Browse entries in the PDBbind-CN Database
HEADER 6NPI_COMPLEX COMPND 6NPI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 140 HIS MET GLY GLN GLY GLY SER ASN PRO LYS PHE GLU ASN SEQRES 2 A 140 ILE ALA GLU GLY LEU ARG ALA LEU LEU ALA ARG SER HIS SEQRES 3 A 140 VAL GLU ARG THR THR ASP GLU GLY THR TRP VAL ALA GLY SEQRES 4 A 140 VAL PHE VAL TYR GLY GLY SER LYS THR SER LEU TYR ASN SEQRES 5 A 140 LEU ARG ARG GLY THR ALA LEU ALA ILE PRO GLN CYS ARG SEQRES 6 A 140 LEU THR PRO LEU SER ARG LEU PRO PHE GLY MET ALA PRO SEQRES 7 A 140 GLY PRO GLY PRO GLN PRO GLY PRO LEU ARG GLU SER ILE SEQRES 8 A 140 VAL CYS TYR PHE MET VAL PHE LEU GLN THR HIS ILE PHE SEQRES 9 A 140 ALA GLU VAL LEU LYS ASP ALA ILE LYS ASP LEU VAL MET SEQRES 10 A 140 THR LYS PRO ALA PRO THR CYS ASN ILE ARG VAL THR VAL SEQRES 11 A 140 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 MOL A 647 22 ATOM 1 N HIS A 468 -10.525 7.900 18.955 1.00 47.71 N ATOM 2 CA HIS A 468 -11.967 7.930 18.734 1.00 46.02 C ATOM 3 C HIS A 468 -12.711 7.036 19.715 1.00 43.32 C ATOM 4 O HIS A 468 -12.192 6.010 20.155 1.00 39.48 O ATOM 5 CB HIS A 468 -12.303 7.479 17.314 1.00 45.36 C ATOM 6 CG HIS A 468 -13.771 7.361 17.052 1.00 48.21 C ATOM 7 ND1 HIS A 468 -14.612 8.452 17.049 1.00 49.42 N ATOM 8 CD2 HIS A 468 -14.554 6.281 16.814 1.00 47.45 C ATOM 9 CE1 HIS A 468 -15.847 8.053 16.800 1.00 47.90 C ATOM 10 NE2 HIS A 468 -15.840 6.740 16.656 1.00 49.89 N ATOM 11 HN3 HIS A 468 -10.178 6.927 18.837 1.00 0.00 H ATOM 12 HN2 HIS A 468 -10.316 8.230 19.919 1.00 0.00 H ATOM 13 HN1 HIS A 468 -10.057 8.522 18.266 1.00 0.00 H ATOM 14 N MET A 469 -13.949 7.419 20.025 1.00 35.81 N ATOM 15 CA MET A 469 -14.776 6.708 20.992 1.00 30.36 C ATOM 16 C MET A 469 -16.198 6.639 20.454 1.00 25.05 C ATOM 17 O MET A 469 -16.827 7.672 20.225 1.00 28.22 O ATOM 18 CB MET A 469 -14.749 7.417 22.347 1.00 32.53 C ATOM 19 CG MET A 469 -15.192 6.583 23.519 1.00 40.77 C ATOM 20 SD MET A 469 -13.889 5.526 24.156 1.00 53.83 S ATOM 21 CE MET A 469 -14.219 4.038 23.222 1.00 43.70 C ATOM 22 H MET A 469 -14.342 8.261 19.557 1.00 0.00 H ATOM 23 N GLY A 470 -16.712 5.424 20.266 1.00 23.00 N ATOM 24 CA GLY A 470 -18.054 5.234 19.763 1.00 22.66 C ATOM 25 C GLY A 470 -19.106 5.506 20.819 1.00 22.42 C ATOM 26 O GLY A 470 -18.813 5.834 21.968 1.00 22.51 O ATOM 27 H GLY A 470 -16.132 4.590 20.487 1.00 0.00 H ATOM 28 N GLN A 471 -20.367 5.366 20.403 1.00 22.30 N ATOM 29 CA GLN A 471 -21.492 5.638 21.286 1.00 22.17 C ATOM 30 C GLN A 471 -21.395 4.764 22.528 1.00 21.71 C ATOM 31 O GLN A 471 -21.185 3.546 22.449 1.00 21.51 O ATOM 32 CB GLN A 471 -22.817 5.388 20.559 1.00 23.73 C ATOM 33 CG GLN A 471 -24.050 5.366 21.447 1.00 23.37 C ATOM 34 CD GLN A 471 -24.323 6.683 22.162 1.00 29.56 C ATOM 35 OE1 GLN A 471 -24.620 6.713 23.364 1.00 33.57 O ATOM 36 NE2 GLN A 471 -24.242 7.779 21.422 1.00 23.36 N ATOM 37 HE22 GLN A 471 -23.989 7.709 20.416 1.00 0.00 H ATOM 38 HE21 GLN A 471 -24.431 8.709 21.848 1.00 0.00 H ATOM 39 H GLN A 471 -20.549 5.056 19.427 1.00 0.00 H ATOM 40 N GLY A 472 -21.531 5.399 23.678 1.00 21.76 N ATOM 41 CA GLY A 472 -21.469 4.683 24.916 1.00 21.46 C ATOM 42 C GLY A 472 -20.079 4.320 25.373 1.00 21.75 C ATOM 43 O GLY A 472 -19.957 3.501 26.285 1.00 21.74 O ATOM 44 H GLY A 472 -21.684 6.428 23.684 1.00 0.00 H ATOM 45 N GLY A 473 -19.030 4.877 24.769 1.00 22.24 N ATOM 46 CA GLY A 473 -17.689 4.671 25.287 1.00 22.83 C ATOM 47 C GLY A 473 -17.024 3.383 24.853 1.00 22.89 C ATOM 48 O GLY A 473 -16.105 2.907 25.530 1.00 26.67 O ATOM 49 H GLY A 473 -19.172 5.463 23.922 1.00 0.00 H ATOM 50 N SER A 474 -17.471 2.829 23.748 1.00 22.51 N ATOM 51 CA SER A 474 -17.076 1.537 23.237 1.00 28.51 C ATOM 52 C SER A 474 -16.755 1.696 21.760 1.00 22.85 C ATOM 53 O SER A 474 -17.429 2.436 21.051 1.00 22.54 O ATOM 54 CB SER A 474 -18.221 0.536 23.364 1.00 27.59 C ATOM 55 OG SER A 474 -19.210 0.816 22.364 1.00 53.39 O ATOM 56 HG SER A 474 -18.801 0.739 21.466 1.00 0.00 H ATOM 57 H SER A 474 -18.168 3.367 23.195 1.00 0.00 H ATOM 58 N ASN A 475 -15.730 0.940 21.275 1.00 16.70 N ATOM 59 CA ASN A 475 -15.571 0.729 19.842 1.00 17.21 C ATOM 60 C ASN A 475 -15.766 -0.743 19.496 1.00 14.56 C ATOM 61 O ASN A 475 -15.489 -1.608 20.330 1.00 18.10 O ATOM 62 CB ASN A 475 -14.189 1.138 19.324 1.00 17.51 C ATOM 63 CG ASN A 475 -13.875 2.584 19.562 1.00 20.28 C ATOM 64 OD1 ASN A 475 -14.710 3.466 19.348 1.00 22.40 O ATOM 65 ND2 ASN A 475 -12.646 2.845 19.993 1.00 26.60 N ATOM 66 HD22 ASN A 475 -11.977 2.066 20.159 1.00 0.00 H ATOM 67 HD21 ASN A 475 -12.353 3.828 20.164 1.00 0.00 H ATOM 68 H ASN A 475 -15.053 0.508 21.936 1.00 0.00 H ATOM 69 N PRO A 476 -16.175 -1.072 18.259 1.00 16.09 N ATOM 70 CA PRO A 476 -16.184 -2.482 17.844 1.00 17.13 C ATOM 71 C PRO A 476 -14.793 -3.090 17.938 1.00 13.50 C ATOM 72 O PRO A 476 -13.776 -2.406 17.758 1.00 13.26 O ATOM 73 CB PRO A 476 -16.659 -2.438 16.382 1.00 20.29 C ATOM 74 CG PRO A 476 -17.192 -1.085 16.150 1.00 26.92 C ATOM 75 CD PRO A 476 -16.638 -0.162 17.199 1.00 15.82 C ATOM 76 N LYS A 477 -14.746 -4.403 18.199 1.00 14.36 N ATOM 77 CA LYS A 477 -13.462 -5.076 18.345 1.00 11.85 C ATOM 78 C LYS A 477 -12.585 -4.867 17.120 1.00 12.41 C ATOM 79 O LYS A 477 -11.374 -4.689 17.258 1.00 11.63 O ATOM 80 CB LYS A 477 -13.648 -6.573 18.625 1.00 18.38 C ATOM 81 CG LYS A 477 -13.958 -6.905 20.119 1.00 17.86 C ATOM 82 CD LYS A 477 -13.840 -8.418 20.354 1.00 26.11 C ATOM 83 CE LYS A 477 -14.243 -8.848 21.773 1.00 32.51 C ATOM 84 NZ LYS A 477 -15.002 -7.793 22.507 1.00 51.65 N ATOM 85 HZ1 LYS A 477 -14.414 -6.939 22.589 1.00 0.00 H ATOM 86 HZ2 LYS A 477 -15.873 -7.567 21.985 1.00 0.00 H ATOM 87 HZ3 LYS A 477 -15.246 -8.140 23.456 1.00 0.00 H ATOM 88 H LYS A 477 -15.629 -4.944 18.298 1.00 0.00 H ATOM 89 N PHE A 478 -13.163 -4.904 15.907 1.00 12.01 N ATOM 90 CA PHE A 478 -12.321 -4.782 14.712 1.00 11.38 C ATOM 91 C PHE A 478 -11.714 -3.392 14.595 1.00 11.83 C ATOM 92 O PHE A 478 -10.602 -3.239 14.060 1.00 10.93 O ATOM 93 CB PHE A 478 -13.092 -5.168 13.425 1.00 12.17 C ATOM 94 CG PHE A 478 -14.250 -4.280 13.092 1.00 15.31 C ATOM 95 CD1 PHE A 478 -14.063 -3.095 12.414 1.00 21.23 C ATOM 96 CD2 PHE A 478 -15.529 -4.633 13.468 1.00 20.46 C ATOM 97 CE1 PHE A 478 -15.143 -2.271 12.138 1.00 27.04 C ATOM 98 CE2 PHE A 478 -16.603 -3.810 13.194 1.00 30.31 C ATOM 99 CZ PHE A 478 -16.391 -2.626 12.541 1.00 20.14 C ATOM 100 H PHE A 478 -14.193 -5.018 15.817 1.00 0.00 H