 1.00 20.63 C ATOM 1992 O GLY B 546 -4.191 3.933 -11.791 1.00 21.61 O ATOM 1993 H GLY B 546 -3.548 2.212 -14.331 1.00 0.00 H ATOM 1994 N PRO B 547 -5.369 5.676 -12.579 1.00 27.83 N ATOM 1995 CA PRO B 547 -5.089 6.473 -11.373 1.00 35.26 C ATOM 1996 C PRO B 547 -5.949 6.135 -10.164 1.00 41.86 C ATOM 1997 O PRO B 547 -5.788 6.774 -9.119 1.00 43.38 O ATOM 1998 CB PRO B 547 -5.320 7.924 -11.830 1.00 38.36 C ATOM 1999 CG PRO B 547 -6.209 7.827 -13.011 1.00 40.98 C ATOM 2000 CD PRO B 547 -6.010 6.468 -13.646 1.00 34.20 C ATOM 2001 N GLY B 548 -6.831 5.147 -10.259 1.00 42.37 N ATOM 2002 CA GLY B 548 -7.605 4.714 -9.119 1.00 48.17 C ATOM 2003 C GLY B 548 -9.078 4.666 -9.453 1.00 51.91 C ATOM 2004 O GLY B 548 -9.499 5.090 -10.533 1.00 51.04 O ATOM 2005 H GLY B 548 -6.968 4.674 -11.175 1.00 0.00 H ATOM 2006 N PRO B 549 -9.903 4.149 -8.530 1.00 43.42 N ATOM 2007 CA PRO B 549 -9.543 3.675 -7.182 1.00 38.68 C ATOM 2008 C PRO B 549 -8.989 2.255 -7.161 1.00 23.14 C ATOM 2009 O PRO B 549 -9.317 1.473 -8.052 1.00 21.95 O ATOM 2010 CB PRO B 549 -10.888 3.695 -6.445 1.00 42.24 C ATOM 2011 CG PRO B 549 -11.882 3.285 -7.543 1.00 47.77 C ATOM 2012 CD PRO B 549 -11.337 3.945 -8.826 1.00 50.73 C ATOM 2013 N GLN B 550 -8.145 1.922 -6.153 1.00 18.18 N ATOM 2014 CA GLN B 550 -7.761 0.520 -5.996 1.00 14.85 C ATOM 2015 C GLN B 550 -8.847 -0.234 -5.230 1.00 15.11 C ATOM 2016 O GLN B 550 -9.610 0.365 -4.474 1.00 16.71 O ATOM 2017 CB GLN B 550 -6.456 0.387 -5.223 1.00 15.83 C ATOM 2018 CG GLN B 550 -5.275 0.945 -5.980 1.00 18.18 C ATOM 2019 CD GLN B 550 -5.064 0.249 -7.299 1.00 17.93 C ATOM 2020 OE1 GLN B 550 -5.113 -0.983 -7.371 1.00 16.80 O ATOM 2021 NE2 GLN B 550 -4.812 1.026 -8.351 1.00 19.48 N ATOM 2022 HE22 GLN B 550 -4.781 2.059 -8.239 1.00 0.00 H ATOM 2023 HE21 GLN B 550 -4.646 0.599 -9.285 1.00 0.00 H ATOM 2024 H GLN B 550 -7.779 2.649 -5.505 1.00 0.00 H ATOM 2025 N PRO B 551 -8.926 -1.553 -5.400 1.00 14.17 N ATOM 2026 CA PRO B 551 -9.936 -2.313 -4.653 1.00 11.93 C ATOM 2027 C PRO B 551 -9.578 -2.356 -3.177 1.00 14.28 C ATOM 2028 O PRO B 551 -8.403 -2.373 -2.799 1.00 14.56 O ATOM 2029 CB PRO B 551 -9.852 -3.721 -5.263 1.00 12.74 C ATOM 2030 CG PRO B 551 -8.431 -3.829 -5.777 1.00 12.87 C ATOM 2031 CD PRO B 551 -8.099 -2.416 -6.257 1.00 12.86 C ATOM 2032 N GLY B 552 -10.605 -2.397 -2.341 1.00 12.93 N ATOM 2033 CA GLY B 552 -10.413 -2.617 -0.924 1.00 12.98 C ATOM 2034 C GLY B 552 -9.844 -3.996 -0.666 1.00 12.37 C ATOM 2035 O GLY B 552 -10.063 -4.935 -1.444 1.00 12.47 O ATOM 2036 H GLY B 552 -11.569 -2.268 -2.711 1.00 0.00 H ATOM 2037 N PRO B 553 -9.139 -4.162 0.464 1.00 11.85 N ATOM 2038 CA PRO B 553 -8.468 -5.446 0.699 1.00 11.74 C ATOM 2039 C PRO B 553 -9.399 -6.623 0.820 1.00 12.80 C ATOM 2040 O PRO B 553 -8.966 -7.756 0.592 1.00 12.08 O ATOM 2041 CB PRO B 553 -7.696 -5.224 2.008 1.00 12.97 C ATOM 2042 CG PRO B 553 -7.458 -3.748 2.048 1.00 14.25 C ATOM 2043 CD PRO B 553 -8.701 -3.125 1.416 1.00 13.86 C ATOM 2044 N LEU B 554 -10.643 -6.411 1.226 1.00 11.95 N ATOM 2045 CA LEU B 554 -11.571 -7.509 1.413 1.00 12.12 C ATOM 2046 C LEU B 554 -12.337 -7.896 0.160 1.00 11.81 C ATOM 2047 O LEU B 554 -12.964 -8.963 0.157 1.00 12.76 O ATOM 2048 CB LEU B 554 -12.609 -7.207 2.495 1.00 12.77 C ATOM 2049 CG LEU B 554 -11.999 -6.792 3.833 1.00 13.37 C ATOM 2050 CD1 LEU B 554 -13.063 -6.175 4.728 1.00 18.56 C ATOM 2051 CD2 LEU B 554 -11.396 -7.983 4.552 1.00 17.63 C ATOM 2052 H LEU B 554 -10.959 -5.438 1.414 1.00 0.00 H ATOM 2053 N ARG B 555 -12.344 -7.062 -0.882 1.00 11.48 N ATOM 2054 CA ARG B 555 -13.152 -7.371 -2.058 1.00 11.37 C ATOM 2055 C ARG B 555 -12.801 -8.754 -2.596 1.00 11.23 C ATOM 2056 O ARG B 555 -11.630 -9.100 -2.733 1.00 11.95 O ATOM 2057 CB ARG B 555 -12.873 -6.358 -3.166 1.00 14.83 C ATOM 2058 CG ARG B 555 -13.426 -4.969 -2.944 1.00 22.94 C ATOM 2059 CD ARG B 555 -14.811 -4.779 -3.538 1.00 18.10 C ATOM 2060 NE ARG B 555 -14.937 -5.156 -4.949 1.00 15.85 N ATOM 2061 CZ ARG B 555 -14.550 -4.419 -5.982 1.00 22.79 C ATOM 2062 NH1 ARG B 555 -13.961 -3.237 -5.810 1.00 23.51 N ATOM 2063 NH2 ARG B 555 -14.754 -4.872 -7.206 1.00 20.56 N ATOM 2064 HE ARG B 555 -15.366 -6.080 -5.158 1.00 0.00 H ATOM 2065 HH12 ARG B 555 -13.667 -2.678 -6.636 1.00 0.00 H ATOM 2066 HH11 ARG B 555 -13.795 -2.873 -4.850 1.00 0.00 H ATOM 2067 HH22 ARG B 555 -14.456 -4.306 -8.026 1.00 0.00 H ATOM 2068 HH21 ARG B 555 -15.212 -5.795 -7.349 1.00 0.00 H ATOM 2069 H ARG B 555 -11.774 -6.192 -0.856 1.00 0.00 H ATOM 2070 N GLU B 556 -13.813 -9.521 -2.984 1.00 11.69 N ATOM 2071 CA GLU B 556 -13.618 -10.865 -3.510 1.00 12.75 C ATOM 2072 C GLU B 556 -13.892 -10.898 -5.005 1.00 11.44 C ATOM 2073 O GLU B 556 -14.877 -10.329 -5.474 1.00 13.14 O ATOM 2074 CB GLU B 556 -14.558 -11.864 -2.827 1.00 13.36 C ATOM 2075 CG GLU B 556 -14.291 -12.021 -1.362 1.00 13.46 C ATOM 2076 CD GLU B 556 -15.334 -12.830 -0.625 1.00 18.45 C ATOM 2077 OE1 GLU B 556 -15.838 -13.806 -1.197 1.00 20.33 O ATOM 2078 OE2 GLU B 556 -15.613 -12.490 0.550 1.00 19.14 O ATOM 2079 H GLU B 556 -14.781 -9.148 -2.910 1.00 0.00 H ATOM 2080 N SER B 557 -13.017 -11.570 -5.744 1.00 12.30 N ATOM 2081 CA SER B 557 -13.206 -11.827 -7.162 1.00 11.68 C ATOM 2082 C SER B 557 -13.958 -13.137 -7.361 1.00 13.33 C ATOM 2083 O SER B 557 -14.234 -13.876 -6.409 1.00 13.76 O ATOM 2084 CB SER B 557 -11.846 -11.941 -7.837 1.00 11.76 C ATOM 2085 OG SER B 557 -11.237 -13.224 -7.610 1.00 12.12 O ATOM 2086 HG SER B 557 -11.112 -13.361 -6.638 1.00 0.00 H ATOM 2087 H SER B 557 -12.155 -11.930 -5.286 1.00 0.00 H ATOM 2088 N ILE B 558 -14.261 -13.439 -8.624 1.00 13.89 N ATOM 2089 CA ILE B 558 -14.835 -14.734 -8.986 1.00 13.57 C ATOM 2090 C ILE B 558 -13.788 -15.821 -9.155 1.00 14.83 C ATOM 2091 O ILE B 558 -14.155 -16.972 -9.416 1.00 16.05 O ATOM 2092 CB ILE B 558 -15.661 -14.652 -10.284 1.00 15.99 C ATOM 2093 CG1 ILE B 558 -14.752 -14.333 -11.474 1.00 18.42 C ATOM 2094 CG2 ILE B 558 -16.788 -13.614 -10.131 1.00 32.02 C ATOM 2095 CD1 ILE B 558 -15.529 -14.335 -12.828 1.00 40.14 C ATOM 2096 H ILE B 558 -14.085 -12.736 -9.370 1.00 0.00 H ATOM 2097 N VAL B 559 -12.504 -15.499 -9.021 1.00 12.37 N ATOM 2098 CA VAL B 559 -11.446 -16.486 -9.204 1.00 12.07 C ATOM 2099 C VAL B 559 -11.257 -17.235 -7.894 1.00 12.69 C ATOM 2100 O VAL B 559 -11.192 -16.614 -6.826 1.00 11.99 O ATOM 2101 CB VAL B 559 -10.133 -15.811 -9.639 1.00 12.03 C ATOM 2102 CG1 VAL B 559 -9.039 -16.871 -9.839 1.00 11.78 C ATOM 2103 CG2 VAL B 559 -10.335 -14.981 -10.894 1.00 12.31 C ATOM 2104 H VAL B 559 -12.249 -14.520 -8.780 1.00 0.00 H ATOM 2105 N CYS B 560 -11.220 -18.555 -7.953 1.00 11.71 N ATOM 2106 CA CYS B 560 -11.080 -19.385 -6.768 1.00 11.82 C ATOM 2107 C CYS B 560 -9.655 -19.917 -6.608 1.00 11.32 C ATOM 2108 O CYS B 560 -8.825 -19.869 -7.525 1.00 11.27 O ATOM 2109 CB CYS B 560 -12.055 -20.553 -6.835 1.00 11.64 C ATOM 2110 SG CYS B 560 -13.802 -19.990 -6.891 1.00 16.27 S ATOM 2111 H CYS B 560 -11.294 -19.017 -8.882 1.00 0.00 H ATOM 2112 N TYR B 561 -9.390 -20.460 -5.418 1.00 11.21 N ATOM 2113 CA TYR B 561 -8.118 -21.113 -5.129 1.00 11.01 C ATOM 2114 C TYR B 561 -8.324 -22.240 -4.124 1.00 10.97 C ATOM 2115 O TYR B 561 -9.344 -22.301 -3.435 1.00 11.51 O ATOM 2116 CB TYR B 561 -7.072 -20.119 -4.566 1.00 10.95 C ATOM 2117 CG TYR B 561 -7.252 -19.812 -3.077 1.00 11.01 C ATOM 2118 CD1 TYR B 561 -6.571 -20.558 -2.115 1.00 12.15 C ATOM 2119 CD2 TYR B 561 -8.084 -18.785 -2.648 1.00 11.22 C ATOM 2120 CE1 TYR B 561 -6.733 -20.306 -0.770 1.00 11.01 C ATOM 2121 CE2 TYR B 561 -8.252 -18.515 -1.312 1.00 12.73 C ATOM 2122 CZ TYR B 561 -7.587 -19.272 -0.384 1.00 11.24 C ATOM 2123 OH TYR B 561 -7.785 -18.994 0.950 1.00 12.84 O ATOM 2124 HH TYR B 561 -8.744 -19.105 1.170 1.00 0.00 H ATOM 2125 H TYR B 561 -10.114 -20.416 -4.673 1.00 0.00 H ATOM 2126 N PHE B 562 -7.317 -23.108 -4.024 1.00 10.84 N ATOM 2127 CA PHE B 562 -7.167 -23.958 -2.848 1.00 10.82 C ATOM 2128 C PHE B 562 -5.683 -24.126 -2.571 1.00 10.95 C ATOM 2129 O PHE B 562 -4.829 -23.877 -3.424 1.00 10.69 O ATOM 2130 CB PHE B 562 -7.916 -25.309 -2.974 1.00 10.93 C ATOM 2131 CG PHE B 562 -7.374 -26.243 -4.040 1.00 10.91 C ATOM 2132 CD1 PHE B 562 -6.473 -27.248 -3.703 1.00 10.87 C ATOM 2133 CD2 PHE B 562 -7.800 -26.141 -5.354 1.00 11.44 C ATOM 2134 CE1 PHE B 562 -5.977 -28.101 -4.675 1.00 13.30 C ATOM 2135 CE2 PHE B 562 -7.297 -26.998 -6.333 1.00 11.04 C ATOM 2136 CZ PHE B 562 -6.394 -27.976 -5.987 1.00 11.02 C ATOM 2137 H PHE B 562 -6.626 -23.180 -4.798 1.00 0.00 H ATOM 2138 N MET B 563 -5.375 -24.520 -1.333 1.00 10.67 N ATOM 2139 CA MET B 563 -4.011 -24.767 -0.900 1.00 10.97 C ATOM 2140 C MET B 563 -3.824 -26.246 -0.601 1.00 10.61 C ATOM 2141 O MET B 563 -4.703 -26.888 -0.003 1.00 11.24 O ATOM 2142 CB MET B 563 -3.730 -23.941 0.361 1.00 13.23 C ATOM 2143 CG MET B 563 -2.399 -24.204 1.007 1.00 14.42 C ATOM 2144 SD MET B 563 -1.100 -23.225 0.250 1.00 14.11 S ATOM 2145 CE MET B 563 -1.449 -21.613 0.918 1.00 10.61 C ATOM 2146 H MET B 563 -6.146 -24.656 -0.648 1.00 0.00 H ATOM 2147 N VAL B 564 -2.670 -26.772 -1.031 1.00 10.55 N ATOM 2148 CA VAL B 564 -2.183 -28.104 -0.698 1.00 10.62 C ATOM 2149 C VAL B 564 -1.063 -27.905 0.314 1.00 10.86 C ATOM 2150 O VAL B 564 -0.059 -27.236 0.001 1.00 12.54 O ATOM 2151 CB VAL B 564 -1.629 -28.829 -1.932 1.00 11.33 C ATOM 2152 CG1 VAL B 564 -1.245 -30.284 -1.553 1.00 13.00 C ATOM 2153 CG2 VAL B 564 -2.612 -28.801 -3.087 1.00 12.98 C ATOM 2154 H VAL B 564 -2.076 -26.184 -1.650 1.00 0.00 H ATOM 2155 N PHE B 565 -1.207 -28.498 1.508 1.00 10.69 N ATOM 2156 CA PHE B 565 -0.160 -28.478 2.514 1.00 10.72 C ATOM 2157 C PHE B 565 0.701 -29.727 2.375 1.00 10.80 C ATOM 2158 O PHE B 565 0.184 -30.837 2.193 1.00 10.93 O ATOM 2159 CB PHE B 565 -0.728 -28.432 3.942 1.00 10.87 C ATOM 2160 CG PHE B 565 -1.553 -27.215 4.239 1.00 10.88 C ATOM 2161 CD1 PHE B 565 -0.966 -26.005 4.574 1.00 10.85 C ATOM 2162 CD2 PHE B 565 -2.924 -27.269 4.154 1.00 11.17 C ATOM 2163 CE1 PHE B 565 -1.748 -24.883 4.803 1.00 11.92 C ATOM 2164 CE2 PHE B 565 -3.704 -26.151 4.389 1.00 11.04 C ATOM 2165 CZ PHE B 565 -3.125 -24.965 4.736 1.00 12.97 C ATOM 2166 H PHE B 565 -2.099 -28.989 1.721 1.00 0.00 H ATOM 2167 N LEU B 566 2.019 -29.545 2.480 1.00 10.77 N ATOM 2168 CA LEU B 566 2.963 -30.644 2.298 1.00 10.88 C ATOM 2169 C LEU B 566 4.082 -30.597 3.332 1.00 10.96 C ATOM 2170 O LEU B 566 4.477 -29.529 3.809 1.00 11.20 O ATOM 2171 CB LEU B 566 3.583 -30.579 0.895 1.00 10.84 C ATOM 2172 CG LEU B 566 2.625 -30.768 -0.280 1.00 12.51 C ATOM 2173 CD1 LEU B 566 3.316 -30.428 -1.591 1.00 13.92 C ATOM 2174 CD2 LEU B 566 2.113 -32.198 -0.310 1.00 13.55 C ATOM 2175 H LEU B 566 2.383 -28.595 2.697 1.00 0.00 H ATOM 2176 N GLN B 567 4.669 -31.765 3.589 1.00 11.14 N ATOM 2177 CA GLN B 567 5.753 -31.867 4.559 1.00 11.27 C ATOM 2178 C GLN B 567 7.132 -31.616 3.962 1.00 12.17 C ATOM 2179 O GLN B 567 8.083 -31.383 4.727 1.00 11.51 O ATOM 2180 CB GLN B 567 5.728 -33.236 5.250 1.00 11.54 C ATOM 2181 CG GLN B 567 4.535 -33.363 6.193 1.00 11.63 C ATOM 2182 CD GLN B 567 4.440 -34.717 6.872 1.00 13.75 C ATOM 2183 OE1 GLN B 567 5.419 -35.446 6.956 1.00 13.91 O ATOM 2184 NE2 GLN B 567 3.254 -35.045 7.401 1.00 17.85 N ATOM 2185 HE22 GLN B 567 2.446 -34.397 7.308 1.00 0.00 H ATOM 2186 HE21 GLN B 567 3.141 -35.948 7.905 1.00 0.00 H ATOM 2187 H GLN B 567 4.349 -32.619 3.089 1.00 0.00 H ATOM 2188 N THR B 568 7.281 -31.654 2.640 1.00 12.68 N ATOM 2189 CA THR B 568 8.579 -31.375 2.041 1.00 11.27 C ATOM 2190 C THR B 568 8.449 -30.397 0.880 1.00 11.30 C ATOM 2191 O THR B 568 7.547 -30.504 0.046 1.00 11.64 O ATOM 2192 CB THR B 568 9.312 -32.635 1.529 1.00 11.53 C ATOM 2193 OG1 THR B 568 8.618 -33.155 0.388 1.00 12.31 O ATOM 2194 CG2 THR B 568 9.407 -33.692 2.600 1.00 11.88 C ATOM 2195 HG1 THR B 568 9.086 -33.963 0.058 1.00 0.00 H ATOM 2196 H THR B 568 6.468 -31.884 2.033 1.00 0.00 H ATOM 2197 N HIS B 569 9.381 -29.451 0.818 1.00 11.12 N ATOM 2198 CA HIS B 569 9.466 -28.543 -0.319 1.00 11.06 C ATOM 2199 C HIS B 569 9.839 -29.283 -1.601 1.00 11.23 C ATOM 2200 O HIS B 569 9.401 -28.900 -2.693 1.00 12.39 O ATOM 2201 CB HIS B 569 10.492 -27.454 -0.004 1.00 13.59 C ATOM 2202 CG HIS B 569 10.467 -26.305 -0.949 1.00 16.22 C ATOM 2203 ND1 HIS B 569 11.040 -26.359 -2.208 1.00 15.08 N ATOM 2204 CD2 HIS B 569 9.932 -25.068 -0.838 1.00 23.48 C ATOM 2205 CE1 HIS B 569 10.843 -25.213 -2.824 1.00 17.19 C ATOM 2206 NE2 HIS B 569 10.179 -24.406 -2.010 1.00 18.48 N ATOM 2207 H HIS B 569 10.064 -29.357 1.597 1.00 0.00 H ATOM 2208 N ILE B 570 10.661 -30.330 -1.492 1.00 11.68 N ATOM 2209 CA ILE B 570 11.111 -31.037 -2.680 1.00 12.89 C ATOM 2210 C ILE B 570 9.922 -31.674 -3.399 1.00 14.10 C ATOM 2211 O ILE B 570 9.831 -31.641 -4.631 1.00 13.85 O ATOM 2212 CB ILE B 570 12.242 -32.026 -2.321 1.00 16.29 C ATOM 2213 CG1 ILE B 570 12.970 -32.471 -3.593 1.00 19.14 C ATOM 2214 CG2 ILE B 570 11.737 -33.176 -1.510 1.00 15.88 C ATOM 2215 CD1 ILE B 570 14.179 -31.597 -3.941 1.00 38.13 C ATOM 2216 H ILE B 570 10.981 -30.641 -0.553 1.00 0.00 H ATOM 2217 N PHE B 571 8.960 -32.202 -2.639 1.00 11.65 N ATOM 2218 CA PHE B 571 7.769 -32.759 -3.277 1.00 11.99 C ATOM 2219 C PHE B 571 6.805 -31.667 -3.740 1.00 13.45 C ATOM 2220 O PHE B 571 6.119 -31.844 -4.758 1.00 12.68 O ATOM 2221 CB PHE B 571 7.089 -33.787 -2.378 1.00 12.00 C ATOM 2222 CG PHE B 571 5.916 -34.454 -3.033 1.00 11.76 C ATOM 2223 CD1 PHE B 571 6.089 -35.283 -4.131 1.00 14.12 C ATOM 2224 CD2 PHE B 571 4.640 -34.226 -2.556 1.00 17.53 C ATOM 2225 CE1 PHE B 571 4.999 -35.881 -4.737 1.00 16.10 C ATOM 2226 CE2 PHE B 571 3.545 -34.808 -3.158 1.00 17.51 C ATOM 2227 CZ PHE B 571 3.728 -35.637 -4.259 1.00 15.06 C ATOM 2228 H PHE B 571 9.057 -32.217 -1.604 1.00 0.00 H ATOM 2229 N ALA B 572 6.726 -30.545 -3.020 1.00 11.57 N ATOM 2230 CA ALA B 572 5.967 -29.411 -3.528 1.00 12.02 C ATOM 2231 C ALA B 572 6.385 -29.051 -4.954 1.00 11.41 C ATOM 2232 O ALA B 572 5.546 -28.810 -5.820 1.00 11.68 O ATOM 2233 CB ALA B 572 6.141 -28.204 -2.600 1.00 12.31 C ATOM 2234 H ALA B 572 7.205 -30.481 -2.099 1.00 0.00 H ATOM 2235 N GLU B 573 7.708 -29.016 -5.211 1.00 11.60 N ATOM 2236 CA GLU B 573 8.193 -28.686 -6.549 1.00 14.39 C ATOM 2237 C GLU B 573 7.727 -29.712 -7.569 1.00 14.57 C ATOM 2238 O GLU B 573 7.316 -29.352 -8.682 1.00 12.56 O ATOM 2239 CB GLU B 573 9.719 -28.595 -6.521 1.00 13.76 C ATOM 2240 CG GLU B 573 10.336 -27.832 -7.676 1.00 14.78 C ATOM 2241 CD GLU B 573 10.325 -26.318 -7.460 1.00 20.69 C ATOM 2242 OE1 GLU B 573 10.791 -25.844 -6.403 1.00 22.81 O ATOM 2243 OE2 GLU B 573 9.854 -25.600 -8.360 1.00 22.98 O ATOM 2244 H GLU B 573 8.388 -29.225 -4.452 1.00 0.00 H ATOM 2245 N VAL B 574 7.771 -31.001 -7.208 1.00 13.76 N ATOM 2246 CA VAL B 574 7.348 -32.074 -8.097 1.00 13.29 C ATOM 2247 C VAL B 574 5.861 -31.969 -8.374 1.00 12.51 C ATOM 2248 O VAL B 574 5.416 -32.150 -9.509 1.00 13.85 O ATOM 2249 CB VAL B 574 7.718 -33.439 -7.486 1.00 17.59 C ATOM 2250 CG1 VAL B 574 7.027 -34.589 -8.207 1.00 18.35 C ATOM 2251 CG2 VAL B 574 9.212 -33.608 -7.527 1.00 19.48 C ATOM 2252 H VAL B 574 8.120 -31.244 -6.259 1.00 0.00 H ATOM 2253 N LEU B 575 5.072 -31.651 -7.347 1.00 12.03 N ATOM 2254 CA LEU B 575 3.629 -31.581 -7.524 1.00 12.10 C ATOM 2255 C LEU B 575 3.246 -30.395 -8.388 1.00 12.16 C ATOM 2256 O LEU B 575 2.349 -30.499 -9.227 1.00 13.11 O ATOM 2257 CB LEU B 575 2.934 -31.488 -6.169 1.00 14.04 C ATOM 2258 CG LEU B 575 1.403 -31.355 -6.203 1.00 15.80 C ATOM 2259 CD1 LEU B 575 0.767 -32.491 -6.978 1.00 15.20 C ATOM 2260 CD2 LEU B 575 0.820 -31.234 -4.791 1.00 16.13 C ATOM 2261 H LEU B 575 5.490 -31.452 -6.416 1.00 0.00 H ATOM 2262 N LYS B 576 3.905 -29.254 -8.182 1.00 12.16 N ATOM 2263 CA LYS B 576 3.694 -28.106 -9.047 1.00 12.52 C ATOM 2264 C LYS B 576 3.938 -28.479 -10.504 1.00 12.62 C ATOM 2265 O LYS B 576 3.129 -28.149 -11.377 1.00 13.91 O ATOM 2266 CB LYS B 576 4.618 -26.971 -8.607 1.00 14.85 C ATOM 2267 CG LYS B 576 4.614 -25.739 -9.496 1.00 15.69 C ATOM 2268 CD LYS B 576 5.817 -25.721 -10.423 1.00 19.98 C ATOM 2269 CE LYS B 576 7.166 -25.770 -9.710 1.00 30.85 C ATOM 2270 NZ LYS B 576 8.299 -25.534 -10.681 1.00 22.60 N ATOM 2271 HZ1 LYS B 576 8.282 -26.269 -11.416 1.00 0.00 H ATOM 2272 HZ2 LYS B 576 8.187 -24.599 -11.122 1.00 0.00 H ATOM 2273 HZ3 LYS B 576 9.205 -25.572 -10.171 1.00 0.00 H ATOM 2274 H LYS B 576 4.578 -29.185 -7.392 1.00 0.00 H ATOM 2275 N ASP B 577 5.051 -29.152 -10.788 1.00 14.31 N ATOM 2276 CA ASP B 577 5.345 -29.524 -12.167 1.00 14.91 C ATOM 2277 C ASP B 577 4.280 -30.472 -12.701 1.00 13.99 C ATOM 2278 O ASP B 577 3.867 -30.367 -13.863 1.00 17.60 O ATOM 2279 CB ASP B 577 6.725 -30.189 -12.265 1.00 16.45 C ATOM 2280 CG ASP B 577 7.905 -29.205 -12.097 1.00 31.56 C ATOM 2281 OD1 ASP B 577 7.757 -27.997 -12.350 1.00 28.28 O ATOM 2282 OD2 ASP B 577 9.003 -29.667 -11.714 1.00 36.89 O ATOM 2283 H ASP B 577 5.710 -29.412 -10.027 1.00 0.00 H ATOM 2284 N ALA B 578 3.811 -31.402 -11.864 1.00 13.20 N ATOM 2285 CA ALA B 578 2.838 -32.389 -12.327 1.00 13.62 C ATOM 2286 C ALA B 578 1.496 -31.738 -12.645 1.00 13.72 C ATOM 2287 O ALA B 578 0.855 -32.064 -13.655 1.00 16.39 O ATOM 2288 CB ALA B 578 2.660 -33.499 -11.290 1.00 14.19 C ATOM 2289 H ALA B 578 4.140 -31.423 -10.878 1.00 0.00 H ATOM 2290 N ILE B 579 1.039 -30.835 -11.784 1.00 13.06 N ATOM 2291 CA ILE B 579 -0.214 -30.131 -12.040 1.00 12.01 C ATOM 2292 C ILE B 579 -0.135 -29.352 -13.339 1.00 12.30 C ATOM 2293 O ILE B 579 -1.061 -29.386 -14.158 1.00 13.42 O ATOM 2294 CB ILE B 579 -0.597 -29.234 -10.845 1.00 13.13 C ATOM 2295 CG1 ILE B 579 -1.051 -30.105 -9.670 1.00 14.48 C ATOM 2296 CG2 ILE B 579 -1.708 -28.286 -11.236 1.00 13.84 C ATOM 2297 CD1 ILE B 579 -1.237 -29.354 -8.345 1.00 13.35 C ATOM 2298 H ILE B 579 1.579 -30.628 -10.920 1.00 0.00 H ATOM 2299 N LYS B 580 0.954 -28.613 -13.552 1.00 12.21 N ATOM 2300 CA LYS B 580 1.105 -27.859 -14.789 1.00 13.42 C ATOM 2301 C LYS B 580 1.048 -28.783 -15.995 1.00 14.51 C ATOM 2302 O LYS B 580 0.365 -28.492 -16.987 1.00 13.65 O ATOM 2303 CB LYS B 580 2.441 -27.128 -14.794 1.00 15.14 C ATOM 2304 CG LYS B 580 2.522 -25.883 -13.931 1.00 18.25 C ATOM 2305 CD LYS B 580 3.956 -25.325 -14.017 1.00 21.21 C ATOM 2306 CE LYS B 580 4.188 -24.160 -13.091 1.00 22.55 C ATOM 2307 NZ LYS B 580 3.633 -22.896 -13.608 1.00 19.78 N ATOM 2308 HZ1 LYS B 580 4.079 -22.670 -14.520 1.00 0.00 H ATOM 2309 HZ2 LYS B 580 2.606 -22.997 -13.739 1.00 0.00 H ATOM 2310 HZ3 LYS B 580 3.823 -22.132 -12.929 1.00 0.00 H ATOM 2311 H LYS B 580 1.701 -28.575 -12.830 1.00 0.00 H ATOM 2312 N ASP B 581 1.779 -29.902 -15.930 1.00 13.96 N ATOM 2313 CA ASP B 581 1.808 -30.817 -17.058 1.00 15.14 C ATOM 2314 C ASP B 581 0.458 -31.472 -17.274 1.00 13.78 C ATOM 2315 O ASP B 581 0.083 -31.758 -18.415 1.00 14.86 O ATOM 2316 CB ASP B 581 2.872 -31.881 -16.832 1.00 14.27 C ATOM 2317 CG ASP B 581 4.275 -31.347 -17.028 1.00 20.75 C ATOM 2318 OD1 ASP B 581 4.417 -30.235 -17.598 1.00 22.50 O ATOM 2319 OD2 ASP B 581 5.227 -32.050 -16.610 1.00 24.15 O ATOM 2320 H ASP B 581 2.326 -30.117 -15.072 1.00 0.00 H ATOM 2321 N LEU B 582 -0.298 -31.696 -16.212 1.00 13.88 N ATOM 2322 CA LEU B 582 -1.592 -32.354 -16.352 1.00 13.57 C ATOM 2323 C LEU B 582 -2.602 -31.429 -17.007 1.00 13.56 C ATOM 2324 O LEU B 582 -3.318 -31.829 -17.938 1.00 14.51 O ATOM 2325 CB LEU B 582 -2.109 -32.793 -14.982 1.00 14.34 C ATOM 2326 CG LEU B 582 -3.370 -33.671 -15.046 1.00 14.22 C ATOM 2327 CD1 LEU B 582 -2.989 -35.053 -15.565 1.00 24.33 C ATOM 2328 CD2 LEU B 582 -4.062 -33.778 -13.701 1.00 21.47 C ATOM 2329 H LEU B 582 0.032 -31.401 -15.271 1.00 0.00 H ATOM 2330 N VAL B 583 -2.719 -30.200 -16.502 1.00 14.01 N ATOM 2331 CA VAL B 583 -3.818 -29.352 -16.938 1.00 13.72 C ATOM 2332 C VAL B 583 -3.604 -28.837 -18.349 1.00 14.21 C ATOM 2333 O VAL B 583 -4.580 -28.497 -19.029 1.00 14.36 O ATOM 2334 CB VAL B 583 -4.105 -28.196 -15.965 1.00 13.40 C ATOM 2335 CG1 VAL B 583 -4.433 -28.736 -14.598 1.00 13.85 C ATOM 2336 CG2 VAL B 583 -2.961 -27.212 -15.913 1.00 13.83 C ATOM 2337 H VAL B 583 -2.032 -29.851 -15.804 1.00 0.00 H ATOM 2338 N MET B 584 -2.356 -28.779 -18.823 1.00 14.73 N ATOM 2339 CA MET B 584 -2.106 -28.259 -20.161 1.00 16.05 C ATOM 2340 C MET B 584 -2.559 -29.223 -21.243 1.00 17.30 C ATOM 2341 O MET B 584 -2.552 -28.854 -22.423 1.00 17.76 O ATOM 2342 CB MET B 584 -0.632 -27.877 -20.344 1.00 18.24 C ATOM 2343 CG MET B 584 0.357 -29.017 -20.321 1.00 17.18 C ATOM 2344 SD MET B 584 2.008 -28.480 -20.866 1.00 25.67 S ATOM 2345 CE MET B 584 2.480 -27.362 -19.525 1.00 16.72 C ATOM 2346 H MET B 584 -1.562 -29.105 -18.236 1.00 0.00 H ATOM 2347 N THR B 585 -2.962 -30.438 -20.876 1.00 16.18 N ATOM 2348 CA THR B 585 -3.452 -31.409 -21.852 1.00 16.90 C ATOM 2349 C THR B 585 -4.947 -31.268 -22.103 1.00 18.40 C ATOM 2350 O THR B 585 -5.496 -31.983 -22.949 1.00 19.49 O ATOM 2351 CB THR B 585 -3.137 -32.850 -21.426 1.00 17.93 C ATOM 2352 OG1 THR B 585 -3.928 -33.181 -20.277 1.00 17.84 O ATOM 2353 CG2 THR B 585 -1.648 -33.029 -21.145 1.00 21.16 C ATOM 2354 HG1 THR B 585 -3.711 -32.559 -19.538 1.00 0.00 H ATOM 2355 H THR B 585 -2.927 -30.702 -19.871 1.00 0.00 H ATOM 2356 N LYS B 586 -5.612 -30.353 -21.419 1.00 15.70 N ATOM 2357 CA LYS B 586 -7.057 -30.236 -21.467 1.00 16.41 C ATOM 2358 C LYS B 586 -7.453 -28.877 -22.033 1.00 16.00 C ATOM 2359 O LYS B 586 -6.661 -27.930 -22.003 1.00 18.13 O ATOM 2360 CB LYS B 586 -7.628 -30.377 -20.049 1.00 15.81 C ATOM 2361 CG LYS B 586 -7.525 -31.775 -19.506 1.00 21.82 C ATOM 2362 CD LYS B 586 -8.542 -32.688 -20.193 1.00 18.45 C ATOM 2363 CE LYS B 586 -8.477 -34.090 -19.584 1.00 26.28 C ATOM 2364 NZ LYS B 586 -9.429 -35.035 -20.251 1.00 22.99 N ATOM 2365 HZ1 LYS B 586 -10.400 -34.679 -20.145 1.00 0.00 H ATOM 2366 HZ2 LYS B 586 -9.193 -35.107 -21.261 1.00 0.00 H ATOM 2367 HZ3 LYS B 586 -9.352 -35.973 -19.808 1.00 0.00 H ATOM 2368 H LYS B 586 -5.077 -29.690 -20.822 1.00 0.00 H ATOM 2369 N PRO B 587 -8.657 -28.750 -22.575 1.00 16.23 N ATOM 2370 CA PRO B 587 -9.107 -27.441 -23.061 1.00 18.41 C ATOM 2371 C PRO B 587 -9.528 -26.533 -21.907 1.00 16.79 C ATOM 2372 O PRO B 587 -9.665 -26.950 -20.753 1.00 20.36 O ATOM 2373 CB PRO B 587 -10.297 -27.768 -23.971 1.00 26.91 C ATOM 2374 CG PRO B 587 -10.813 -29.060 -23.469 1.00 27.53 C ATOM 2375 CD PRO B 587 -9.639 -29.815 -22.854 1.00 19.95 C ATOM 2376 N ALA B 588 -9.729 -25.268 -22.249 1.00 17.18 N ATOM 2377 CA ALA B 588 -10.202 -24.308 -21.268 1.00 17.60 C ATOM 2378 C ALA B 588 -11.539 -24.796 -20.719 1.00 18.15 C ATOM 2379 O ALA B 588 -12.325 -25.401 -21.448 1.00 19.59 O ATOM 2380 CB ALA B 588 -10.385 -22.943 -21.925 1.00 22.53 C ATOM 2381 H ALA B 588 -9.547 -24.961 -23.226 1.00 0.00 H ATOM 2382 N PRO B 589 -11.836 -24.533 -19.439 1.00 15.26 N ATOM 2383 CA PRO B 589 -11.008 -23.700 -18.550 1.00 14.04 C ATOM 2384 C PRO B 589 -9.905 -24.432 -17.791 1.00 15.22 C ATOM 2385 O PRO B 589 -9.093 -23.775 -17.126 1.00 14.46 O ATOM 2386 CB PRO B 589 -12.025 -23.149 -17.560 1.00 18.96 C ATOM 2387 CG PRO B 589 -13.030 -24.266 -17.438 1.00 19.94 C ATOM 2388 CD PRO B 589 -13.164 -24.797 -18.850 1.00 17.15 C ATOM 2389 N THR B 590 -9.863 -25.766 -17.896 1.00 14.61 N ATOM 2390 CA THR B 590 -8.914 -26.555 -17.121 1.00 12.96 C ATOM 2391 C THR B 590 -7.487 -26.071 -17.334 1.00 12.96 C ATOM 2392 O THR B 590 -6.699 -25.982 -16.382 1.00 13.54 O ATOM 2393 CB THR B 590 -9.028 -28.023 -17.551 1.00 15.80 C ATOM 2394 OG1 THR B 590 -10.382 -28.461 -17.379 1.00 16.38 O ATOM 2395 CG2 THR B 590 -8.091 -28.916 -16.755 1.00 14.90 C ATOM 2396 HG1 THR B 590 -10.638 -28.372 -16.427 1.00 0.00 H ATOM 2397 H THR B 590 -10.520 -26.248 -18.543 1.00 0.00 H ATOM 2398 N CYS B 591 -7.122 -25.776 -18.580 1.00 14.30 N ATOM 2399 CA CYS B 591 -5.756 -25.367 -18.881 1.00 14.15 C ATOM 2400 C CYS B 591 -5.395 -23.998 -18.322 1.00 15.78 C ATOM 2401 O CYS B 591 -4.208 -23.639 -18.339 1.00 15.72 O ATOM 2402 CB CYS B 591 -5.496 -25.434 -20.393 1.00 16.09 C ATOM 2403 SG CYS B 591 -6.584 -24.395 -21.366 1.00 16.60 S ATOM 2404 H CYS B 591 -7.820 -25.838 -19.348 1.00 0.00 H ATOM 2405 N ASN B 592 -6.366 -23.240 -17.827 1.00 13.24 N ATOM 2406 CA ASN B 592 -6.113 -21.933 -17.236 1.00 13.24 C