ATOM 101 N GLU A 479 -12.399 -2.365 15.106 1.00 11.78 N ATOM 102 CA GLU A 479 -11.820 -1.028 15.090 1.00 11.96 C ATOM 103 C GLU A 479 -10.662 -0.942 16.056 1.00 11.25 C ATOM 104 O GLU A 479 -9.643 -0.306 15.769 1.00 11.10 O ATOM 105 CB GLU A 479 -12.885 0.016 15.434 1.00 13.03 C ATOM 106 CG GLU A 479 -13.911 0.203 14.329 1.00 22.72 C ATOM 107 CD GLU A 479 -14.779 1.423 14.544 1.00 33.83 C ATOM 108 OE1 GLU A 479 -14.643 2.071 15.610 1.00 31.16 O ATOM 109 OE2 GLU A 479 -15.582 1.746 13.639 1.00 39.89 O ATOM 110 H GLU A 479 -13.343 -2.519 15.514 1.00 0.00 H ATOM 111 N ASN A 480 -10.806 -1.573 17.216 1.00 11.03 N ATOM 112 CA ASN A 480 -9.717 -1.566 18.181 1.00 10.62 C ATOM 113 C ASN A 480 -8.524 -2.368 17.672 1.00 10.80 C ATOM 114 O ASN A 480 -7.375 -1.977 17.914 1.00 11.17 O ATOM 115 CB ASN A 480 -10.228 -2.096 19.518 1.00 10.94 C ATOM 116 CG ASN A 480 -11.164 -1.134 20.204 1.00 11.88 C ATOM 117 OD1 ASN A 480 -11.115 0.083 19.991 1.00 12.73 O ATOM 118 ND2 ASN A 480 -12.032 -1.681 21.043 1.00 13.30 N ATOM 119 HD22 ASN A 480 -12.035 -2.711 21.190 1.00 0.00 H ATOM 120 HD21 ASN A 480 -12.710 -1.081 21.555 1.00 0.00 H ATOM 121 H ASN A 480 -11.693 -2.070 17.434 1.00 0.00 H ATOM 122 N ILE A 481 -8.770 -3.465 16.960 1.00 9.68 N ATOM 123 CA ILE A 481 -7.681 -4.178 16.300 1.00 9.36 C ATOM 124 C ILE A 481 -6.968 -3.262 15.308 1.00 9.44 C ATOM 125 O ILE A 481 -5.733 -3.195 15.278 1.00 9.70 O ATOM 126 CB ILE A 481 -8.212 -5.448 15.622 1.00 11.60 C ATOM 127 CG1 ILE A 481 -8.505 -6.465 16.715 1.00 17.57 C ATOM 128 CG2 ILE A 481 -7.199 -5.987 14.635 1.00 12.37 C ATOM 129 CD1 ILE A 481 -9.406 -7.551 16.341 1.00 18.00 C ATOM 130 H ILE A 481 -9.745 -3.817 16.873 1.00 0.00 H ATOM 131 N ALA A 482 -7.727 -2.552 14.470 1.00 9.73 N ATOM 132 CA ALA A 482 -7.104 -1.664 13.489 1.00 10.05 C ATOM 133 C ALA A 482 -6.201 -0.640 14.168 1.00 11.15 C ATOM 134 O ALA A 482 -5.093 -0.367 13.690 1.00 10.67 O ATOM 135 CB ALA A 482 -8.179 -0.960 12.666 1.00 11.02 C ATOM 136 H ALA A 482 -8.763 -2.631 14.515 1.00 0.00 H ATOM 137 N GLU A 483 -6.665 -0.042 15.259 1.00 10.40 N ATOM 138 CA GLU A 483 -5.853 0.948 15.957 1.00 11.25 C ATOM 139 C GLU A 483 -4.618 0.318 16.582 1.00 11.15 C ATOM 140 O GLU A 483 -3.531 0.912 16.546 1.00 11.23 O ATOM 141 CB GLU A 483 -6.708 1.652 17.000 1.00 13.88 C ATOM 142 CG GLU A 483 -7.505 2.813 16.429 1.00 23.96 C ATOM 143 CD GLU A 483 -6.610 3.939 15.945 1.00 36.94 C ATOM 144 OE1 GLU A 483 -5.995 4.641 16.784 1.00 46.83 O ATOM 145 OE2 GLU A 483 -6.523 4.117 14.721 1.00 32.98 O ATOM 146 H GLU A 483 -7.612 -0.281 15.617 1.00 0.00 H ATOM 147 N GLY A 484 -4.750 -0.880 17.149 1.00 10.63 N ATOM 148 CA GLY A 484 -3.595 -1.529 17.735 1.00 11.52 C ATOM 149 C GLY A 484 -2.561 -1.877 16.691 1.00 9.80 C ATOM 150 O GLY A 484 -1.355 -1.706 16.908 1.00 10.88 O ATOM 151 H GLY A 484 -5.679 -1.348 17.171 1.00 0.00 H ATOM 152 N LEU A 485 -3.020 -2.375 15.548 1.00 9.41 N ATOM 153 CA LEU A 485 -2.107 -2.675 14.453 1.00 8.50 C ATOM 154 C LEU A 485 -1.440 -1.408 13.946 1.00 11.27 C ATOM 155 O LEU A 485 -0.230 -1.393 13.699 1.00 11.80 O ATOM 156 CB LEU A 485 -2.852 -3.367 13.303 1.00 10.37 C ATOM 157 CG LEU A 485 -3.270 -4.821 13.519 1.00 11.41 C ATOM 158 CD1 LEU A 485 -4.069 -5.304 12.317 1.00 13.27 C ATOM 159 CD2 LEU A 485 -2.045 -5.714 13.736 1.00 12.53 C ATOM 160 H LEU A 485 -4.038 -2.552 15.434 1.00 0.00 H ATOM 161 N ARG A 486 -2.204 -0.329 13.788 1.00 10.80 N ATOM 162 CA ARG A 486 -1.598 0.909 13.312 1.00 11.46 C ATOM 163 C ARG A 486 -0.476 1.365 14.237 1.00 13.67 C ATOM 164 O ARG A 486 0.585 1.801 13.774 1.00 15.12 O ATOM 165 CB ARG A 486 -2.650 2.000 13.176 1.00 15.77 C ATOM 166 CG ARG A 486 -3.583 1.853 11.986 1.00 19.52 C ATOM 167 CD ARG A 486 -4.615 2.965 11.962 1.00 23.30 C ATOM 168 NE ARG A 486 -5.694 2.698 11.024 1.00 29.99 N ATOM 169 CZ ARG A 486 -6.981 2.652 11.344 1.00 27.12 C ATOM 170 NH1 ARG A 486 -7.386 2.862 12.589 1.00 27.78 N ATOM 171 NH2 ARG A 486 -7.875 2.416 10.402 1.00 26.81 N ATOM 172 HE ARG A 486 -5.438 2.531 10.030 1.00 0.00 H ATOM 173 HH12 ARG A 486 -8.399 2.822 12.820 1.00 0.00 H ATOM 174 HH11 ARG A 486 -6.690 3.067 13.334 1.00 0.00 H ATOM 175 HH22 ARG A 486 -8.886 2.378 10.642 1.00 0.00 H ATOM 176 HH21 ARG A 486 -7.568 2.268 9.419 1.00 0.00 H ATOM 177 H ARG A 486 -3.221 -0.369 14.002 1.00 0.00 H ATOM 178 N ALA A 487 -0.683 1.263 15.547 1.00 11.27 N ATOM 179 CA ALA A 487 0.345 1.681 16.492 1.00 12.22 C ATOM 180 C ALA A 487 1.589 0.809 16.389 1.00 11.22 C ATOM 181 O ALA A 487 2.722 1.320 16.386 1.00 13.71 O ATOM 182 CB ALA A 487 -0.214 1.655 17.911 1.00 12.84 C ATOM 183 H ALA A 487 -1.584 0.882 15.899 1.00 0.00 H ATOM 184 N LEU A 488 1.411 -0.504 16.311 1.00 10.02 N ATOM 185 CA LEU A 488 2.579 -1.366 16.207 1.00 9.03 C ATOM 186 C LEU A 488 3.309 -1.150 14.893 1.00 11.21 C ATOM 187 O LEU A 488 4.551 -1.098 14.862 1.00 12.43 O ATOM 188 CB LEU A 488 2.160 -2.824 16.349 1.00 11.17 C ATOM 189 CG LEU A 488 1.693 -3.207 17.755 1.00 10.50 C ATOM 190 CD1 LEU A 488 0.984 -4.571 17.791 1.00 13.23 C ATOM 191 CD2 LEU A 488 2.847 -3.177 18.735 1.00 14.97 C ATOM 192 H LEU A 488 0.454 -0.910 16.324 1.00 0.00 H ATOM 193 N LEU A 489 2.572 -1.045 13.790 1.00 10.78 N ATOM 194 CA LEU A 489 3.206 -0.917 12.478 1.00 9.60 C ATOM 195 C LEU A 489 3.916 0.421 12.333 1.00 13.27 C ATOM 196 O LEU A 489 4.877 0.519 11.562 1.00 14.53 O ATOM 197 CB LEU A 489 2.172 -1.099 11.355 1.00 11.61 C ATOM 198 CG LEU A 489 1.528 -2.490 11.326 1.00 14.20 C ATOM 199 CD1 LEU A 489 0.370 -2.480 10.341 1.00 15.03 C ATOM 200 CD2 LEU A 489 2.521 -3.608 10.980 1.00 14.78 C ATOM 201 H LEU A 489 1.535 -1.054 13.862 1.00 0.00 H ATOM 202 N ALA A 490 3.472 1.458 13.054 1.00 12.30 N ATOM 203 CA ALA A 490 4.137 2.754 12.976 1.00 12.64 C ATOM 204 C ALA A 490 5.576 2.678 13.462 1.00 14.99 C ATOM 205 O ALA A 490 6.376 3.570 13.160 1.00 19.25 O ATOM 206 CB ALA A 490 3.386 3.792 13.794 1.00 16.68 C ATOM 207 H ALA A 490 2.646 1.339 13.675 1.00 0.00 H ATOM 208 N ARG A 491 5.933 1.624 14.190 1.00 13.55 N ATOM 209 CA ARG A 491 7.313 1.455 14.626 1.00 17.46 C ATOM 210 C ARG A 491 8.256 1.053 13.494 1.00 17.00 C ATOM 211 O ARG A 491 9.484 1.175 13.648 1.00 19.73 O ATOM 212 CB ARG A 491 7.377 0.405 15.724 1.00 15.09 C ATOM 213 CG ARG A 491 6.593 0.724 16.983 1.00 14.04 C ATOM 214 CD ARG A 491 6.564 -0.479 17.909 1.00 14.98 C ATOM 215 NE ARG A 491 6.032 -0.142 19.217 1.00 16.13 N ATOM 216 CZ ARG A 491 5.874 -1.002 20.220 