ATOM 2407 C ASN B 592 -5.876 -22.010 -15.734 1.00 13.54 C ATOM 2408 O ASN B 592 -5.662 -20.969 -15.105 1.00 14.69 O ATOM 2409 CB ASN B 592 -7.249 -20.961 -17.580 1.00 14.52 C ATOM 2410 CG ASN B 592 -7.425 -20.797 -19.093 1.00 15.90 C ATOM 2411 OD1 ASN B 592 -6.445 -20.853 -19.843 1.00 19.67 O ATOM 2412 ND2 ASN B 592 -8.667 -20.598 -19.539 1.00 20.54 N ATOM 2413 HD22 ASN B 592 -9.460 -20.559 -18.868 1.00 0.00 H ATOM 2414 HD21 ASN B 592 -8.841 -20.482 -20.558 1.00 0.00 H ATOM 2415 H ASN B 592 -7.344 -23.593 -17.863 1.00 0.00 H ATOM 2416 N ILE B 593 -5.894 -23.211 -15.154 1.00 12.39 N ATOM 2417 CA ILE B 593 -5.497 -23.395 -13.771 1.00 12.01 C ATOM 2418 C ILE B 593 -4.004 -23.059 -13.648 1.00 12.04 C ATOM 2419 O ILE B 593 -3.206 -23.430 -14.508 1.00 12.82 O ATOM 2420 CB ILE B 593 -5.785 -24.831 -13.327 1.00 11.85 C ATOM 2421 CG1 ILE B 593 -7.296 -25.051 -13.266 1.00 11.94 C ATOM 2422 CG2 ILE B 593 -5.130 -25.112 -11.987 1.00 13.82 C ATOM 2423 CD1 ILE B 593 -7.672 -26.506 -12.976 1.00 13.26 C ATOM 2424 H ILE B 593 -6.200 -24.036 -15.707 1.00 0.00 H ATOM 2425 N ARG B 594 -3.686 -22.321 -12.596 1.00 11.87 N ATOM 2426 CA ARG B 594 -2.333 -21.887 -12.281 1.00 12.96 C ATOM 2427 C ARG B 594 -1.886 -22.514 -10.970 1.00 11.54 C ATOM 2428 O ARG B 594 -2.699 -22.864 -10.113 1.00 11.81 O ATOM 2429 CB ARG B 594 -2.290 -20.361 -12.102 1.00 12.24 C ATOM 2430 CG ARG B 594 -2.933 -19.576 -13.222 1.00 16.12 C ATOM 2431 CD ARG B 594 -1.941 -19.325 -14.352 1.00 15.99 C ATOM 2432 NE ARG B 594 -0.737 -18.602 -13.933 1.00 17.94 N ATOM 2433 CZ ARG B 594 -0.618 -17.276 -13.922 1.00 20.44 C ATOM 2434 NH1 ARG B 594 -1.634 -16.507 -14.290 1.00 28.10 N ATOM 2435 NH2 ARG B 594 0.516 -16.716 -13.537 1.00 35.71 N ATOM 2436 HE ARG B 594 0.081 -19.164 -13.623 1.00 0.00 H ATOM 2437 HH12 ARG B 594 -1.533 -15.472 -14.279 1.00 0.00 H ATOM 2438 HH11 ARG B 594 -2.531 -16.939 -14.590 1.00 0.00 H ATOM 2439 HH22 ARG B 594 0.608 -15.680 -13.529 1.00 0.00 H ATOM 2440 HH21 ARG B 594 1.316 -17.311 -13.242 1.00 0.00 H ATOM 2441 H ARG B 594 -4.452 -22.033 -11.954 1.00 0.00 H ATOM 2442 N VAL B 595 -0.575 -22.606 -10.786 1.00 11.63 N ATOM 2443 CA VAL B 595 -0.045 -23.224 -9.579 1.00 12.67 C ATOM 2444 C VAL B 595 1.328 -22.651 -9.296 1.00 11.88 C ATOM 2445 O VAL B 595 2.146 -22.503 -10.207 1.00 14.08 O ATOM 2446 CB VAL B 595 -0.002 -24.765 -9.670 1.00 13.89 C ATOM 2447 CG1 VAL B 595 0.809 -25.195 -10.871 1.00 15.85 C ATOM 2448 CG2 VAL B 595 0.567 -25.339 -8.372 1.00 16.62 C ATOM 2449 H VAL B 595 0.076 -22.235 -11.507 1.00 0.00 H ATOM 2450 N THR B 596 1.567 -22.305 -8.022 1.00 11.21 N ATOM 2451 CA THR B 596 2.892 -21.912 -7.556 1.00 11.74 C ATOM 2452 C THR B 596 3.204 -22.671 -6.274 1.00 11.02 C ATOM 2453 O THR B 596 2.306 -22.919 -5.465 1.00 10.95 O ATOM 2454 CB THR B 596 3.026 -20.390 -7.254 1.00 11.74 C ATOM 2455 OG1 THR B 596 4.357 -20.100 -6.763 1.00 11.81 O ATOM 2456 CG2 THR B 596 1.991 -19.931 -6.249 1.00 11.39 C ATOM 2457 HG1 THR B 596 4.520 -20.614 -5.933 1.00 0.00 H ATOM 2458 H THR B 596 0.780 -22.317 -7.343 1.00 0.00 H ATOM 2459 N VAL B 597 4.475 -23.048 -6.110 1.00 11.17 N ATOM 2460 CA VAL B 597 4.969 -23.544 -4.830 1.00 11.93 C ATOM 2461 C VAL B 597 4.853 -22.419 -3.825 1.00 10.85 C ATOM 2462 O VAL B 597 4.999 -21.237 -4.159 1.00 12.16 O ATOM 2463 CB VAL B 597 6.422 -24.022 -4.955 1.00 11.79 C ATOM 2464 CG1 VAL B 597 7.017 -24.338 -3.584 1.00 14.92 C ATOM 2465 CG2 VAL B 597 6.497 -25.248 -5.858 1.00 15.06 C ATOM 2466 H VAL B 597 5.130 -22.986 -6.916 1.00 0.00 H ATOM 2467 N CYS B 598 4.570 -22.790 -2.588 1.00 11.33 N ATOM 2468 CA CYS B 598 4.606 -21.836 -1.494 1.00 11.16 C ATOM 2469 C CYS B 598 5.289 -22.479 -0.298 1.00 12.12 C ATOM 2470 O CYS B 598 5.437 -23.705 -0.213 1.00 13.80 O ATOM 2471 CB CYS B 598 3.225 -21.319 -1.113 1.00 15.30 C ATOM 2472 SG CYS B 598 2.062 -22.568 -0.663 1.00 16.39 S ATOM 2473 H CYS B 598 4.318 -23.780 -2.396 1.00 0.00 H ATOM 2474 N SER B 599 5.779 -21.622 0.586 1.00 11.65 N ATOM 2475 CA SER B 599 6.445 -22.069 1.799 1.00 13.50 C ATOM 2476 C SER B 599 5.939 -21.273 2.988 1.00 11.28 C ATOM 2477 O SER B 599 5.500 -20.129 2.858 1.00 12.92 O ATOM 2478 CB SER B 599 7.960 -21.943 1.717 1.00 14.08 C ATOM 2479 OG SER B 599 8.357 -20.619 1.549 1.00 22.30 O ATOM 2480 HG SER B 599 9.345 -20.576 1.500 1.00 0.00 H ATOM 2481 H SER B 599 5.685 -20.602 0.407 1.00 0.00 H ATOM 2482 N PHE B 600 5.988 -21.914 4.162 1.00 11.17 N ATOM 2483 CA PHE B 600 5.511 -21.342 5.428 1.00 11.78 C ATOM 2484 C PHE B 600 6.712 -21.239 6.358 1.00 11.54 C ATOM 2485 O PHE B 600 7.234 -22.267 6.796 1.00 12.41 O ATOM 2486 CB PHE B 600 4.410 -22.208 6.062 1.00 11.86 C ATOM 2487 CG PHE B 600 3.234 -22.448 5.131 1.00 10.97 C ATOM 2488 CD1 PHE B 600 2.300 -21.454 4.902 1.00 11.73 C ATOM 2489 CD2 PHE B 600 3.098 -23.656 4.453 1.00 11.81 C ATOM 2490 CE1 PHE B 600 1.242 -21.659 4.013 1.00 12.20 C ATOM 2491 CE2 PHE B 600 2.052 -23.866 3.551 1.00 13.17 C ATOM 2492 CZ PHE B 600 1.116 -22.864 3.352 1.00 12.85 C ATOM 2493 H PHE B 600 6.388 -22.874 4.179 1.00 0.00 H ATOM 2494 N ASP B 601 7.141 -20.012 6.665 1.00 11.57 N ATOM 2495 CA ASP B 601 8.379 -19.805 7.411 1.00 11.90 C ATOM 2496 C ASP B 601 8.413 -20.651 8.679 1.00 12.07 C ATOM 2497 O ASP B 601 9.423 -21.294 8.987 1.00 12.34 O ATOM 2498 CB ASP B 601 8.515 -18.329 7.812 1.00 12.72 C ATOM 2499 CG ASP B 601 9.049 -17.436 6.700 1.00 17.50 C ATOM 2500 OD1 ASP B 601 9.013 -17.838 5.531 1.00 16.47 O ATOM 2501 OD2 ASP B 601 9.505 -16.322 7.030 1.00 15.78 O ATOM 2502 H ASP B 601 6.582 -19.187 6.367 1.00 0.00 H ATOM 2503 N ASP B 602 7.317 -20.624 9.442 1.00 12.08 N ATOM 2504 CA ASP B 602 7.241 -21.281 10.742 1.00 12.43 C ATOM 2505 C ASP B 602 6.390 -22.539 10.706 1.00 13.18 C ATOM 2506 O ASP B 602 6.114 -23.116 11.769 1.00 14.92 O ATOM 2507 CB ASP B 602 6.709 -20.300 11.787 1.00 12.85 C ATOM 2508 CG ASP B 602 7.659 -19.132 12.031 1.00 13.86 C ATOM 2509 OD1 ASP B 602 8.888 -19.319 11.930 1.00 17.78 O ATOM 2510 OD2 ASP B 602 7.156 -18.037 12.324 1.00 16.69 O ATOM 2511 H ASP B 602 6.481 -20.112 9.094 1.00 0.00 H ATOM 2512 N GLY B 603 5.971 -22.983 9.521 1.00 11.79 N ATOM 2513 CA GLY B 603 5.062 -24.107 9.415 1.00 13.07 C ATOM 2514 C GLY B 603 3.655 -23.677 9.757 1.00 11.62 C ATOM 2515 O GLY B 603 3.405 -22.583 10.260 1.00 12.73 O ATOM 2516 H GLY B 603 6.303 -22.513 8.655 1.00 0.00 H ATOM 2517 N VAL B 604 2.706 -24.575 9.428 1.00 13.29 N ATOM 2518 CA VAL B 604 1.314 -24.443 9.830 1.00 11.59 C ATOM 2519 C VAL B 604 0.958 -25.619 10.730 1.00 11.89 C ATOM 2520 O VAL B 604 1.090 -26.785 10.331 1.00 12.74 O ATOM 2521 CB VAL B 604 0.375 -24.384 8.619 1.00 11.34 C ATOM 2522 CG1 VAL B 604 -1.064 -24.315 9.082 1.00 13.46 C ATOM 2523 CG2 VAL B 604 0.698 -23.175 7.730 1.00 14.57 C ATOM 2524 H VAL B 604 2.981 -25.401 8.860 1.00 0.00 H ATOM 2525 N ASP B 605 0.500 -25.326 11.945 1.00 12.32 N ATOM 2526 CA ASP B 605 0.152 -26.370 12.906 1.00 12.78 C ATOM 2527 C ASP B 605 -1.291 -26.809 12.650 1.00 12.77 C ATOM 2528 O ASP B 605 -2.235 -26.409 13.343 1.00 13.57 O ATOM 2529 CB ASP B 605 0.360 -25.883 14.329 1.00 13.44 C ATOM 2530 CG ASP B 605 1.838 -25.741 14.708 1.00 18.74 C ATOM 2531 OD1 ASP B 605 2.728 -26.165 13.940 1.00 21.85 O ATOM 2532 OD2 ASP B 605 2.129 -25.220 15.808 1.00 20.58 O ATOM 2533 H ASP B 605 0.387 -24.329 12.217 1.00 0.00 H ATOM 2534 N LEU B 606 -1.455 -27.657 11.643 1.00 12.47 N ATOM 2535 CA LEU B 606 -2.769 -28.192 11.334 1.00 13.10 C ATOM 2536 C LEU B 606 -3.265 -28.995 12.533 1.00 13.16 C ATOM 2537 O LEU B 606 -2.470 -29.676 13.197 1.00 13.98 O ATOM 2538 CB LEU B 606 -2.702 -29.086 10.107 1.00 12.31 C ATOM 2539 CG LEU B 606 -2.351 -28.407 8.784 1.00 11.86 C ATOM 2540 CD1 LEU B 606 -2.196 -29.454 7.669 1.00 11.86 C ATOM 2541 CD2 LEU B 606 -3.355 -27.349 8.337 1.00 11.79 C ATOM 2542 H LEU B 606 -0.635 -27.941 11.070 1.00 0.00 H ATOM 2543 N PRO B 607 -4.564 -28.925 12.859 1.00 13.47 N ATOM 2544 CA PRO B 607 -5.036 -29.504 14.130 1.00 14.20 C ATOM 2545 C PRO B 607 -5.127 -31.010 14.137 1.00 17.66 C ATOM 2546 O PRO B 607 -5.033 -31.603 15.211 1.00 25.72 O ATOM 2547 CB PRO B 607 -6.423 -28.882 14.307 1.00 17.92 C ATOM 2548 CG PRO B 607 -6.896 -28.654 12.883 1.00 16.67 C ATOM 2549 CD PRO B 607 -5.619 -28.150 12.181 1.00 13.41 C ATOM 2550 OXT PRO B 607 -5.250 -31.692 13.130 1.00 15.97 O TER 2551 PRO B 607 HETATM 2552 O HOH 1 -16.959 -27.076 7.150 1.00 38.04 O HETATM 2553 O HOH 2 -4.402 -13.017 26.883 1.00 40.72 O HETATM 2554 O HOH 3 9.166 -7.664 12.123 1.00 27.17 O HETATM 2555 O HOH 4 -20.104 -19.480 10.232 1.00 39.74 O HETATM 2556 O HOH 5 -15.033 -31.462 -1.004 1.00 21.20 O HETATM 2557 O HOH 6 8.713 2.468 -1.173 1.00 35.05 O HETATM 2558 O HOH 7 -9.264 -41.768 8.472 1.00 27.86 O HETATM 2559 O HOH 8 4.005 -21.090 -11.586 1.00 20.31 O HETATM 2560 O HOH 9 2.227 -14.900 -10.659 1.00 39.17 O HETATM 2561 O HOH 10 7.660 -6.149 18.613 1.00 33.69 O HETATM 2562 O HOH 11 12.261 -4.451 -8.864 1.00 29.72 O HETATM 2563 O HOH 12 2.235 -21.184 12.240 1.00 13.33 O HETATM 2564 O HOH 13 -11.748 -15.514 27.668 1.00 40.58 O HETATM 2565 O HOH 14 -14.119 -35.115 10.795 1.00 29.99 O HETATM 2566 O HOH 15 -0.005 -3.216 -2.501 1.00 31.26 O HETATM 2567 O HOH 16 9.396 -18.104 -2.532 1.00 18.54 O HETATM 2568 O HOH 17 6.534 -7.510 -5.329 1.00 12.17 O HETATM 2569 O HOH 18 -1.380 1.528 6.857 1.00 31.18 O HETATM 2570 O HOH 19 -14.630 -19.243 2.503 1.00 23.18 O HETATM 2571 O HOH 20 -7.861 -0.113 3.761 1.00 31.03 O HETATM 2572 O HOH 21 -8.398 1.909 5.415 1.00 47.23 O HETATM 2573 O HOH 22 9.687 -21.234 -9.579 1.00 16.70 O HETATM 2574 O HOH 23 10.463 -4.303 -11.646 1.00 40.90 O HETATM 2575 O HOH 24 6.318 -2.738 13.469 1.00 21.29 O HETATM 2576 O HOH 25 -20.090 2.330 20.541 1.00 18.30 O HETATM 2577 O HOH 26 -9.842 -22.381 1.767 1.00 13.58 O HETATM 2578 O HOH 27 4.619 -6.909 -12.922 1.00 27.38 O HETATM 2579 O HOH 28 11.875 0.072 13.410 1.00 38.87 O HETATM 2580 O HOH 29 -16.193 -25.259 4.138 1.00 24.88 O HETATM 2581 O HOH 30 -18.811 9.179 19.209 1.00 26.97 O HETATM 2582 O HOH 31 -7.969 -33.333 6.801 1.00 13.18 O HETATM 2583 O HOH 32 -7.716 -15.009 28.353 1.00 34.23 O HETATM 2584 O HOH 33 7.260 -8.084 21.380 1.00 36.78 O HETATM 2585 O HOH 34 -14.876 -30.556 11.634 1.00 32.83 O HETATM 2586 O HOH 35 -12.308 -22.620 15.368 1.00 29.38 O HETATM 2587 O HOH 36 -11.612 -12.103 22.350 1.00 41.40 O HETATM 2588 O HOH 37 -6.271 -14.544 -11.259 1.00 24.30 O HETATM 2589 O HOH 38 -11.433 9.890 23.520 1.00 34.45 O HETATM 2590 O HOH 39 8.004 -10.763 -8.720 1.00 33.81 O HETATM 2591 O HOH 40 2.050 -7.504 23.227 1.00 23.62 O HETATM 2592 O HOH 41 -14.409 -15.382 19.844 1.00 34.74 O HETATM 2593 O HOH 42 -10.940 -40.695 11.589 1.00 29.83 O HETATM 2594 O HOH 43 1.886 -5.181 0.112 1.00 20.12 O HETATM 2595 O HOH 44 -4.468 2.796 8.364 1.00 25.33 O HETATM 2596 O HOH 45 4.985 -2.621 -13.010 1.00 30.11 O HETATM 2597 O HOH 46 7.885 -14.054 2.603 1.00 15.32 O HETATM 2598 O HOH 47 5.867 0.258 6.148 1.00 18.69 O HETATM 2599 O HOH 48 0.602 2.916 10.942 1.00 27.22 O HETATM 2600 O HOH 49 -17.548 -36.120 9.398 1.00 42.08 O HETATM 2601 O HOH 50 -8.502 -9.951 -14.120 1.00 22.59 O HETATM 2602 O HOH 51 6.348 -22.556 -8.188 1.00 13.22 O HETATM 2603 O HOH 52 1.695 -11.420 -8.623 1.00 15.19 O HETATM 2604 O HOH 53 -0.755 -14.680 21.956 1.00 17.22 O HETATM 2605 O HOH 54 -14.620 -33.121 8.912 1.00 24.57 O HETATM 2606 O HOH 55 0.248 -15.255 17.432 1.00 14.80 O HETATM 2607 O HOH 56 4.214 -8.741 22.745 1.00 27.71 O HETATM 2608 O HOH 57 8.259 -14.606 -7.998 1.00 34.56 O HETATM 2609 O HOH 58 -25.237 10.825 21.599 1.00 32.23 O HETATM 2610 O HOH 59 12.263 -10.751 12.166 1.00 15.36 O HETATM 2611 O HOH 60 -1.120 -17.830 19.790 1.00 17.67 O HETATM 2612 O HOH 61 -3.145 3.941 16.690 1.00 30.18 O HETATM 2613 O HOH 62 10.164 -1.329 -2.811 1.00 22.67 O HETATM 2614 O HOH 63 -4.263 -6.067 27.461 1.00 28.53 O HETATM 2615 O HOH 64 -13.992 -30.838 2.172 1.00 16.71 O HETATM 2616 O HOH 65 -8.484 1.583 19.908 1.00 23.78 O HETATM 2617 O HOH 66 -7.537 -40.856 10.943 1.00 35.24 O HETATM 2618 O HOH 67 -8.684 -21.020 20.697 1.00 26.25 O HETATM 2619 O HOH 68 7.756 2.252 -9.790 1.00 24.60 O HETATM 2620 O HOH 69 -11.722 -11.472 0.905 1.00 11.85 O HETATM 2621 O HOH 70 -13.927 -21.771 1.890 1.00 16.35 O HETATM 2622 O HOH 71 -1.377 -13.415 26.291 1.00 34.60 O HETATM 2623 O HOH 72 8.652 -15.429 -3.597 1.00 29.82 O HETATM 2624 O HOH 73 11.016 -10.819 14.643 1.00 24.13 O HETATM 2625 O HOH 74 11.185 -17.662 -7.184 1.00 22.04 O HETATM 2626 O HOH 75 -5.875 4.461 19.373 1.00 27.02 O HETATM 2627 O HOH 76 3.843 3.669 17.401 1.00 21.25 O HETATM 2628 O HOH 77 11.226 2.951 3.467 1.00 44.43 O HETATM 2629 O HOH 78 0.478 -5.697 -10.255 1.00 23.94 O HETATM 2630 O HOH 79 9.234 -17.124 -10.775 1.00 27.23 O HETATM 2631 O HOH 80 -15.533 -27.479 1.084 1.00 21.03 O HETATM 2632 O HOH 81 9.058 -8.537 -5.969 1.00 21.14 O HETATM 2633 O HOH 82 -18.596 8.839 22.630 1.00 21.24 O HETATM 2634 O HOH 83 -5.414 6.391 13.241 1.00 39.66 O HETATM 2635 O HOH 84 -16.536 3.669 17.116 1.00 23.99 O HETATM 2636 O HOH 85 -6.207 11.668 19.888 1.00 42.55 O HETATM 2637 O HOH 86 1.989 -17.566 16.226 1.00 11.84 O HETATM 2638 O HOH 87 5.926 -5.399 13.650 1.00 14.36 O HETATM 2639 O HOH 88 -3.402 -21.935 19.155 1.00 36.58 O HETATM 2640 O HOH 89 -1.851 -9.484 -10.377 1.00 27.96 O HETATM 2641 O HOH 90 -15.526 -23.596 12.434 1.00 28.76 O HETATM 2642 O HOH 91 -18.922 1.258 26.619 1.00 23.67 O HETATM 2643 O HOH 92 0.919 -14.025 19.867 1.00 14.95 O HETATM 2644 O HOH 93 6.300 1.275 0.791 1.00 34.19 O HETATM 2645 O HOH 94 10.119 -12.936 -4.377 1.00 22.19 O HETATM 2646 O HOH 95 4.992 -5.263 16.260 1.00 15.76 O HETATM 2647 O HOH 96 8.060 -13.420 16.221 1.00 42.26 O HETATM 2648 O HOH 97 -10.385 5.052 21.498 1.00 20.67 O HETATM 2649 O HOH 98 -8.586 -41.378 3.551 1.00 17.81 O HETATM 2650 O HOH 99 -2.110 -39.611 9.735 1.00 22.78 O HETATM 2651 O HOH 100 4.746 -0.708 8.577 1.00 19.22 O HETATM 2652 O HOH 101 -2.099 -9.994 27.914 1.00 44.08 O HETATM 2653 O HOH 102 -17.585 -28.826 3.915 1.00 22.75 O HETATM 2654 O HOH 103 6.580 0.633 -5.301 1.00 31.08 O HETATM 2655 O HOH 104 -13.781 -10.988 8.483 1.00 18.12 O HETATM 2656 O HOH 105 -8.057 8.478 23.636 1.00 19.53 O HETATM 2657 O HOH 106 -6.204 -3.185 19.888 1.00 21.55 O HETATM 2658 O HOH 107 -2.119 -23.672 17.505 1.00 27.92 O HETATM 2659 O HOH 108 -14.943 -14.285 5.180 1.00 14.40 O HETATM 2660 O HOH 109 -5.400 7.827 22.920 1.00 19.19 O HETATM 2661 O HOH 110 -10.426 -20.637 14.104 1.00 17.06 O HETATM 2662 O HOH 111 5.943 6.408 11.628 1.00 31.53 O HETATM 2663 O HOH 112 -15.786 -9.525 4.395 1.00 19.54 O HETATM 2664 O HOH 113 -14.463 10.629 20.563 1.00 28.90 O HETATM 2665 O HOH 114 -6.676 -21.900 18.463 1.00 36.27 O HETATM 2666 O HOH 115 -10.158 5.148 17.899 1.00 29.68 O HETATM 2667 O HOH 116 -14.072 -41.782 8.239 1.00 30.49 O HETATM 2668 O HOH 117 -16.647 -17.969 16.765 1.00 22.38 O HETATM 2669 O HOH 118 -7.988 -39.089 14.891 1.00 34.55 O HETATM 2670 O HOH 119 11.737 1.323 10.744 1.00 24.48 O HETATM 2671 O HOH 120 -17.276 -5.448 18.577 1.00 26.14 O HETATM 2672 O HOH 121 5.639 -11.228 19.236 1.00 47.57 O HETATM 2673 O HOH 122 5.977 -10.167 17.725 1.00 34.00 O HETATM 2674 O HOH 123 3.769 -20.068 14.245 1.00 20.21 O HETATM 2675 O HOH 124 -14.727 -21.050 16.009 1.00 19.72 O HETATM 2676 O HOH 125 -0.933 3.243 4.670 1.00 33.44 O HETATM 2677 O HOH 126 -18.596 -1.164 20.526 1.00 35.13 O HETATM 2678 O HOH 127 0.534 -10.032 -10.863 1.00 36.14 O HETATM 2679 O HOH 128 7.970 -7.974 17.660 1.00 38.38 O HETATM 2680 O HOH 129 -9.949 2.375 13.832 1.00 25.23 O HETATM 2681 O HOH 130 -15.092 -32.336 5.873 1.00 20.22 O HETATM 2682 O HOH 131 -3.246 -1.331 -3.260 1.00 18.25 O HETATM 2683 O HOH 132 8.884 4.953 13.689 1.00 33.13 O HETATM 2684 O HOH 133 10.355 -8.298 -1.169 1.00 14.98 O HETATM 2685 O HOH 134 6.828 -3.616 17.412 1.00 18.91 O HETATM 2686 O HOH 135 -9.909 -22.611 16.703 1.00 34.45 O HETATM 2687 O HOH 136 -1.749 -19.568 23.091 1.00 41.15 O HETATM 2688 O HOH 137 10.674 -1.837 -6.804 1.00 29.44 O HETATM 2689 O HOH 138 -14.253 -20.031 8.322 1.00 20.59 O HETATM 2690 O HOH 139 11.358 -7.226 1.197 1.00 13.22 O HETATM 2691 O HOH 140 8.788 -14.838 -5.557 1.00 44.38 O HETATM 2692 O HOH 141 -16.809 -9.852 18.466 1.00 32.71 O HETATM 2693 O HOH 142 -15.007 -2.334 8.911 1.00 38.52 O HETATM 2694 O HOH 143 -8.604 7.981 16.549 1.00 41.99 O HETATM 2695 O HOH 144 2.309 -1.811 -6.813 1.00 22.44 O HETATM 2696 O HOH 145 11.093 -15.848 0.916 1.00 30.42 O HETATM 2697 O HOH 146 3.554 -12.808 -9.971 1.00 30.89 O HETATM 2698 O HOH 147 11.890 -14.959 10.696 1.00 30.30 O HETATM 2699 O HOH 148 -13.056 -3.552 7.210 1.00 26.44 O HETATM 2700 O HOH 149 -17.494 -7.685 20.158 1.00 36.63 O HETATM 2701 O HOH 150 -16.333 -19.063 6.407 1.00 26.30 O HETATM 2702 O HOH 151 -11.255 -10.490 18.517 1.00 26.14 O HETATM 2703 O HOH 152 1.682 2.774 -0.154 1.00 39.32 O HETATM 2704 O HOH 153 2.478 3.012 9.144 1.00 35.62 O HETATM 2705 O HOH 154 -15.615 -35.177 4.735 1.00 13.15 O HETATM 2706 O HOH 155 -14.946 -22.807 4.010 1.00 36.62 O HETATM 2707 O HOH 156 0.717 -8.586 25.883 1.00 45.45 O HETATM 2708 O HOH 157 4.907 3.030 8.847 1.00 29.35 O HETATM 2709 O HOH 158 -13.009 -13.131 24.156 1.00 36.65 O HETATM 2710 O HOH 159 10.726 -13.595 14.724 1.00 35.65 O HETATM 2711 O HOH 160 7.078 -3.574 -14.037 1.00 30.84 O HETATM 2712 O HOH 161 -7.888 -6.555 25.743 1.00 29.59 O HETATM 2713 O HOH 162 -16.486 -16.690 5.120 1.00 23.18 O HETATM 2714 O HOH 163 3.857 -11.649 -12.446 1.00 36.65 O HETATM 2715 O HOH 164 -16.155 -21.696 9.249 1.00 29.78 O HETATM 2716 O HOH 165 6.582 -13.142 -9.083 1.00 33.45 O HETATM 2717 O HOH 166 5.326 1.253 -7.428 1.00 35.83 O HETATM 2718 O HOH 167 -10.613 -29.468 14.738 1.00 24.74 O HETATM 2719 O HOH 168 12.229 -14.739 -2.586 1.00 29.72 O HETATM 2720 O HOH 169 7.816 2.761 2.491 1.00 39.80 O HETATM 2721 O HOH 170 -16.110 -12.684 7.191 1.00 17.64 O HETATM 2722 O HOH 171 -16.745 -23.129 10.871 1.00 35.79 O HETATM 2723 O HOH 172 -16.831 -42.064 8.560 1.00 33.62 O HETATM 2724 O HOH 173 2.362 -1.326 -9.632 1.00 40.85 O HETATM 2725 O HOH 174 -4.832 0.816 -2.173 1.00 24.83 O HETATM 2726 O HOH 175 8.638 -6.018 13.818 1.00 24.23 O HETATM 2727 O HOH 176 8.832 2.672 19.207 1.00 33.98 O HETATM 2728 O HOH 177 -2.648 1.341 -0.776 1.00 28.39 O HETATM 2729 O HOH 178 -10.622 -9.464 22.191 1.00 28.01 O HETATM 2730 O HOH 179 -16.979 11.026 22.244 1.00 27.76 O HETATM 2731 O HOH 180 13.288 -8.613 2.973 1.00 14.95 O HETATM 2732 O HOH 181 -27.968 7.415 21.760 1.00 30.55 O HETATM 2733 O HOH 182 -7.042 -23.055 20.640 1.00 42.69 O HETATM 2734 O HOH 183 -4.884 -10.905 28.566 1.00 40.39 O HETATM 2735 O HOH 184 -1.131 -20.451 20.533 1.00 34.88 O HETATM 2736 O HOH 185 -8.506 4.300 19.753 1.00 26.72 O HETATM 2737 O HOH 186 1.513 4.077 6.771 1.00 34.21 O HETATM 2738 O HOH 187 8.704 -2.961 15.776 1.00 30.85 O HETATM 2739 O HOH 188 5.703 3.022 6.330 1.00 31.08 O HETATM 2740 O HOH 189 -7.626 -41.662 6.101 1.00 27.85 O HETATM 2741 O HOH 190 3.559 3.518 4.364 1.00 42.54 O HETATM 2742 O HOH 191 -11.036 4.152 15.485 1.00 35.43 O HETATM 2743 O HOH 192 -7.876 -23.422 17.033 1.00 36.43 O HETATM 2744 O HOH 193 -19.513 -21.306 11.802 1.00 37.59 O HETATM 2745 O HOH 194 -18.776 -18.582 14.743 1.00 32.07 O HETATM 2746 O HOH 195 -17.543 -14.918 11.747 1.00 31.49 O HETATM 2747 O HOH 196 10.082 1.136 18.314 1.00 39.45 O HETATM 2748 O HOH 197 -17.253 -30.591 6.118 1.00 28.09 O HETATM 2749 O HOH 198 -19.200 -16.544 12.852 1.00 41.74 O HETATM 2750 O HOH 199 1.648 0.586 -5.688 1.00 33.91 O HETATM 2751 O HOH 200 -2.923 4.003 0.398 1.00 36.48 O HETATM 2752 O HOH 201 -4.649 -23.336 15.800 1.00 36.16 O HETATM 2753 O HOH 202 -18.364 -30.567 1.897 1.00 23.10 O HETATM 2754 O HOH 203 -6.114 -41.116 2.155 1.00 18.72 O HETATM 2755 O HOH 204 -0.152 -15.465 24.520 1.00 33.75 O HETATM 2756 O HOH 205 -12.358 -42.674 10.440 1.00 35.82 O HETATM 2757 O HOH 206 -17.014 -20.851 4.576 1.00 32.02 O HETATM 2758 O HOH 207 -1.243 5.000 11.185 1.00 38.38 O HETATM 2759 O HOH 208 9.356 -6.363 16.238 1.00 36.29 O HETATM 2760 O HOH 209 -16.215 -0.678 7.075 1.00 33.23 O HETATM 2761 O HOH 210 0.994 -2.966 -11.199 1.00 28.51 O HETATM 2762 O HOH 211 10.810 -8.022 -3.884 1.00 30.82 O HETATM 2763 O HOH 212 2.466 -5.872 -14.494 1.00 25.59 O HETATM 2764 O HOH 213 11.934 -19.846 -8.677 1.00 20.01 O HETATM 2765 O HOH 214 0.844 -7.663 -12.143 1.00 42.81 O HETATM 2766 O HOH 215 10.480 -21.669 -12.453 1.00 33.28 O HETATM 2767 O HOH 216 12.225 -18.142 -2.491 1.00 20.97 O HETATM 2768 O HOH 217 -18.396 -34.088 5.015 1.00 26.66 O HETATM 2769 O HOH 218 -19.719 -23.293 6.265 1.00 32.31 O HETATM 2770 O HOH 219 -0.587 -0.791 -3.319 1.00 32.67 O HETATM 2771 O HOH 220 2.278 -3.314 -13.773 1.00 19.91 O HETATM 2772 O HOH 221 12.347 -1.188 -9.370 1.00 35.61 O HETATM 2773 O HOH 222 8.596 -9.993 -11.283 1.00 39.79 O HETATM 2774 O HOH 223 -16.730 -22.502 14.726 1.00 30.90 O HETATM 2775 O HOH 224 1.664 -18.049 20.014 1.00 32.39 O HETATM 2776 O HOH 225 -13.992 -34.309 12.992 1.00 38.01 O HETATM 2777 O HOH 226 -13.901 -31.789 14.108 1.00 32.65 O HETATM 2778 O HOH 227 10.015 2.631 -8.477 1.00 31.99 O HETATM 2779 O HOH 228 5.385 -15.731 20.704 1.00 48.73 O HETATM 2780 O HOH 229 2.679 -10.446 26.934 1.00 44.06 O HETATM 2781 O HOH 230 8.588 4.157 16.688 1.00 31.54 O HETATM 2782 O HOH 231 3.278 -15.411 20.541 1.00 35.47 O HETATM 2783 O HOH 232 -5.671 -42.096 10.090 1.00 28.57 O HETATM 2784 O HOH 233 5.020 -9.479 -13.407 1.00 39.42 O HETATM 2785 O HOH 234 -0.399 1.371 -2.719 1.00 38.88 O HETATM 2786 O HOH 235 -9.538 -27.944 17.084 1.00 32.87 O HETATM 2787 O HOH 236 -18.047 13.046 20.932 1.00 35.01 O HETATM 2788 O HOH 237 -18.748 -21.040 13.885 1.00 34.40 O HETATM 2789 O HOH 238 -14.479 -23.760 18.805 1.00 43.01 O HETATM 2790 O HOH 239 -7.582 3.243 1.017 1.00 33.44 O HETATM 2791 O HOH 240 -7.814 -25.954 17.690 1.00 40.17 O HETATM 2792 O HOH 241 -10.821 -26.588 18.713 1.00 42.35 O HETATM 2793 O HOH 242 -6.286 -43.942 5.865 1.00 40.12 O HETATM 2794 O HOH 243 -12.629 -45.143 -11.880 1.00 39.75 O HETATM 2795 O HOH 244 -18.163 -12.846 -7.198 1.00 24.65 O HETATM 2796 O HOH 245 -16.994 -45.565 -9.918 1.00 38.31 O HETATM 2797 O HOH 246 8.582 -40.082 2.842 1.00 32.74 O HETATM 2798 O HOH 247 12.003 -32.175 8.698 1.00 33.77 O HETATM 2799 O HOH 248 -4.031 -20.193 -19.902 1.00 36.61 O HETATM 2800 O HOH 249 14.289 -37.809 13.444 1.00 27.20 O HETATM 2801 O HOH 250 -1.579 -44.775 -15.592 1.00 40.60 O HETATM 2802 O HOH 251 10.129 -18.832 1.801 1.00 34.31 O HETATM 2803 O HOH 252 5.169 -17.499 13.819 1.00 23.48 O HETATM 2804 O HOH 253 -20.480 -14.304 -3.922 1.00 20.99 O HETATM 2805 O HOH 254 2.111 -34.420 10.942 1.00 27.22 O HETATM 2806 O HOH 255 1.876 -39.144 -18.054 1.00 28.58 O HETATM 2807 O HOH 256 13.255 -26.635 -5.691 1.00 31.86 O HETATM 2808 O HOH 257 -15.377 -25.973 -15.255 1.00 26.47 O HETATM 2809 O HOH 258 -10.118 -18.321 2.202 1.00 15.59 O HETATM 2810 O HOH 259 -17.373 -32.714 -10.662 1.00 25.23 O HETATM 2811 O HOH 260 -13.650 -18.318 -11.604 1.00 22.80 O HETATM 2812 O HOH 261 11.947 -36.888 4.667 1.00 33.47 O HETATM 2813 O HOH 262 -10.381 1.299 -2.121 1.00 28.33 O HETATM 2814 O HOH 263 1.265 -18.248 -9.688 1.00 14.76 O HETATM 2815 O HOH 264 -7.477 3.900 -4.516 1.00 39.79 O HETATM 2816 O HOH 265 -9.226 -37.583 -19.142 1.00 22.99 O HETATM 2817 O HOH 266 10.108 -41.509 10.783 1.00 24.40 O HETATM 2818 O HOH 267 -7.969 3.326 -12.293 1.00 27.62 O HETATM 2819 O HOH 268 1.729 -32.622 -20.333 1.00 15.45 O HETATM 2820 O HOH 269 -5.460 -26.734 -24.073 1.00 38.38 O HETATM 2821 O HOH 270 -16.639 -23.153 -3.641 1.00 17.16 O HETATM 2822 O HOH 271 1.741 -26.138 18.295 1.00 35.49 O HETATM 2823 O HOH 272 -4.496 -33.782 -24.668 1.00 27.42 O HETATM 2824 O HOH 273 -4.488 -39.688 3.867 1.00 19.48 O HETATM 2825 O HOH 274 -15.102 -10.140 1.752 1.00 20.80 O HETATM 2826 O HOH 275 -10.577 -19.779 -16.926 1.00 27.83 O HETATM 2827 O HOH 276 -13.024 -25.119 -24.030 1.00 26.90 O HETATM 2828 O HOH 277 -2.938 -25.942 15.902 1.00 39.94 O HETATM 2829 O HOH 278 -6.507 -40.357 -0.318 1.00 20.89 O HETATM 2830 O HOH 279 -11.679 -28.823 -19.725 1.00 25.42 O HETATM 2831 O HOH 280 9.133 -15.374 9.538 