1.00 19.25 C ATOM 217 NH1 ARG A 491 6.192 -2.279 20.064 1.00 19.16 N ATOM 218 NH2 ARG A 491 5.403 -0.585 21.385 1.00 19.64 N ATOM 219 HE ARG A 491 5.753 0.846 19.383 1.00 0.00 H ATOM 220 HH12 ARG A 491 6.066 -2.946 20.852 1.00 0.00 H ATOM 221 HH11 ARG A 491 6.567 -2.614 19.154 1.00 0.00 H ATOM 222 HH22 ARG A 491 5.280 -1.259 22.168 1.00 0.00 H ATOM 223 HH21 ARG A 491 5.156 0.416 21.518 1.00 0.00 H ATOM 224 H ARG A 491 5.220 0.913 14.451 1.00 0.00 H ATOM 225 N SER A 492 7.727 0.564 12.376 1.00 13.82 N ATOM 226 CA SER A 492 8.540 -0.024 11.309 1.00 13.55 C ATOM 227 C SER A 492 8.314 0.698 9.986 1.00 17.24 C ATOM 228 O SER A 492 7.278 0.508 9.332 1.00 23.38 O ATOM 229 CB SER A 492 8.201 -1.504 11.153 1.00 17.07 C ATOM 230 OG SER A 492 8.483 -2.243 12.332 1.00 20.66 O ATOM 231 HG SER A 492 7.949 -1.881 13.083 1.00 0.00 H ATOM 232 H SER A 492 6.695 0.601 12.255 1.00 0.00 H ATOM 233 N HIS A 493 9.326 1.430 9.533 1.00 15.30 N ATOM 234 CA HIS A 493 9.226 2.252 8.324 1.00 17.14 C ATOM 235 C HIS A 493 9.765 1.467 7.132 1.00 14.71 C ATOM 236 O HIS A 493 10.800 1.784 6.544 1.00 19.45 O ATOM 237 CB HIS A 493 10.004 3.548 8.492 1.00 17.19 C ATOM 238 CG HIS A 493 9.579 4.387 9.655 1.00 25.47 C ATOM 239 ND1 HIS A 493 10.271 5.519 10.028 1.00 33.66 N ATOM 240 CD2 HIS A 493 8.529 4.286 10.506 1.00 35.62 C ATOM 241 CE1 HIS A 493 9.678 6.070 11.072 1.00 41.47 C ATOM 242 NE2 HIS A 493 8.610 5.351 11.372 1.00 27.40 N ATOM 243 H HIS A 493 10.224 1.419 10.057 1.00 0.00 H ATOM 244 N VAL A 494 9.047 0.414 6.787 1.00 14.75 N ATOM 245 CA VAL A 494 9.496 -0.503 5.758 1.00 14.46 C ATOM 246 C VAL A 494 8.609 -0.371 4.530 1.00 13.89 C ATOM 247 O VAL A 494 7.457 0.076 4.595 1.00 14.23 O ATOM 248 CB VAL A 494 9.545 -1.960 6.273 1.00 13.66 C ATOM 249 CG1 VAL A 494 10.377 -2.042 7.545 1.00 13.29 C ATOM 250 CG2 VAL A 494 8.151 -2.555 6.475 1.00 14.06 C ATOM 251 H VAL A 494 8.140 0.239 7.264 1.00 0.00 H ATOM 252 N GLU A 495 9.172 -0.746 3.388 1.00 13.69 N ATOM 253 CA GLU A 495 8.423 -0.693 2.147 1.00 13.88 C ATOM 254 C GLU A 495 7.267 -1.676 2.190 1.00 13.69 C ATOM 255 O GLU A 495 7.412 -2.822 2.638 1.00 12.48 O ATOM 256 CB GLU A 495 9.322 -1.014 0.953 1.00 17.38 C ATOM 257 CG GLU A 495 10.063 -2.340 1.051 1.00 22.64 C ATOM 258 CD GLU A 495 11.488 -2.180 1.575 1.00 23.95 C ATOM 259 OE1 GLU A 495 11.662 -1.442 2.565 1.00 17.73 O ATOM 260 OE2 GLU A 495 12.420 -2.792 1.002 1.00 22.47 O ATOM 261 H GLU A 495 10.157 -1.080 3.383 1.00 0.00 H ATOM 262 N ARG A 496 6.111 -1.221 1.709 1.00 13.27 N ATOM 263 CA ARG A 496 4.929 -2.049 1.590 1.00 11.22 C ATOM 264 C ARG A 496 4.573 -2.363 0.151 1.00 11.75 C ATOM 265 O ARG A 496 3.712 -3.212 -0.075 1.00 13.31 O ATOM 266 CB ARG A 496 3.711 -1.351 2.227 1.00 11.54 C ATOM 267 CG ARG A 496 3.887 -1.000 3.701 1.00 12.65 C ATOM 268 CD ARG A 496 2.624 -0.387 4.276 1.00 13.20 C ATOM 269 NE ARG A 496 2.785 -0.121 5.703 1.00 14.09 N ATOM 270 CZ ARG A 496 1.789 0.134 6.538 1.00 14.19 C ATOM 271 NH1 ARG A 496 0.540 0.196 6.109 1.00 14.93 N ATOM 272 NH2 ARG A 496 2.056 0.337 7.821 1.00 16.95 N ATOM 273 HE ARG A 496 3.750 -0.133 6.091 1.00 0.00 H ATOM 274 HH12 ARG A 496 -0.230 0.397 6.778 1.00 0.00 H ATOM 275 HH11 ARG A 496 0.328 0.043 5.102 1.00 0.00 H ATOM 276 HH22 ARG A 496 1.283 0.538 8.487 1.00 0.00 H ATOM 277 HH21 ARG A 496 3.038 0.295 8.161 1.00 0.00 H ATOM 278 H ARG A 496 6.055 -0.228 1.406 1.00 0.00 H ATOM 279 N THR A 497 5.163 -1.666 -0.806 1.00 13.13 N ATOM 280 CA THR A 497 4.857 -1.841 -2.215 1.00 13.90 C ATOM 281 C THR A 497 6.161 -1.866 -2.986 1.00 15.77 C ATOM 282 O THR A 497 7.205 -1.428 -2.491 1.00 16.71 O ATOM 283 CB THR A 497 3.958 -0.718 -2.750 1.00 15.12 C ATOM 284 OG1 THR A 497 4.637 0.527 -2.605 1.00 21.61 O ATOM 285 CG2 THR A 497 2.653 -0.687 -1.958 1.00 26.04 C ATOM 286 HG1 THR A 497 5.483 0.502 -3.119 1.00 0.00 H ATOM 287 H THR A 497 5.878 -0.961 -0.537 1.00 0.00 H ATOM 288 N THR A 498 6.093 -2.381 -4.213 1.00 15.60 N ATOM 289 CA THR A 498 7.229 -2.390 -5.129 1.00 17.09 C ATOM 290 C THR A 498 6.795 -1.810 -6.466 1.00 19.71 C ATOM 291 O THR A 498 5.605 -1.777 -6.789 1.00 19.25 O ATOM 292 CB THR A 498 7.782 -3.793 -5.382 1.00 17.83 C ATOM 293 OG1 THR A 498 6.778 -4.581 -6.038 1.00 18.32 O ATOM 294 CG2 THR A 498 8.194 -4.467 -4.089 1.00 21.00 C ATOM 295 HG1 THR A 498 7.131 -5.491 -6.204 1.00 0.00 H ATOM 296 H THR A 498 5.193 -2.794 -4.531 1.00 0.00 H ATOM 297 N ASP A 499 7.781 -1.380 -7.259 1.00 22.99 N ATOM 298 CA ASP A 499 7.491 -0.980 -8.636 1.00 22.26 C ATOM 299 C ASP A 499 6.871 -2.122 -9.428 1.00 26.16 C ATOM 300 O ASP A 499 5.997 -1.889 -10.276 1.00 26.58 O ATOM 301 CB ASP A 499 8.745 -0.493 -9.367 1.00 32.88 C ATOM 302 CG ASP A 499 9.318 0.775 -8.780 1.00 45.95 C ATOM 303 OD1 ASP A 499 8.595 1.487 -8.051 1.00 39.79 O ATOM 304 OD2 ASP A 499 10.500 1.068 -9.069 1.00 48.66 O ATOM 305 H ASP A 499 8.755 -1.330 -6.897 1.00 0.00 H ATOM 306 N GLU A 500 7.327 -3.352 -9.183 1.00 20.47 N ATOM 307 CA GLU A 500 6.804 -4.505 -9.909 1.00 22.74 C ATOM 308 C GLU A 500 5.345 -4.765 -9.547 1.00 18.73 C ATOM 309 O GLU A 500 4.572 -5.237 -10.390 1.00 19.74 O ATOM 310 CB GLU A 500 7.647 -5.738 -9.599 1.00 29.70 C ATOM 311 CG GLU A 500 9.147 -5.492 -9.697 1.00 48.49 C ATOM 312 CD GLU A 500 9.771 -5.041 -8.386 1.00 42.25 C ATOM 313 OE1 GLU A 500 10.015 -5.894 -7.498 1.00 49.98 O ATOM 314 OE2 GLU A 500 10.032 -3.824 -8.250 1.00 45.05 O ATOM 315 H GLU A 500 8.066 -3.491 -8.464 1.00 0.00 H ATOM 316 N GLY A 501 4.943 -4.451 -8.311 1.00 17.45 N ATOM 317 CA GLY A 501 3.557 -4.579 -7.895 1.00 17.32 C ATOM 318 C GLY A 501 3.094 -5.996 -7.722 1.00 17.45 C ATOM 319 O GLY A 501 1.887 -6.235 -7.618 1.00 22.32 O ATOM 320 H GLY A 501 5.645 -4.104 -7.626 1.00 0.00 H ATOM 321 N THR A 502 4.013 -6.941 -7.668 1.00 13.61 N ATOM 322 CA THR A 502 3.662 -8.351 -7.613 1.00 14.81 C ATOM 323 C THR A 502 3.426 -8.816 -6.178 1.00 11.67 C ATOM 324 O THR A 502 4.028 -8.325 -5.217 1.00 13.52 O ATOM 325 CB THR A 502 4.759 -9.184 -8.264 1.00 16.03 C ATOM 326 OG1 THR A 502 6.008 -8.804 -7.700 1.00 19.23 O ATOM 327 CG2 THR A 502 4.814 -8.959 -9.794 1.00 17.23 C ATOM 328 HG1 THR A 502 6.732 -9.338 -8.114 1.00 0.00 H ATOM 329 H THR A 502 5.017 -6.670 -7.665 1.00 0.00 H ATOM 330 N TRP A 503 2.516 -9.777 -6.044 1.00 10.34 N ATOM 331 CA TRP A 503 2.076 -10.291 -4.755 1.00 8.74 C ATOM 332 C TRP A 503 2.922 -11.519 -4.464 1.00 11.00 C ATOM 333 O TRP A 503 2.580 -12.639 -4.851 1.00 13.11 O