1.00 16.22 O HETATM 2832 O HOH 281 -15.904 -23.228 -0.700 1.00 18.86 O HETATM 2833 O HOH 282 -5.391 -18.380 -16.013 1.00 32.85 O HETATM 2834 O HOH 283 9.650 -28.133 10.901 1.00 17.05 O HETATM 2835 O HOH 284 12.900 -28.134 -3.075 1.00 19.95 O HETATM 2836 O HOH 285 -16.563 -10.591 -7.584 1.00 16.27 O HETATM 2837 O HOH 286 -16.412 -13.506 2.941 1.00 20.98 O HETATM 2838 O HOH 287 -4.450 3.874 -9.085 1.00 35.24 O HETATM 2839 O HOH 288 11.908 -22.955 -5.465 1.00 26.98 O HETATM 2840 O HOH 289 6.633 -38.492 10.798 1.00 27.66 O HETATM 2841 O HOH 290 8.392 -31.448 7.439 1.00 13.44 O HETATM 2842 O HOH 291 5.692 -41.669 5.243 1.00 39.74 O HETATM 2843 O HOH 292 9.025 -23.104 -7.619 1.00 14.42 O HETATM 2844 O HOH 293 10.685 -17.426 12.746 1.00 35.70 O HETATM 2845 O HOH 294 6.685 -16.359 10.211 1.00 12.51 O HETATM 2846 O HOH 295 -6.824 -0.989 -1.031 1.00 17.38 O HETATM 2847 O HOH 296 -20.296 -21.692 -4.558 1.00 16.88 O HETATM 2848 O HOH 297 -16.516 -16.231 -0.091 1.00 21.61 O HETATM 2849 O HOH 298 -1.958 0.159 -10.625 1.00 20.51 O HETATM 2850 O HOH 299 -14.720 -31.987 -16.167 1.00 24.27 O HETATM 2851 O HOH 300 -4.535 -25.575 14.622 1.00 30.86 O HETATM 2852 O HOH 301 -5.988 -42.591 -2.150 1.00 30.62 O HETATM 2853 O HOH 302 -10.693 -29.356 2.613 1.00 13.21 O HETATM 2854 O HOH 303 4.194 -23.833 13.693 1.00 27.75 O HETATM 2855 O HOH 304 -14.208 -28.510 -16.073 1.00 25.16 O HETATM 2856 O HOH 305 -1.965 -25.112 -19.020 1.00 16.28 O HETATM 2857 O HOH 306 -18.712 -12.442 -4.566 1.00 32.19 O HETATM 2858 O HOH 307 -2.529 -22.017 -16.841 1.00 18.41 O HETATM 2859 O HOH 308 6.538 -36.131 -14.583 1.00 27.79 O HETATM 2860 O HOH 309 2.755 -42.013 -8.669 1.00 31.16 O HETATM 2861 O HOH 310 7.674 -40.307 0.541 1.00 28.72 O HETATM 2862 O HOH 311 -7.438 -43.405 -9.804 1.00 28.97 O HETATM 2863 O HOH 312 -16.078 -7.827 -5.343 1.00 19.06 O HETATM 2864 O HOH 313 4.762 -25.550 16.633 1.00 31.42 O HETATM 2865 O HOH 314 6.041 -38.670 -6.695 1.00 19.89 O HETATM 2866 O HOH 315 -16.118 -7.128 -8.104 1.00 27.92 O HETATM 2867 O HOH 316 8.535 -15.916 13.490 1.00 15.32 O HETATM 2868 O HOH 317 3.229 -34.232 2.913 1.00 15.41 O HETATM 2869 O HOH 318 3.392 -28.145 11.117 1.00 13.27 O HETATM 2870 O HOH 319 -0.658 -24.555 -14.738 1.00 15.31 O HETATM 2871 O HOH 320 7.206 -39.074 -4.283 1.00 18.59 O HETATM 2872 O HOH 321 -5.938 -34.795 -21.360 1.00 21.73 O HETATM 2873 O HOH 322 -2.647 -4.540 -12.545 1.00 23.54 O HETATM 2874 O HOH 323 10.013 -40.072 15.465 1.00 20.42 O HETATM 2875 O HOH 324 5.775 -33.317 0.817 1.00 13.93 O HETATM 2876 O HOH 325 -9.582 -7.226 -3.154 1.00 13.60 O HETATM 2877 O HOH 326 3.855 -22.592 -16.391 1.00 34.62 O HETATM 2878 O HOH 327 -1.692 2.669 -12.048 1.00 19.68 O HETATM 2879 O HOH 328 11.880 -31.410 -6.550 1.00 21.19 O HETATM 2880 O HOH 329 0.042 -30.582 12.293 1.00 24.21 O HETATM 2881 O HOH 330 12.140 -35.595 -8.833 1.00 29.82 O HETATM 2882 O HOH 331 0.868 -22.347 -13.536 1.00 15.19 O HETATM 2883 O HOH 332 4.045 -43.044 -15.296 1.00 33.04 O HETATM 2884 O HOH 333 -11.485 -37.140 -3.747 1.00 14.76 O HETATM 2885 O HOH 334 5.936 -28.324 -16.153 1.00 36.30 O HETATM 2886 O HOH 335 9.547 -24.055 9.628 1.00 20.55 O HETATM 2887 O HOH 336 -0.076 -25.696 -17.196 1.00 14.58 O HETATM 2888 O HOH 337 8.962 -39.542 7.002 1.00 24.59 O HETATM 2889 O HOH 338 11.326 -29.151 2.878 1.00 14.36 O HETATM 2890 O HOH 339 -16.521 -18.215 -8.429 1.00 24.75 O HETATM 2891 O HOH 340 -2.409 -42.669 -4.519 1.00 27.42 O HETATM 2892 O HOH 341 9.871 -15.743 3.790 1.00 20.44 O HETATM 2893 O HOH 342 -11.990 -43.206 -14.016 1.00 34.01 O HETATM 2894 O HOH 343 1.130 -42.767 -2.053 1.00 33.50 O HETATM 2895 O HOH 344 -10.937 -18.209 -13.010 1.00 33.02 O HETATM 2896 O HOH 345 -2.564 -26.093 -23.265 1.00 38.86 O HETATM 2897 O HOH 346 10.227 -21.630 12.985 1.00 27.02 O HETATM 2898 O HOH 347 6.611 -33.691 -11.622 1.00 21.01 O HETATM 2899 O HOH 348 -9.513 -19.368 -21.998 1.00 40.85 O HETATM 2900 O HOH 349 -11.472 -20.175 -10.317 1.00 14.85 O HETATM 2901 O HOH 350 -1.837 -7.072 -9.303 1.00 14.73 O HETATM 2902 O HOH 351 12.796 -37.132 8.067 1.00 26.29 O HETATM 2903 O HOH 352 -14.177 -26.976 -1.565 1.00 13.41 O HETATM 2904 O HOH 353 14.315 -35.022 8.757 1.00 41.32 O HETATM 2905 O HOH 354 7.639 -25.786 -14.219 1.00 44.49 O HETATM 2906 O HOH 355 7.373 -36.177 -11.309 1.00 33.21 O HETATM 2907 O HOH 356 -13.982 -11.104 -10.321 1.00 22.02 O HETATM 2908 O HOH 357 -13.838 -19.735 -15.700 1.00 35.77 O HETATM 2909 O HOH 358 13.755 -36.700 -1.207 1.00 22.95 O HETATM 2910 O HOH 359 -15.613 -20.256 -12.192 1.00 20.61 O HETATM 2911 O HOH 360 9.463 -23.619 5.481 1.00 25.94 O HETATM 2912 O HOH 361 1.306 -36.986 5.657 1.00 32.46 O HETATM 2913 O HOH 362 -8.163 -18.680 -15.073 1.00 35.88 O HETATM 2914 O HOH 363 -9.051 -24.472 -24.984 1.00 28.97 O HETATM 2915 O HOH 364 -0.608 -38.333 -17.009 1.00 16.42 O HETATM 2916 O HOH 365 -9.798 1.962 -10.901 1.00 27.21 O HETATM 2917 O HOH 366 5.513 -33.817 -14.285 1.00 24.24 O HETATM 2918 O HOH 367 -12.832 -42.668 -5.480 1.00 33.70 O HETATM 2919 O HOH 368 -18.531 -13.203 -0.183 1.00 25.43 O HETATM 2920 O HOH 369 10.943 -30.737 4.989 1.00 20.56 O HETATM 2921 O HOH 370 -12.292 -35.101 -20.949 1.00 32.62 O HETATM 2922 O HOH 371 -17.183 -31.050 -13.819 1.00 27.86 O HETATM 2923 O HOH 372 1.071 -40.524 -6.590 1.00 28.27 O HETATM 2924 O HOH 373 -0.841 -29.199 15.627 1.00 34.78 O HETATM 2925 O HOH 374 -1.340 -38.678 5.916 1.00 24.54 O HETATM 2926 O HOH 375 -8.761 -16.789 -13.841 1.00 31.16 O HETATM 2927 O HOH 376 4.486 -37.960 8.277 1.00 35.16 O HETATM 2928 O HOH 377 -16.598 -9.009 -2.025 1.00 17.88 O HETATM 2929 O HOH 378 9.392 -25.126 2.778 1.00 22.42 O HETATM 2930 O HOH 379 -15.307 -25.286 -21.756 1.00 35.93 O HETATM 2931 O HOH 380 12.601 -30.460 0.797 1.00 13.73 O HETATM 2932 O HOH 381 9.241 -32.677 -11.661 1.00 28.76 O HETATM 2933 O HOH 382 -13.361 -1.595 -3.341 1.00 19.71 O HETATM 2934 O HOH 383 10.214 -26.994 -13.819 1.00 42.73 O HETATM 2935 O HOH 384 0.145 -42.379 -4.749 1.00 35.20 O HETATM 2936 O HOH 385 -15.877 -8.073 0.408 1.00 23.69 O HETATM 2937 O HOH 386 9.619 -41.579 -1.704 1.00 44.80 O HETATM 2938 O HOH 387 -14.938 -18.429 -0.016 1.00 20.01 O HETATM 2939 O HOH 388 -8.313 -43.284 -7.367 1.00 35.86 O HETATM 2940 O HOH 389 14.877 -36.416 10.924 1.00 37.48 O HETATM 2941 O HOH 390 -20.744 -48.299 -5.470 1.00 42.96 O HETATM 2942 O HOH 391 -12.698 0.604 -4.862 1.00 25.99 O HETATM 2943 O HOH 392 -13.256 -0.532 -7.242 1.00 33.67 O HETATM 2944 O HOH 393 7.675 -30.305 -15.657 1.00 34.33 O HETATM 2945 O HOH 394 0.155 -29.464 -23.965 1.00 38.84 O HETATM 2946 O HOH 395 2.208 -36.695 9.923 1.00 30.43 O HETATM 2947 O HOH 396 13.244 -38.333 -8.367 1.00 35.37 O HETATM 2948 O HOH 397 10.879 -17.022 10.835 1.00 32.14 O HETATM 2949 O HOH 398 -14.077 -39.944 -16.010 1.00 42.16 O HETATM 2950 O HOH 399 -6.482 -29.652 -25.030 1.00 35.05 O HETATM 2951 O HOH 400 -13.208 -39.625 -4.186 1.00 12.71 O HETATM 2952 O HOH 401 -15.943 -0.839 -6.904 1.00 33.34 O HETATM 2953 O HOH 402 5.271 -40.990 0.834 1.00 36.96 O HETATM 2954 O HOH 403 2.649 -18.826 -12.060 1.00 21.64 O HETATM 2955 O HOH 404 -16.638 -38.228 -10.243 1.00 14.80 O HETATM 2956 O HOH 405 0.927 -44.307 -12.095 1.00 34.36 O HETATM 2957 O HOH 406 -16.743 -1.796 -4.337 1.00 29.53 O HETATM 2958 O HOH 407 -1.470 1.963 -8.242 1.00 37.81 O HETATM 2959 O HOH 408 1.899 -41.830 -18.937 1.00 38.74 O HETATM 2960 O HOH 409 2.649 -37.656 -20.046 1.00 26.56 O HETATM 2961 O HOH 410 -12.947 -38.125 -17.017 1.00 32.76 O HETATM 2962 O HOH 411 2.604 -30.479 12.471 1.00 30.32 O HETATM 2963 O HOH 412 4.904 -42.035 -7.233 1.00 37.03 O HETATM 2964 O HOH 413 0.218 -38.008 8.857 1.00 32.59 O HETATM 2965 O HOH 414 -16.503 -30.253 -15.362 1.00 32.81 O HETATM 2966 O HOH 415 -16.924 -20.146 -0.066 1.00 27.87 O HETATM 2967 O HOH 416 -18.333 -11.213 -2.110 1.00 20.39 O HETATM 2968 O HOH 417 4.842 -36.436 13.666 1.00 39.31 O HETATM 2969 O HOH 418 -6.613 -13.061 -13.525 1.00 46.10 O HETATM 2970 O HOH 419 6.276 -20.052 15.345 1.00 34.22 O HETATM 2971 O HOH 420 -3.302 -19.202 -17.446 1.00 35.68 O HETATM 2972 O HOH 421 -2.427 -41.359 5.065 1.00 33.13 O HETATM 2973 O HOH 422 -15.405 -5.385 0.715 1.00 17.63 O HETATM 2974 O HOH 423 10.828 -30.175 7.658 1.00 19.91 O HETATM 2975 O HOH 424 -16.757 -39.432 -15.934 1.00 32.75 O HETATM 2976 O HOH 425 -5.881 -29.292 18.281 1.00 35.81 O HETATM 2977 O HOH 426 1.951 -29.703 15.490 1.00 36.81 O HETATM 2978 O HOH 427 -4.638 -41.508 -17.204 1.00 33.20 O HETATM 2979 O HOH 428 4.227 -42.855 -3.255 1.00 42.49 O HETATM 2980 O HOH 429 0.228 -44.537 -1.117 1.00 44.42 O HETATM 2981 O HOH 430 -13.296 -43.074 -16.256 1.00 37.19 O HETATM 2982 O HOH 431 9.690 -42.781 15.243 1.00 25.92 O HETATM 2983 O HOH 432 2.475 -34.160 13.709 1.00 37.09 O HETATM 2984 O HOH 433 -8.880 4.453 -14.601 1.00 40.04 O HETATM 2985 O HOH 434 2.203 -44.506 -8.997 1.00 43.93 O HETATM 2986 O HOH 435 -1.170 -1.912 -12.267 1.00 28.01 O HETATM 2987 O HOH 436 -12.984 -16.858 -13.761 1.00 45.10 O HETATM 2988 O HOH 437 -17.139 -29.499 -0.221 1.00 23.86 O HETATM 2989 O HOH 438 -11.104 -39.323 -20.381 1.00 35.73 O HETATM 2990 O HOH 439 -5.665 -39.538 6.365 1.00 22.04 O HETATM 2991 O HOH 440 11.328 -34.574 -10.734 1.00 36.42 O HETATM 2992 O HOH 441 11.118 -27.808 8.525 1.00 21.95 O HETATM 2993 O HOH 442 -3.943 -40.652 8.243 1.00 28.76 O HETATM 2994 O HOH 443 -13.672 -22.545 -24.223 1.00 44.56 O HETATM 2995 O HOH 444 -14.337 -28.555 -18.810 1.00 24.72 O HETATM 2996 O HOH 445 1.131 -35.421 -20.296 1.00 19.50 O HETATM 2997 O HOH 446 -1.859 -28.853 17.341 1.00 41.13 O HETATM 2998 O HOH 447 -5.420 3.324 -3.169 1.00 34.54 O HETATM 2999 O HOH 448 -14.041 -41.131 -1.999 1.00 42.21 O HETATM 3000 O HOH 449 6.663 -24.123 -16.373 1.00 42.89 O HETATM 3001 O HOH 450 -8.289 0.895 -0.006 1.00 30.36 O HETATM 3002 O HOH 451 7.172 -42.084 -3.955 1.00 45.98 O HETATM 3003 O HOH 452 -18.209 -7.666 -3.573 1.00 19.09 O HETATM 3004 O HOH 453 -13.034 -37.586 -19.042 1.00 37.29 O HETATM 3005 O HOH 454 -1.337 -24.259 -21.571 1.00 24.90 O HETATM 3006 O HOH 455 -16.197 -26.611 -19.797 1.00 31.75 O HETATM 3007 O HOH 456 10.744 -25.139 7.296 1.00 20.71 O HETATM 3008 O HOH 457 14.164 -44.656 -5.852 1.00 48.41 O HETATM 3009 O HOH 458 -14.886 -31.398 -18.805 1.00 28.50 O HETATM 3010 O HOH 459 -1.045 -36.351 -18.945 1.00 18.07 O HETATM 3011 O HOH 460 -16.047 -9.494 -9.930 1.00 22.16 O HETATM 3012 O HOH 461 -16.613 -24.969 1.283 1.00 18.53 O HETATM 3013 O HOH 462 13.493 -35.914 6.025 1.00 35.28 O HETATM 3014 O HOH 463 -2.054 -40.529 -17.887 1.00 25.18 O HETATM 3015 O HOH 464 0.217 -21.507 -17.397 1.00 29.49 O HETATM 3016 O HOH 465 2.402 -44.985 -14.098 1.00 40.32 O HETATM 3017 O HOH 466 12.491 -41.880 9.118 1.00 33.42 O HETATM 3018 O HOH 467 14.152 -39.665 9.072 1.00 40.25 O HETATM 3019 O HOH 468 2.190 -24.239 -17.955 1.00 26.48 O HETATM 3020 O HOH 469 -5.479 -26.706 16.938 1.00 35.78 O HETATM 3021 O HOH 470 -1.000 -43.087 -17.821 1.00 38.23 O HETATM 3022 O HOH 471 -4.567 -44.460 -0.849 1.00 37.57 O HETATM 3023 O HOH 472 -13.863 2.557 -4.274 1.00 36.43 O HETATM 3024 O HOH 473 -12.552 -31.321 -20.727 1.00 34.43 O HETATM 3025 O HOH 474 -15.768 -1.508 -1.618 1.00 30.44 O HETATM 3026 O HOH 475 5.086 -25.338 -17.966 1.00 42.70 O HETATM 3027 O HOH 476 13.304 -46.523 -5.333 1.00 47.06 O HETATM 3028 O HOH 477 -16.449 -19.943 -14.627 1.00 40.55 O HETATM 3029 O HOH 478 -11.765 -15.650 -14.485 1.00 39.77 O HETATM 3030 O HOH 479 -3.563 4.147 -4.581 1.00 39.56 O HETATM 3031 O HOH 480 15.430 -35.320 -2.957 1.00 30.83 O HETATM 3032 O HOH 481 1.196 -24.681 -22.108 1.00 44.25 O HETATM 3033 O HOH 482 -2.387 -44.421 2.056 1.00 39.06 O HETATM 3034 O HOH 483 -5.071 -43.570 1.979 1.00 31.44 O HETATM 3035 O HOH 484 0.651 -20.671 -20.012 1.00 40.37 O HETATM 3036 O HOH 485 15.606 -34.440 -5.564 1.00 35.41 O HETATM 3037 C22 KWG A 486 -6.535 -36.877 -16.577 1.00 -0.05 C HETATM 3038 C17 KWG A 486 -6.218 -35.620 -17.023 1.00 0.02 C HETATM 3039 C16 KWG A 486 -6.968 -34.464 -16.433 1.00 -0.06 C HETATM 3040 C15 KWG A 486 -7.558 -33.589 -15.936 1.00 -0.06 C HETATM 3041 C08 KWG A 486 -8.215 -32.465 -15.193 1.00 0.07 C HETATM 3042 C07 KWG A 486 -7.439 -31.779 -14.289 1.00 -0.05 C HETATM 3043 C06 KWG A 486 -7.997 -30.714 -13.600 1.00 -0.06 C HETATM 3044 C05 KWG A 486 -9.307 -30.380 -13.818 1.00 -0.05 C HETATM 3045 C04 KWG A 486 -10.069 -31.085 -14.730 1.00 0.05 C HETATM 3046 C02 KWG A 486 -11.503 -30.637 -14.915 1.00 0.06 C HETATM 3047 O01 KWG A 486 -12.421 -31.431 -14.597 1.00 -0.56 O HETATM 3048 O03 KWG A 486 -11.711 -29.488 -15.393 1.00 -0.56 O HETATM 3049 C09 KWG A 486 -9.531 -32.147 -15.454 1.00 0.13 C HETATM 3050 N10 KWG A 486 -10.289 -32.815 -16.347 1.00 -0.24 N HETATM 3051 C11 KWG A 486 -10.870 -32.201 -17.374 1.00 0.03 C HETATM 3052 C12 KWG A 486 -11.602 -33.133 -18.092 1.00 -0.08 C HETATM 3053 C13 KWG A 486 -11.456 -34.349 -17.434 1.00 -0.08 C HETATM 3054 C14 KWG A 486 -10.617 -34.107 -16.354 1.00 0.03 C HETATM 3055 H9 KWG A 486 -10.282 -34.850 -15.632 1.00 0.08 H HETATM 3056 H5 KWG A 486 -11.909 -35.300 -17.710 1.00 0.03 H HETATM 3057 H4 KWG A 486 -12.180 -32.949 -18.997 1.00 0.03 H HETATM 3058 H3 KWG A 486 -10.784 -31.142 -17.611 1.00 0.08 H HETATM 3059 H6 KWG A 486 -9.750 -29.556 -13.271 1.00 0.06 H HETATM 3060 H7 KWG A 486 -7.400 -30.149 -12.893 1.00 0.06 H HETATM 3061 H8 KWG A 486 -6.408 -32.066 -14.118 1.00 0.06 H HETATM 3062 C18 KWG A 486 -5.252 -35.384 -17.979 1.00 -0.05 C HETATM 3063 C19 KWG A 486 -4.575 -36.467 -18.502 1.00 -0.06 C HETATM 3064 C20 KWG A 486 -4.884 -37.731 -18.058 1.00 -0.06 C HETATM 3065 C21 KWG A 486 -5.864 -37.952 -17.112 1.00 -0.06 C HETATM 3066 H12 KWG A 486 -6.102 -38.961 -16.794 1.00 0.06 H HETATM 3067 H2 KWG A 486 -4.342 -38.578 -18.463 1.00 0.06 H HETATM 3068 H11 KWG A 486 -3.808 -36.323 -19.255 1.00 0.06 H HETATM 3069 H10 KWG A 486 -5.031 -34.376 -18.310 1.00 0.06 H HETATM 3070 H1 KWG A 486 -7.297 -37.020 -15.820 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1304 1305 1311 1312 1313 CONECT 1311 1304 CONECT 1312 1304 CONECT 1313 1304 CONECT 3037 3038 3065 3070 CONECT 3038 3037 3039 3062 CONECT 3039 3038 3040 CONECT 3040 3039 3041 CONECT 3041 3040 3042 3049 CONECT 3042 3041 3043 3061 CONECT 3043 3042 3044 3060 CONECT 3044 3043 3045 3059 CONECT 3045 3044 3046 3049 CONECT 3046 3045 3047 3048 CONECT 3047 3046 CONECT 3048 3046 CONECT 3049 3041 3045 3050 CONECT 3050 3049 3051 3054 CONECT 3051 3050 3052 3058 CONECT 3052 3051 3053 3057 CONECT 3053 3052 3054 3056 CONECT 3054 3050 3053 3055 CONECT 3055 3054 CONECT 3056 3053 CONECT 3057 3052 CONECT 3058 3051 CONECT 3059 3044 CONECT 3060 3043 CONECT 3061 3042 CONECT 3062 3038 3063 3069 CONECT 3063 3062 3064 3068 CONECT 3064 3063 3065 3067 CONECT 3065 3037 3064 3066 CONECT 3066 3065 CONECT 3067 3064 CONECT 3068 3063 CONECT 3069 3062 CONECT 3070 3037 MASTER 0 0 0 0 0 0 0 0 3068 2 42 22 END
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Related entries of code: 6npp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6npm
RCSB PDB
PDBbind
141aa, >6NPM_1|Chains... at 98%
6npi
RCSB PDB
PDBbind
141aa, >6NPI_1|Chains... at 98%
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
6npp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Epstein-Barr Virus Nuclear Antigen-1, EBNA1
Ligand Name
KWG
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
IC50=0.89uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Sci Transl Med Vol. 11: pp. eaau5612
Ligand Properties
Formula
C
1
9
H
1
3
NO
2
Molecular Weight
287.312
Exact Mass
287.095
No. of atoms
35
No. of bonds
37
Polar Surface Area
42.23
LOGP Value
4.95 (
Computed with XLOGP3
)
3.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
OC(=O)c1cccc(c1n1cccc1)C#Cc1ccccc1
InChI String
InChI=1S/C19H13NO2/c21-19(22)17-10-6-9-16(18(17)20-13-4-5-14-20)12-11-15-7-2-1-3-8-15/h1-10,13-14H,(H,21,22)
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):
P03211
Entrez Gene ID
NCBI Entrez Gene ID:
3783709
3783774
ASD
Information of known allosteric effects of PDB entries
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