ATOM 334 CB TRP A 503 0.581 -10.582 -4.782 1.00 9.12 C ATOM 335 CG TRP A 503 -0.200 -9.355 -5.170 1.00 8.41 C ATOM 336 CD1 TRP A 503 -0.659 -9.029 -6.417 1.00 9.61 C ATOM 337 CD2 TRP A 503 -0.565 -8.252 -4.317 1.00 8.45 C ATOM 338 NE1 TRP A 503 -1.275 -7.799 -6.396 1.00 12.38 N ATOM 339 CE2 TRP A 503 -1.243 -7.311 -5.118 1.00 10.55 C ATOM 340 CE3 TRP A 503 -0.382 -7.970 -2.957 1.00 8.21 C ATOM 341 CZ2 TRP A 503 -1.753 -6.121 -4.602 1.00 10.37 C ATOM 342 CZ3 TRP A 503 -0.883 -6.772 -2.457 1.00 8.30 C ATOM 343 CH2 TRP A 503 -1.572 -5.875 -3.272 1.00 9.91 C ATOM 344 HE1 TRP A 503 -1.696 -7.319 -7.217 1.00 0.00 H ATOM 345 H TRP A 503 2.097 -10.182 -6.905 1.00 0.00 H ATOM 346 N VAL A 504 4.033 -11.297 -3.768 1.00 9.30 N ATOM 347 CA VAL A 504 5.056 -12.322 -3.592 1.00 10.18 C ATOM 348 C VAL A 504 5.164 -12.814 -2.170 1.00 8.83 C ATOM 349 O VAL A 504 5.894 -13.789 -1.910 1.00 9.09 O ATOM 350 CB VAL A 504 6.433 -11.824 -4.068 1.00 12.28 C ATOM 351 CG1 VAL A 504 6.433 -11.521 -5.563 1.00 16.48 C ATOM 352 CG2 VAL A 504 6.884 -10.625 -3.292 1.00 14.11 C ATOM 353 H VAL A 504 4.177 -10.362 -3.335 1.00 0.00 H ATOM 354 N ALA A 505 4.508 -12.154 -1.233 1.00 7.99 N ATOM 355 CA ALA A 505 4.621 -12.474 0.176 1.00 7.89 C ATOM 356 C ALA A 505 3.241 -12.542 0.782 1.00 8.02 C ATOM 357 O ALA A 505 2.261 -12.082 0.205 1.00 8.60 O ATOM 358 CB ALA A 505 5.479 -11.437 0.913 1.00 10.45 C ATOM 359 H ALA A 505 3.884 -11.372 -1.518 1.00 0.00 H ATOM 360 N GLY A 506 3.183 -13.089 1.986 1.00 10.04 N ATOM 361 CA GLY A 506 1.908 -13.084 2.664 1.00 10.53 C ATOM 362 C GLY A 506 2.075 -13.402 4.119 1.00 7.45 C ATOM 363 O GLY A 506 3.176 -13.655 4.615 1.00 8.28 O ATOM 364 H GLY A 506 4.026 -13.508 2.428 1.00 0.00 H ATOM 365 N VAL A 507 0.966 -13.300 4.844 1.00 6.79 N ATOM 366 CA VAL A 507 0.877 -13.857 6.183 1.00 7.92 C ATOM 367 C VAL A 507 -0.336 -14.766 6.196 1.00 6.36 C ATOM 368 O VAL A 507 -1.347 -14.484 5.543 1.00 9.64 O ATOM 369 CB VAL A 507 0.818 -12.779 7.290 1.00 11.24 C ATOM 370 CG1 VAL A 507 1.922 -11.740 7.023 1.00 12.48 C ATOM 371 CG2 VAL A 507 -0.540 -12.139 7.382 1.00 13.36 C ATOM 372 H VAL A 507 0.141 -12.809 4.443 1.00 0.00 H ATOM 373 N PHE A 508 -0.191 -15.882 6.873 1.00 7.08 N ATOM 374 CA PHE A 508 -1.180 -16.942 6.962 1.00 6.49 C ATOM 375 C PHE A 508 -1.630 -16.994 8.409 1.00 7.61 C ATOM 376 O PHE A 508 -0.805 -17.218 9.289 1.00 7.47 O ATOM 377 CB PHE A 508 -0.561 -18.265 6.496 1.00 8.05 C ATOM 378 CG PHE A 508 -1.557 -19.373 6.327 1.00 8.32 C ATOM 379 CD1 PHE A 508 -2.102 -19.640 5.094 1.00 9.50 C ATOM 380 CD2 PHE A 508 -1.944 -20.150 7.397 1.00 9.56 C ATOM 381 CE1 PHE A 508 -3.013 -20.667 4.924 1.00 9.77 C ATOM 382 CE2 PHE A 508 -2.880 -21.180 7.227 1.00 10.33 C ATOM 383 CZ PHE A 508 -3.408 -21.414 6.005 1.00 9.44 C ATOM 384 H PHE A 508 0.703 -16.018 7.386 1.00 0.00 H ATOM 385 N VAL A 509 -2.915 -16.702 8.656 1.00 6.78 N ATOM 386 CA VAL A 509 -3.448 -16.424 9.989 1.00 7.20 C ATOM 387 C VAL A 509 -4.517 -17.460 10.291 1.00 6.84 C ATOM 388 O VAL A 509 -5.382 -17.705 9.446 1.00 7.46 O ATOM 389 CB VAL A 509 -4.043 -15.006 10.068 1.00 6.89 C ATOM 390 CG1 VAL A 509 -4.463 -14.701 11.477 1.00 9.06 C ATOM 391 CG2 VAL A 509 -3.044 -13.959 9.545 1.00 9.31 C ATOM 392 H VAL A 509 -3.573 -16.671 7.851 1.00 0.00 H ATOM 393 N TYR A 510 -4.435 -18.117 11.448 1.00 6.57 N ATOM 394 CA TYR A 510 -5.335 -19.237 11.670 1.00 7.22 C ATOM 395 C TYR A 510 -5.542 -19.482 13.159 1.00 7.77 C ATOM 396 O TYR A 510 -4.820 -18.958 14.011 1.00 8.79 O ATOM 397 CB TYR A 510 -4.823 -20.494 10.952 1.00 7.51 C ATOM 398 CG TYR A 510 -3.483 -21.038 11.408 1.00 7.25 C ATOM 399 CD1 TYR A 510 -2.297 -20.417 11.048 1.00 7.37 C ATOM 400 CD2 TYR A 510 -3.412 -22.166 12.207 1.00 8.08 C ATOM 401 CE1 TYR A 510 -1.071 -20.923 11.481 1.00 7.51 C ATOM 402 CE2 TYR A 510 -2.193 -22.676 12.647 1.00 9.35 C ATOM 403 CZ TYR A 510 -1.027 -22.049 12.273 1.00 9.63 C ATOM 404 OH TYR A 510 0.193 -22.572 12.687 1.00 10.17 O ATOM 405 HH TYR A 510 0.928 -22.009 12.337 1.00 0.00 H ATOM 406 H TYR A 510 -3.745 -17.836 12.173 1.00 0.00 H ATOM 407 N GLY A 511 -6.509 -20.330 13.467 1.00 9.42 N ATOM 408 CA GLY A 511 -6.785 -20.647 14.853 1.00 9.19 C ATOM 409 C GLY A 511 -7.681 -19.630 15.536 1.00 10.71 C ATOM 410 O GLY A 511 -8.390 -18.847 14.904 1.00 13.64 O ATOM 411 H GLY A 511 -7.073 -20.770 12.712 1.00 0.00 H ATOM 412 N GLY A 512 -7.669 -19.668 16.866 1.00 12.19 N ATOM 413 CA GLY A 512 -8.541 -18.793 17.622 1.00 13.12 C ATOM 414 C GLY A 512 -9.969 -19.285 17.622 1.00 18.18 C ATOM 415 O GLY A 512 -10.314 -20.251 18.308 1.00 28.90 O ATOM 416 H GLY A 512 -7.034 -20.325 17.362 1.00 0.00 H ATOM 417 N SER A 513 -10.800 -18.601 16.861 1.00 15.28 N ATOM 418 CA SER A 513 -12.206 -18.921 16.667 1.00 14.79 C ATOM 419 C SER A 513 -12.620 -18.160 15.427 1.00 13.62 C ATOM 420 O SER A 513 -11.928 -17.232 14.991 1.00 13.49 O ATOM 421 CB SER A 513 -13.069 -18.496 17.854 1.00 18.18 C ATOM 422 OG SER A 513 -13.129 -17.075 17.934 1.00 17.05 O ATOM 423 HG SER A 513 -13.690 -16.813 18.706 1.00 0.00 H ATOM 424 H SER A 513 -10.422 -17.770 16.362 1.00 0.00 H ATOM 425 N LYS A 514 -13.744 -18.555 14.839 1.00 14.46 N ATOM 426 CA LYS A 514 -14.194 -17.827 13.660 1.00 14.17 C ATOM 427 C LYS A 514 -14.426 -16.350 13.981 1.00 13.61 C ATOM 428 O LYS A 514 -14.032 -15.473 13.204 1.00 12.22 O ATOM 429 CB LYS A 514 -15.455 -18.457 13.077 1.00 15.96 C ATOM 430 CG LYS A 514 -15.705 -17.974 11.666 1.00 18.98 C ATOM 431 CD LYS A 514 -16.853 -18.718 11.028 1.00 25.37 C ATOM 432 CE LYS A 514 -17.196 -18.100 9.683 1.00 43.81 C ATOM 433 NZ LYS A 514 -17.369 -19.136 8.636 1.00 51.98 N ATOM 434 HZ1 LYS A 514 -16.486 -19.676 8.535 1.00 0.00 H ATOM 435 HZ2 LYS A 514 -18.140 -19.778 8.910 1.00 0.00 H ATOM 436 HZ3 LYS A 514 -17.602 -18.678 7.732 1.00 0.00 H ATOM 437 H LYS A 514 -14.287 -19.361 15.210 1.00 0.00 H ATOM 438 N THR A 515 -15.024 -16.050 15.132 1.00 13.63 N ATOM 439 CA THR A 515 -15.308 -14.659 15.463 1.00 13.69 C ATOM 440 C THR A 515 -14.030 -13.861 15.693 1.00 12.19 C ATOM 441 O THR A 515 -13.918 -12.717 15.235 1.00 11.32 O ATOM 442 CB THR A 515 -16.219 -14.586 16.676 1.00 16.90 C ATOM 443 OG1 THR A 515 -17.482 -15.179 16.332 1.00 20.90 O ATOM 444 CG2 THR A 515 -16.417 -13.139 17.082 1.00 17.65 C ATOM 445 HG1 THR A 515 -17.341 -16.123 16.070 1.00 0.00 H ATOM 446 H THR A 515 -15.288 -16.807 15.794 1.00 0.00 H ATOM 447 N SER A 516 -13.041 -14.439 16.370 1.00 11.29 N ATOM 448 CA SER A 516 -11.811 -13.691 16.604 1.00 10.31 C ATOM 449 C SER A 516 -11.069 -13.441 15.301 1.00 10.06 C ATOM 450 O SER A 516 -10.532 -12.344 15.083 1.00 11.53 O ATOM 451 CB SER A 516 -10.923 -14.411 17.620 1.00 15.70 C ATOM 452 OG SER A 516 -10.559 -15.699 17.230 1.00 17.69 O ATOM 453 HG SER A 516 -11.374 -16.248 17.107 1.00 0.00 H ATOM 454 H SER A 516 -13.144 -15.410 16.727 1.00 0.00 H ATOM 455 N LEU A 517 -11.045 -14.431 14.399 1.00 10.00 N ATOM 456 CA LEU A 517 -10.422 -14.211 13.095 1.00 9.15 C ATOM 457 C LEU A 517 -11.204 -13.209 12.268 1.00 8.33 C ATOM 458 O LEU A 517 -10.613 -12.445 11.499 1.00 9.28 O ATOM 459 CB LEU A 517 -10.311 -15.523 12.326 1.00 8.83 C ATOM 460 CG LEU A 517 -9.253 -16.507 12.816 1.00 11.05 C ATOM 461 CD1 LEU A 517 -9.444 -17.842 12.056 1.00 17.42 C ATOM 462 CD2 LEU A 517 -7.846 -16.000 12.636 1.00 11.79 C ATOM 463 H LEU A 517 -11.468 -15.353 14.626 1.00 0.00 H ATOM 464 N TYR A 518 -12.534 -13.255 12.350 1.00 9.58 N ATOM 465 CA TYR A 518 -13.372 -12.281 11.667 1.00 9.71 C ATOM 466 C TYR A 518 -12.955 -10.870 12.059 1.00 10.18 C ATOM 467 O TYR A 518 -12.778 -9.991 11.215 1.00 10.55 O ATOM 468 CB TYR A 518 -14.850 -12.543 12.016 1.00 12.31 C ATOM 469 CG TYR A 518 -15.794 -11.459 11.575 1.00 15.63 C ATOM 470 CD1 TYR A 518 -16.401 -11.521 10.341 1.00 17.16 C ATOM 471 CD2 TYR A 518 -16.075 -10.382 12.389 1.00 18.18 C ATOM 472 CE1 TYR A 518 -17.262 -10.540 9.923 1.00 19.24 C ATOM 473 CE2 TYR A 518 -16.957 -9.379 11.980 1.00 25.78 C ATOM 474 CZ TYR A 518 -17.535 -9.473 10.740 1.00 27.39 C ATOM 475 OH TYR A 518 -18.398 -8.492 10.297 1.00 36.58 O ATOM 476 HH TYR A 518 -18.718 -8.721 9.389 1.00 0.00 H ATOM 477 H TYR A 518 -12.983 -14.004 12.915 1.00 0.00 H ATOM 478 N ASN A 519 -12.798 -10.638 13.349 1.00 9.60 N ATOM 479 CA ASN A 519 -12.464 -9.299 13.812 1.00 10.09 C ATOM 480 C ASN A 519 -11.056 -8.913 13.395 1.00 8.88 C ATOM 481 O ASN A 519 -10.805 -7.758 13.025 1.00 9.67 O ATOM 482 CB ASN A 519 -12.597 -9.223 15.337 1.00 11.53 C ATOM 483 CG ASN A 519 -14.027 -9.215 15.802 1.00 14.78 C ATOM 484 OD1 ASN A 519 -14.883 -8.681 15.133 1.00 18.34 O ATOM 485 ND2 ASN A 519 -14.278 -9.813 16.952 1.00 22.61 N ATOM 486 HD22 ASN A 519 -13.504 -10.257 17.487 1.00 0.00 H ATOM 487 HD21 ASN A 519 -15.249 -9.840 17.323 1.00 0.00 H ATOM 488 H ASN A 519 -12.913 -11.412 14.034 1.00 0.00 H ATOM 489 N LEU A 520 -10.127 -9.862 13.449 1.00 8.82 N ATOM 490 CA LEU A 520 -8.748 -9.585 13.049 1.00 8.07 C ATOM 491 C LEU A 520 -8.657 -9.278 11.562 1.00 9.75 C ATOM 492 O LEU A 520 -7.960 -8.336 11.168 1.00 10.00 O ATOM 493 CB LEU A 520 -7.861 -10.760 13.445 1.00 9.13 C ATOM 494 CG LEU A 520 -6.380 -10.600 13.098 1.00 9.95 C ATOM 495 CD1 LEU A 520 -5.763 -9.369 13.744 1.00 12.37 C ATOM 496 CD2 LEU A 520 -5.605 -11.872 13.529 1.00 11.29 C ATOM 497 H LEU A 520 -10.384 -10.814 13.780 1.00 0.00 H ATOM 498 N ARG A 521 -9.379 -10.041 10.733 1.00 8.35 N ATOM 499 CA ARG A 521 -9.397 -9.803 9.299 1.00 7.70 C ATOM 500 C ARG A 521 -9.950 -8.411 8.988 1.00 9.54 C ATOM 501 O ARG A 521 -9.349 -7.662 8.216 1.00 9.38 O ATOM 502 CB ARG A 521 -10.216 -10.900 8.619 1.00 8.38 C ATOM 503 CG ARG A 521 -10.443 -10.734 7.137 1.00 8.89 C ATOM 504 CD ARG A 521 -11.168 -11.953 6.594 1.00 9.13 C ATOM 505 NE ARG A 521 -11.590 -11.781 5.214 1.00 8.69 N ATOM 506 CZ ARG A 521 -12.716 -11.189 4.830 1.00 9.54 C ATOM 507 NH1 ARG A 521 -13.565 -10.682 5.718 1.00 11.63 N ATOM 508 NH2 ARG A 521 -12.973 -11.097 3.528 1.00 11.49 N ATOM 509 HE ARG A 521 -10.963 -12.149 4.470 1.00 0.00 H ATOM 510 HH12 ARG A 521 -14.441 -10.223 5.397 1.00 0.00 H ATOM 511 HH11 ARG A 521 -13.353 -10.745 6.734 1.00 0.00 H ATOM 512 HH22 ARG A 521 -13.847 -10.638 3.202 1.00 0.00 H ATOM 513 HH21 ARG A 521 -12.299 -11.484 2.836 1.00 0.00 H ATOM 514 H ARG A 521 -9.941 -10.824 11.124 1.00 0.00 H ATOM 515 N ARG A 522 -11.094 -8.071 9.576 1.00 9.07 N ATOM 516 CA ARG A 522 -11.683 -6.755 9.327 1.00 9.99 C ATOM 517 C ARG A 522 -10.744 -5.652 9.795 1.00 11.17 C ATOM 518 O ARG A 522 -10.549 -4.649 9.100 1.00 12.27 O ATOM 519 CB ARG A 522 -13.031 -6.628 10.038 1.00 11.80 C ATOM 520 CG ARG A 522 -14.236 -7.159 9.268 1.00 16.96 C ATOM 521 CD ARG A 522 -15.536 -6.655 9.918 1.00 19.10 C ATOM 522 NE ARG A 522 -15.871 -5.306 9.464 1.00 23.86 N ATOM 523 CZ ARG A 522 -16.992 -4.661 9.769 1.00 20.14 C ATOM 524 NH1 ARG A 522 -17.899 -5.232 10.546 1.00 25.45 N ATOM 525 NH2 ARG A 522 -17.200 -3.436 9.297 1.00 24.00 N ATOM 526 HE ARG A 522 -15.182 -4.816 8.859 1.00 0.00 H ATOM 527 HH12 ARG A 522 -18.775 -4.724 10.783 1.00 0.00 H ATOM 528 HH11 ARG A 522 -17.735 -6.189 10.920 1.00 0.00 H ATOM 529 HH22 ARG A 522 -18.077 -2.929 9.534 1.00 0.00 H ATOM 530 HH21 ARG A 522 -16.486 -2.984 8.690 1.00 0.00 H ATOM 531 H ARG A 522 -11.570 -8.741 10.213 1.00 0.00 H ATOM 532 N GLY A 523 -10.125 -5.828 10.960 1.00 8.96 N ATOM 533 CA GLY A 523 -9.233 -4.800 11.466 1.00 10.60 C ATOM 534 C GLY A 523 -7.966 -4.655 10.647 1.00 10.35 C ATOM 535 O GLY A 523 -7.453 -3.547 10.463 1.00 11.15 O ATOM 536 H GLY A 523 -10.280 -6.699 11.506 1.00 0.00 H ATOM 537 N THR A 524 -7.436 -5.768 10.150 1.00 9.18 N ATOM 538 CA THR A 524 -6.258 -5.715 9.282 1.00 8.89 C ATOM 539 C THR A 524 -6.559 -4.925 8.018 1.00 9.62 C ATOM 540 O THR A 524 -5.768 -4.072 7.589 1.00 10.08 O ATOM 541 CB THR A 524 -5.804 -7.137 8.939 1.00 9.13 C ATOM 542 OG1 THR A 524 -5.416 -7.829 10.137 1.00 9.93 O ATOM 543 CG2 THR A 524 -4.610 -7.114 7.988 1.00 9.22 C ATOM 544 HG1 THR A 524 -6.187 -7.872 10.756 1.00 0.00 H ATOM 545 H THR A 524 -7.863 -6.688 10.380 1.00 0.00 H ATOM 546 N ALA A 525 -7.713 -5.190 7.399 1.00 10.98 N ATOM 547 CA ALA A 525 -8.103 -4.449 6.209 1.00 9.35 C ATOM 548 C ALA A 525 -8.158 -2.958 6.494 1.00 11.64 C ATOM 549 O ALA A 525 -7.704 -2.146 5.685 1.00 12.65 O ATOM 550 CB ALA A 525 -9.469 -4.930 5.723 1.00 11.08 C ATOM 551 H ALA A 525 -8.338 -5.933 7.771 1.00 0.00 H ATOM 552 N LEU A 526 -8.749 -2.576 7.627 1.00 10.77 N ATOM 553 CA LEU A 526 -8.905 -1.159 7.945 1.00 13.98 C ATOM 554 C LEU A 526 -7.559 -0.496 8.173 1.00 14.13 C ATOM 555 O LEU A 526 -7.362 0.672 7.806 1.00 16.12 O ATOM 556 CB LEU A 526 -9.772 -1.002 9.189 1.00 16.25 C ATOM 557 CG LEU A 526 -11.286 -0.939 9.128 1.00 33.60 C ATOM 558 CD1 LEU A 526 -11.802 -0.861 10.570 1.00 38.78 C ATOM 559 CD2 LEU A 526 -11.708 0.254 8.319 1.00 30.68 C ATOM 560 H LEU A 526 -9.102 -3.294 8.291 1.00 0.00 H ATOM 561 N ALA A 527 -6.629 -1.220 8.791 1.00 10.71 N ATOM 562 CA ALA A 527 -5.326 -0.656 9.116 1.00 13.10 C ATOM 563 C ALA A 527 -4.391 -0.566 7.918 1.00 13.58 C ATOM 564 O ALA A 527 -3.477 0.273 7.922 1.00 16.00 O ATOM 565 CB ALA A 527 -4.622 -1.495 10.182 1.00 10.76 C ATOM 566 H ALA A 527 -6.836 -2.207 9.047 1.00 0.00 H ATOM 567 N ILE A 528 -4.544 -1.447 6.929 1.00 10.13 N ATOM 568 CA ILE A 528 -3.536 -1.634 5.881 1.00 11.65 C ATOM 569 C ILE A 528 -4.163 -1.628 4.488 1.00 9.48 C ATOM 570 O ILE A 528 -4.490 -2.695 3.932 1.00 11.00 O ATOM 571 CB ILE A 528 -2.772 -2.945 6.088 1.00 10.09 C ATOM 572 CG1 ILE A 528 -2.246 -3.037 7.520 1.00 13.79 C ATOM 573 CG2 ILE A 528 -1.611 -3.051 5.078 1.00 11.03 C ATOM 574 CD1 ILE A 528 -1.660 -4.411 7.811 1.00 12.01 C ATOM 575 H ILE A 528 -5.410 -2.022 6.900 1.00 0.00 H ATOM 576 N PRO A 529 -4.248 -0.473 3.838 1.00 10.97 N ATOM 577 CA PRO A 529 -4.817 -0.441 2.471 1.00 11.13 C ATOM 578 C PRO A 529 -3.956 -1.156 1.448 1.00 10.33 C ATOM 579 O PRO A 529 -4.475 -1.583 0.405 1.00 11.86 O ATOM 580 CB PRO A 529 -4.923 1.058 2.152 1.00 14.25 C ATOM 581 CG PRO A 529 -4.547 1.792 3.406 1.00 20.23 C ATOM 582 CD PRO A 529 -3.943 0.847 4.399 1.00 12.01 C ATOM 583 N GLN A 530 -2.667 -1.347 1.736 1.00 10.95 N ATOM 584 CA GLN A 530 -1.730 -1.896 0.770 1.00 11.93 C ATOM 585 C GLN A 530 -1.821 -3.412 0.652 1.00 12.61 C ATOM 586 O GLN A 530 -1.177 -3.987 -0.233 1.00 17.39 O ATOM 587 CB GLN A 530 -0.292 -1.495 1.141 1.00 12.91 C ATOM 588 CG GLN A 530 -0.037 -0.007 1.210 1.00 14.62 C ATOM 589 CD GLN A 530 -0.358 0.628 2.562 1.00 15.46 C ATOM 590 OE1 GLN A 530 -0.752 -0.032 3.514 1.00 14.76 O ATOM 591 NE2 GLN A 530 -0.196 1.946 2.622 1.00 25.16 N ATOM 592 HE22 GLN A 530 0.141 2.467 1.788 1.00 0.00 H ATOM 593 HE21 GLN A 530 -0.407 2.456 3.503 1.00 0.00 H ATOM 594 H GLN A 530 -2.321 -1.094 2.684 1.00 0.00 H ATOM 595 N CYS A 531 -2.641 -4.070 1.456 1.00 9.46 N ATOM 596 CA CYS A 531 -2.709 -5.523 1.457 1.00 9.67 C ATOM 597 C CYS A 531 -4.003 -5.977 0.798 1.00 7.96 C ATOM 598 O CYS A 531 -4.871 -5.163 0.488 1.00 8.79 O ATOM 599 CB CYS A 531 -2.614 -6.078 2.881 1.00 11.46 C ATOM 600 SG CYS A 531 -4.140 -6.011 3.875 1.00 11.30 S ATOM 601 H CYS A 531 -3.253 -3.534 2.104 1.00 0.00 H ATOM 602 N ARG A 532 -4.108 -7.289 0.587 1.00 7.66 N ATOM 603 CA ARG A 532 -5.318 -7.921 0.076 1.00 7.50 C ATOM 604 C ARG A 532 -5.574 -9.176 0.893 1.00 7.06 C ATOM 605 O ARG A 532 -4.632 -9.859 1.301 1.00 9.54 O ATOM 606 CB ARG A 532 -5.165 -8.228 -1.404 1.00 8.14 C ATOM 607 CG ARG A 532 -4.875 -7.009 -2.262 1.00 8.08 C ATOM 608 CD ARG A 532 -6.067 -6.052 -2.390 1.00 8.34 C ATOM 609 NE ARG A 532 -5.798 -5.059 -3.432 1.00 8.90 N ATOM 610 CZ ARG A 532 -5.217 -3.884 -3.221 1.00 10.39 C ATOM 611 NH1 ARG A 532 -4.844 -3.522 -1.994 1.00 10.06 N ATOM 612 NH2 ARG A 532 -5.014 -3.067 -4.259 1.00 11.13 N ATOM 613 HE ARG A 532 -6.082 -5.290 -4.405 1.00 0.00 H ATOM 614 HH12 ARG A 532 -4.390 -2.599 -1.840 1.00 0.00 H ATOM 615 HH11 ARG A 532 -5.007 -4.162 -1.191 1.00 0.00 H ATOM 616 HH22 ARG A 532 -4.560 -2.143 -4.112 1.00 0.00 H ATOM 617 HH21 ARG A 532 -5.310 -3.355 -5.213 1.00 0.00 H ATOM 618 H ARG A 532 -3.286 -7.891 0.797 1.00 0.00 H ATOM 619 N LEU A 533 -6.835 -9.466 1.186 1.00 7.14 N ATOM 620 CA LEU A 533 -7.182 -10.546 2.105 1.00 7.46 C ATOM 621 C LEU A 533 -8.106 -11.548 1.436 1.00 7.63 C ATOM 622 O LEU A 533 -9.028 -11.157 0.703 1.00 8.73 O ATOM 623 CB LEU A 533 -7.866 -10.014 3.363 1.00 9.57 C ATOM 624 CG LEU A 533 -6.971 -9.072 4.169 1.00 13.31 C ATOM 625 CD1 LEU A 533 -7.584 -7.730 4.415 1.00 37.88 C ATOM 626 CD2 LEU A 533 -6.627 -9.768 5.479 1.00 25.41 C ATOM 627 H LEU A 533 -7.597 -8.909 0.749 1.00 0.00 H ATOM 628 N THR A 534 -7.911 -12.832 1.748 1.00 7.86 N ATOM 629 CA THR A 534 -8.921 -13.812 1.405 1.00 6.91 C ATOM 630 C THR A 534 -10.074 -13.729 2.384 1.00 7.13 C ATOM 631 O THR A 534 -9.929 -13.194 3.482 1.00 8.42 O ATOM 632 CB THR A 534 -8.369 -15.235 1.455 1.00 6.78 C ATOM 633 OG1 THR A 534 -8.030 -15.590 2.808 1.00 7.67 O ATOM 634 CG2 THR A 534 -7.161 -15.393 0.593 1.00 8.87 C ATOM 635 HG1 THR A 534 -8.840 -15.536 3.375 1.00 0.00 H ATOM 636 H THR A 534 -7.040 -13.126 2.234 1.00 0.00 H ATOM 637 N PRO A 535 -11.205 -14.329 2.042 1.00 6.92 N ATOM 638 CA PRO A 535 -12.232 -14.620 3.049 1.00 6.93 C ATOM 639 C PRO A 535 -11.697 -15.551 4.113 1.00 7.84 C ATOM 640 O PRO A 535 -10.632 -16.167 3.991 1.00 8.57 O ATOM 641 CB PRO A 535 -13.343 -15.304 2.241 1.00 10.34 C ATOM 642 CG PRO A 535 -13.101 -14.892 0.830 1.00 9.06 C ATOM 643 CD PRO A 535 -11.624 -14.706 0.687 1.00 8.23 C ATOM 644 N LEU A 536 -12.483 -15.672 5.164 1.00 7.83 N ATOM 645 CA LEU A 536 -12.294 -16.779 6.079 1.00 8.45 C ATOM 646 C LEU A 536 -12.598 -18.093 5.395 1.00 8.19 C ATOM 647 O LEU A 536 -13.570 -18.209 4.650 1.00 10.51 O ATOM 648 CB LEU A 536 -13.217 -16.631 7.277 1.00 8.71 C ATOM 649 CG LEU A 536 -13.063 -15.360 8.114 1.00 9.77 C ATOM 650 CD1 LEU A 536 -14.065 -15.326 9.298 1.00 12.88 C ATOM 651 CD2 LEU A 536 -11.682 -15.206 8.668 1.00 12.09 C ATOM 652 H LEU A 536 -13.236 -14.975 5.336 1.00 0.00 H ATOM 653 N SER A 537 -11.809 -19.113 5.724 1.00 7.38 N ATOM 654 CA SER A 537 -12.070 -20.460 5.260 1.00 7.79 C ATOM 655 C SER A 537 -11.575 -21.442 6.313 1.00 9.85 C ATOM 656 O SER A 537 -11.304 -21.067 7.454 1.00 12.07 O ATOM 657 CB SER A 537 -11.449 -20.641 3.883 1.00 8.89 C ATOM 658 OG SER A 537 -11.789 -21.912 3.363 1.00 11.48 O ATOM 659 HG SER A 537 -12.774 -21.984 3.289 1.00 0.00 H ATOM 660 H SER A 537 -10.983 -18.938 6.331 1.00 0.00 H ATOM 661 N ARG A 538 -11.560 -22.718 5.959 1.00 11.01 N ATOM 662 CA ARG A 538 -11.299 -23.785 6.917 1.00 10.61 C ATOM 663 C ARG A 538 -10.018 -24.531 6.567 1.00 8.97 C ATOM 664 O ARG A 538 -9.653 -24.667 5.394 1.00 9.15 O ATOM 665 CB ARG A 538 -12.453 -24.758 6.975 1.00 15.75 C ATOM 666 CG ARG A 538 -13.701 -24.122 7.559 1.00 20.49 C ATOM 667 CD ARG A 538 -14.930 -24.961 7.300 1.00 35.54 C ATOM 668 NE ARG A 538 -14.969 -26.133 8.161 1.00 30.88 N ATOM 669 CZ ARG A 538 -15.802 -27.152 7.993 1.00 40.61 C ATOM 670 NH1 ARG A 538 -16.670 -27.148 6.986 1.00 44.27 N ATOM 671 NH2 ARG A 538 -15.758 -28.175 8.826 1.00 29.43 N ATOM 672 HE ARG A 538 -14.302 -26.175 8.958 1.00 0.00 H ATOM 673 HH12 ARG A 538 -17.321 -27.949 6.858 1.00 0.00 H ATOM 674 HH11 ARG A 538 -16.698 -26.344 6.327 1.00 0.00 H ATOM 675 HH22 ARG A 538 -16.408 -28.977 8.700 1.00 0.00 H ATOM 676 HH21 ARG A 538 -15.073 -28.179 9.609 1.00 0.00 H ATOM 677 H ARG A 538 -11.740 -22.967 4.965 1.00 0.00 H ATOM 678 N LEU A 539 -9.317 -24.997 7.608 1.00 9.14 N ATOM 679 CA LEU A 539 -8.124 -25.815 7.436 1.00 8.06 C ATOM 680 C LEU A 539 -8.462 -27.295 7.429 1.00 9.64 C ATOM 681 O LEU A 539 -9.338 -27.741 8.180 1.00 10.59 O ATOM 682 CB LEU A 539 -7.132 -25.587 8.558 1.00 9.42 C ATOM 683 CG LEU A 539 -6.488 -24.212 8.654 1.00 9.27 C ATOM 684 CD1 LEU A 539 -5.612 -24.182 9.891 1.00 13.57 C ATOM 685 CD2 LEU A 539 -5.674 -23.876 7.432 1.00 12.08 C ATOM 686 H LEU A 539 -9.635 -24.767 8.571 1.00 0.00 H ATOM 687 N PRO A 540 -7.713 -28.074 6.654 1.00 9.07 N ATOM 688 CA PRO A 540 -7.738 -29.530 6.797 1.00 10.17 C ATOM 689 C PRO A 540 -7.018 -29.946 8.072 1.00 10.26 C ATOM 690 O PRO A 540 -6.350 -29.154 8.724 1.00 10.57 O ATOM 691 CB PRO A 540 -6.996 -30.021 5.553 1.00 9.84 C ATOM 692 CG PRO A 540 -5.987 -28.922 5.305 1.00 8.97 C ATOM 693 CD PRO A 540 -6.688 -27.625 5.690 1.00 9.61 C ATOM 694 N PHE A 541 -7.145 -31.223 8.409 1.00 11.48 N ATOM 695 CA PHE A 541 -6.417 -31.819 9.516 1.00 11.85 C ATOM 696 C PHE A 541 -4.971 -32.102 9.120 1.00 12.39 C ATOM 697 O PHE A 541 -4.644 -32.231 7.940 1.00 14.01 O ATOM 698 CB PHE A 541 -7.070 -33.133 9.941 1.00 13.62 C ATOM 699 CG PHE A 541 -8.443 -32.981 10.503 1.00 16.03 C ATOM 700 CD1 PHE A 541 -8.634 -32.609 11.828 1.00 17.50 C ATOM 701 CD2 PHE A 541 -9.545 -33.238 9.719 1.00 18.11 C ATOM 702 CE1 PHE A 541 -9.927 -32.503 12.350 1.00 21.97 C ATOM 703 CE2 PHE A 541 -10.824 -33.127 10.236 1.00 20.75 C ATOM 704 CZ PHE A 541 -11.012 -32.761 11.539 1.00 19.17 C ATOM 705 H PHE A 541 -7.792 -31.822 7.858 1.00 0.00 H ATOM 706 N GLY A 542 -4.102 -32.226 10.119 1.00 12.71 N ATOM 707 CA GLY A 542 -2.753 -32.690 9.852 1.00 13.28 C ATOM 708 C GLY A 542 -2.707 -34.202 9.915 1.00 14.21 C ATOM 709 O GLY A 542 -3.446 -34.886 9.210 1.00 15.45 O ATOM 710 H GLY A 542 -4.389 -31.991 11.091 1.00 0.00 H ATOM 711 N MET A 543 -1.885 -34.723 10.816 1.00 15.31 N ATOM 712 CA MET A 543 -1.792 -36.156 11.026 1.00 15.55 C ATOM 713 C MET A 543 -3.136 -36.693 11.490 1.00 19.26 C ATOM 714 O MET A 543 -3.838 -36.056 12.285 1.00 20.40 O ATOM 715 CB MET A 543 -0.702 -36.424 12.055 1.00 19.53 C ATOM 716 CG MET A 543 -0.598 -37.828 12.569 1.00 24.59 C ATOM 717 SD MET A 543 0.950 -38.077 13.470 1.00 19.85 S ATOM 718 CE MET A 543 1.101 -36.522 14.354 1.00 32.50 C ATOM 719 H MET A 543 -1.291 -34.088 11.387 1.00 0.00 H ATOM 720 N ALA A 544 -3.510 -37.848 10.942 1.00 19.45 N ATOM 721 CA ALA A 544 -4.663 -38.624 11.378 1.00 19.24 C ATOM 722 C ALA A 544 -5.949 -37.818 11.270 1.00 22.83 C ATOM 723 O ALA A 544 -6.587 -37.509 12.285 1.00 23.40 O ATOM 724 CB ALA A 544 -4.467 -39.114 12.812 1.00 23.44 C ATOM 725 H ALA A 544 -2.943 -38.219 10.153 1.00 0.00 H ATOM 726 N PRO A 545 -6.388 -37.507 10.059 1.00 17.88 N ATOM 727 CA PRO A 545 -7.645 -36.755 9.896 1.00 18.35 C ATOM 728 C PRO A 545 -8.833 -37.445 10.562 1.00 22.83 C ATOM 729 O PRO A 545 -8.848 -38.659 10.770 1.00 24.72 O ATOM 730 CB PRO A 545 -7.826 -36.686 8.373 1.00 23.02 C ATOM 731 CG PRO A 545 -6.430 -36.950 7.784 1.00 23.10 C ATOM 732 CD PRO A 545 -5.753 -37.883 8.779 1.00 19.45 C ATOM 733 N GLY A 546 -9.852 -36.639 10.903 1.00 25.14 N ATOM 734 CA GLY A 546 -11.106 -37.162 11.389 1.00 27.86 C ATOM 735 C GLY A 546 -11.846 -37.938 10.316 1.00 35.57 C ATOM 736 O GLY A 546 -11.382 -38.054 9.167 1.00 38.19 O ATOM 737 H GLY A 546 -9.734 -35.610 10.814 1.00 0.00 H ATOM 738 N PRO A 547 -13.012 -38.474 10.671 1.00 34.12 N ATOM 739 CA PRO A 547 -13.740 -39.345 9.740 1.00 37.79 C ATOM 740 C PRO A 547 -14.436 -38.560 8.635 1.00 36.41 C ATOM 741 O PRO A 547 -14.661 -37.353 8.723 1.00 42.33 O ATOM 742 CB PRO A 547 -14.764 -40.051 10.635 1.00 42.52 C ATOM 743 CG PRO A 547 -15.051 -39.051 11.731 1.00 40.54 C ATOM 744 CD PRO A 547 -13.719 -38.316 11.958 1.00 43.96 C ATOM 745 N GLY A 548 -14.768 -39.282 7.570 1.00 32.93 N ATOM 746 CA GLY A 548 -15.520 -38.713 6.480 1.00 37.71 C ATOM 747 C GLY A 548 -15.619 -39.659 5.307 1.00 32.47 C ATOM 748 O GLY A 548 -14.796 -40.567 5.144 1.00 37.10 O ATOM 749 H GLY A 548 -14.479 -40.280 7.522 1.00 0.00 H ATOM 750 N PRO A 549 -16.628 -39.458 4.451 1.00 45.02 N ATOM 751 CA PRO A 549 -16.771 -40.330 3.273 1.00 41.04 C ATOM 752 C PRO A 549 -15.779 -40.025 2.165 1.00 35.38 C ATOM 753 O PRO A 549 -15.754 -40.755 1.165 1.00 48.66 O ATOM 754 CB PRO A 549 -18.207 -40.060 2.809 1.00 43.99 C ATOM 755 CG PRO A 549 -18.443 -38.605 3.193 1.00 37.76 C ATOM 756 CD PRO A 549 -17.645 -38.386 4.480 1.00 45.12 C ATOM 757 N GLN A 550 -14.979 -38.975 2.295 1.00 30.71 N ATOM 758 CA GLN A 550 -14.098 -38.573 1.207 1.00 32.87 C ATOM 759 C GLN A 550 -12.644 -38.736 1.621 1.00 26.55 C ATOM 760 O GLN A 550 -12.352 -38.945 2.805 1.00 24.96 O ATOM 761 CB GLN A 550 -14.381 -37.129 0.788 1.00 41.04 C ATOM 762 CG GLN A 550 -15.607 -36.988 -0.118 1.00 45.40 C ATOM 763 CD GLN A 550 -15.969 -35.543 -0.390 1.00 46.94 C ATOM 764 OE1 GLN A 550 -15.242 -34.836 -1.086 1.00 42.01 O ATOM 765 NE2 GLN A 550 -17.099 -35.095 0.156 1.00 53.20 N ATOM 766 HE22 GLN A 550 -17.683 -35.729 0.738 1.00 0.00 H ATOM 767 HE21 GLN A 550 -17.397 -34.111 0.000 1.00 0.00 H ATOM 768 H GLN A 550 -14.981 -38.433 3.183 1.00 0.00 H ATOM 769 N PRO A 551 -11.707 -38.659 0.680 1.00 21.09 N ATOM 770 CA PRO A 551 -10.308 -38.938 1.023 1.00 17.19 C ATOM 771 C PRO A 551 -9.771 -38.024 2.120 1.00 18.43 C ATOM 772 O PRO A 551 -10.120 -36.847 2.214 1.00 17.05 O ATOM 773 CB PRO A 551 -9.575 -38.707 -0.298 1.00 17.25 C ATOM 774 CG PRO A 551 -10.622 -39.071 -1.365 1.00 20.48 C ATOM 775 CD PRO A 551 -11.923 -38.585 -0.780 1.00 23.46 C ATOM 776 N GLY A 552 -8.869 -38.573 2.924 1.00 15.92 N ATOM 777 CA GLY A 552 -8.279 -37.874 4.042 1.00 16.95 C ATOM 778 C GLY A 552 -7.789 -36.458 3.763 1.00 13.57 C ATOM 779 O GLY A 552 -8.005 -35.552 4.578 1.00 14.14 O ATOM 780 H GLY A 552 -8.573 -39.553 2.740 1.00 0.00 H ATOM 781 N PRO A 553 -7.095 -36.236 2.643 1.00 12.81 N ATOM 782 CA PRO A 553 -6.600 -34.870 2.361 1.00 12.84 C ATOM 783 C PRO A 553 -7.696 -33.806 2.285 1.00 12.58 C ATOM 784 O PRO A 553 -7.406 -32.608 2.448 1.00 14.11 O ATOM 785 CB PRO A 553 -5.885 -35.022 1.012 1.00 12.72 C ATOM 786 CG PRO A 553 -5.428 -36.464 1.010 1.00 12.10 C ATOM 787 CD PRO A 553 -6.568 -37.220 1.679 1.00 12.87 C ATOM 788 N LEU A 554 -8.945 -34.195 2.044 1.00 11.64 N ATOM 789 CA LEU A 554 -10.016 -33.240 1.858 1.00 13.02 C ATOM 790 C LEU A 554 -10.770 -32.933 3.137 1.00 16.19 C ATOM 791 O LEU A 554 -11.581 -32.002 3.143 1.00 16.55 O ATOM 792 CB LEU A 554 -11.048 -33.773 0.867 1.00 15.28 C ATOM 793 CG LEU A 554 -10.569 -34.089 -0.539 1.00 15.61 C ATOM 794 CD1 LEU A 554 -11.524 -35.007 -1.270 1.00 20.33 C ATOM 795 CD2 LEU A 554 -10.404 -32.769 -1.321 1.00 19.02 C ATOM 796 H LEU A 554 -9.157 -35.212 1.988 1.00 0.00 H ATOM 797 N ARG A 555 -10.589 -33.714 4.192 1.00 13.19 N ATOM 798 CA ARG A 555 -11.452 -33.561 5.359 1.00 13.55 C ATOM 799 C ARG A 555 -11.158 -32.249 6.071 1.00 13.55 C ATOM 800 O ARG A 555 -9.999 -31.896 6.310 1.00 15.21 O ATOM 801 CB ARG A 555 -11.274 -34.756 6.288 1.00 18.08 C ATOM 802 CG ARG A 555 -11.585 -36.066 5.562 1.00 19.78 C ATOM 803 CD ARG A 555 -11.888 -37.233 6.431 1.00 24.04 C ATOM 804 NE ARG A 555 -11.867 -38.439 5.604 1.00 26.96 N ATOM 805 CZ ARG A 555 -11.242 -39.568 5.929 1.00 39.73 C ATOM 806 NH1 ARG A 555 -10.609 -39.669 7.090 1.00 36.77 N ATOM 807 NH2 ARG A 555 -11.272 -40.606 5.108 1.00 37.76 N ATOM 808 HE ARG A 555 -12.377 -38.412 4.698 1.00 0.00 H ATOM 809 HH12 ARG A 555 -10.121 -40.553 7.341 1.00 0.00 H ATOM 810 HH11 ARG A 555 -10.600 -38.865 7.749 1.00 0.00 H ATOM 811 HH22 ARG A 555 -10.782 -41.487 5.365 1.00 0.00 H ATOM 812 HH21 ARG A 555 -11.785 -40.541 4.206 1.00 0.00 H ATOM 813 H ARG A 555 -9.836 -34.432 4.188 1.00 0.00 H ATOM 814 N GLU A 556 -12.224 -31.543 6.410 1.00 13.44 N ATOM 815 CA GLU A 556 -12.135 -30.204 6.960 1.00 12.62 C ATOM 816 C GLU A 556 -12.266 -30.256 8.475 1.00 13.05 C ATOM 817 O GLU A 556 -13.176 -30.909 9.012 1.00 15.01 O ATOM 818 CB GLU A 556 -13.205 -29.280 6.374 1.00 17.24 C ATOM 819 CG GLU A 556 -13.139 -29.087 4.853 1.00 22.04 C ATOM 820 CD GLU A 556 -14.292 -28.239 4.314 1.00 34.46 C ATOM 821 OE1 GLU A 556 -14.667 -27.250 4.967 1.00 31.29 O ATOM 822 OE2 GLU A 556 -14.816 -28.559 3.226 1.00 32.01 O ATOM 823 H GLU A 556 -13.165 -31.966 6.277 1.00 0.00 H ATOM 824 N SER A 557 -11.350 -29.557 9.144 1.00 12.07 N ATOM 825 CA SER A 557 -11.452 -29.301 10.573 1.00 12.57 C ATOM 826 C SER A 557 -12.419 -28.156 10.835 1.00 15.18 C ATOM 827 O SER A 557 -12.993 -27.559 9.920 1.00 15.81 O ATOM 828 CB SER A 557 -10.083 -28.956 11.149 1.00 11.64 C ATOM 829 OG SER A 557 -9.751 -27.600 10.878 1.00 11.36 O ATOM 830 HG SER A 557 -9.733 -27.455 9.899 1.00 0.00 H ATOM 831 H SER A 557 -10.531 -29.180 8.625 1.00 0.00 H ATOM 832 N ILE A 558 -12.597 -27.836 12.124 1.00 14.22 N ATOM 833 CA ILE A 558 -13.370 -26.664 12.509 1.00 15.44 C ATOM 834 C ILE A 558 -12.507 -25.422 12.691 1.00 15.84 C ATOM 835 O ILE A 558 -13.036 -24.353 13.030 1.00 18.20 O ATOM 836 CB ILE A 558 -14.171 -26.885 13.811 1.00 17.99 C ATOM 837 CG1 ILE A 558 -13.246 -27.106 15.018 1.00 20.09 C ATOM 838 CG2 ILE A 558 -15.046 -28.110 13.690 1.00 25.63 C ATOM 839 CD1 ILE A 558 -13.958 -27.291 16.379 1.00 28.04 C ATOM 840 H ILE A 558 -12.176 -28.435 12.862 1.00 0.00 H ATOM 841 N VAL A 559 -11.199 -25.520 12.456 1.00 11.34 N ATOM 842 CA VAL A 559 -10.269 -24.401 12.604 1.00 10.37 C ATOM 843 C VAL A 559 -10.278 -23.574 11.333 1.00 11.42 C ATOM 844 O VAL A 559 -10.205 -24.120 10.220 1.00 11.53 O ATOM 845 CB VAL A 559 -8.848 -24.911 12.892 1.00 11.40 C ATOM 846 CG1 VAL A 559 -7.875 -23.727 13.098 1.00 11.46 C ATOM 847 CG2 VAL A 559 -8.862 -25.841 14.092 1.00 13.21 C ATOM 848 H VAL A 559 -10.820 -26.439 12.152 1.00 0.00 H ATOM 849 N CYS A 560 -10.349 -22.253 11.491 1.00 9.85 N ATOM 850 CA CYS A 560 -10.430 -21.357 10.353 1.00 9.30 C ATOM 851 C CYS A 560 -9.110 -20.658 10.103 1.00 8.70 C ATOM 852 O CYS A 560 -8.194 -20.683 10.914 1.00 8.89 O ATOM 853 CB CYS A 560 -11.542 -20.337 10.580 1.00 9.87 C ATOM 854 SG CYS A 560 -13.189 -21.149 10.651 1.00 19.14 S ATOM 855 H CYS A 560 -10.346 -21.855 12.452 1.00 0.00 H ATOM 856 N TYR A 561 -9.013 -20.051 8.923 1.00 7.40 N ATOM 857 CA TYR A 561 -7.839 -19.287 8.532 1.00 6.16 C ATOM 858 C TYR A 561 -8.248 -18.196 7.558 1.00 6.94 C ATOM 859 O TYR A 561 -9.346 -18.212 6.981 1.00 8.02 O ATOM 860 CB TYR A 561 -6.759 -20.173 7.865 1.00 6.41 C ATOM 861 CG TYR A 561 -6.986 -20.442 6.387 1.00 7.67 C ATOM 862 CD1 TYR A 561 -6.388 -19.661 5.431 1.00 6.70 C ATOM 863 CD2 TYR A 561 -7.820 -21.463 5.956 1.00 7.97 C ATOM 864 CE1 TYR A 561 -6.610 -19.877 4.067 1.00 7.06 C ATOM 865 CE2 TYR A 561 -8.044 -21.689 4.603 1.00 7.07 C ATOM 866 CZ TYR A 561 -7.437 -20.899 3.670 1.00 8.01 C ATOM 867 OH TYR A 561 -7.637 -21.097 2.327 1.00 10.05 O ATOM 868 HH TYR A 561 -8.600 -20.995 2.119 1.00 0.00 H ATOM 869 H TYR A 561 -9.807 -20.126 8.255 1.00 0.00 H ATOM 870 N PHE A 562 -7.341 -17.236 7.376 1.00 6.08 N ATOM 871 CA PHE A 562 -7.351 -16.365 6.212 1.00 6.32 C ATOM 872 C PHE A 562 -5.911 -16.050 5.833 1.00 6.77 C ATOM 873 O PHE A 562 -4.977 -16.267 6.608 1.00 7.50 O ATOM 874 CB PHE A 562 -8.156 -15.077 6.420 1.00 7.91 C ATOM 875 CG PHE A 562 -7.625 -14.152 7.473 1.00 6.64 C ATOM 876 CD1 PHE A 562 -6.802 -13.101 7.130 1.00 8.20 C ATOM 877 CD2 PHE A 562 -7.976 -14.304 8.807 1.00 6.46 C ATOM 878 CE1 PHE A 562 -6.346 -12.189 8.063 1.00 8.67 C ATOM 879 CE2 PHE A 562 -7.513 -13.382 9.761 1.00 9.63 C ATOM 880 CZ PHE A 562 -6.685 -12.352 9.388 1.00 8.58 C ATOM 881 H PHE A 562 -6.599 -17.105 8.093 1.00 0.00 H ATOM 882 N MET A 563 -5.735 -15.520 4.623 1.00 7.47 N ATOM 883 CA MET A 563 -4.420 -15.186 4.086 1.00 9.35 C ATOM 884 C MET A 563 -4.388 -13.720 3.677 1.00 6.69 C ATOM 885 O MET A 563 -5.325 -13.211 3.048 1.00 6.74 O ATOM 886 CB MET A 563 -4.063 -16.084 2.869 1.00 12.93 C ATOM 887 CG MET A 563 -2.612 -16.040 2.395 1.00 28.54 C ATOM 888 SD MET A 563 -2.105 -17.555 1.510 1.00 25.88 S ATOM 889 CE MET A 563 -3.670 -18.457 1.382 1.00 16.71 C ATOM 890 H MET A 563 -6.573 -15.336 4.035 1.00 0.00 H ATOM 891 N VAL A 564 -3.276 -13.066 4.005 1.00 6.77 N ATOM 892 CA VAL A 564 -2.987 -11.693 3.623 1.00 6.92 C ATOM 893 C VAL A 564 -1.938 -11.752 2.530 1.00 7.09 C ATOM 894 O VAL A 564 -0.877 -12.357 2.724 1.00 8.82 O ATOM 895 CB VAL A 564 -2.444 -10.864 4.800 1.00 8.35 C ATOM 896 CG1 VAL A 564 -2.278 -9.399 4.365 1.00 10.41 C ATOM 897 CG2 VAL A 564 -3.324 -10.974 6.028 1.00 10.00 C ATOM 898 H VAL A 564 -2.566 -13.571 4.573 1.00 0.00 H ATOM 899 N PHE A 565 -2.217 -11.123 1.386 1.00 7.24 N ATOM 900 CA PHE A 565 -1.229 -10.989 0.319 1.00 7.57 C ATOM 901 C PHE A 565 -0.531 -9.639 0.421 1.00 8.67 C ATOM 902 O PHE A 565 -1.172 -8.616 0.670 1.00 7.88 O ATOM 903 CB PHE A 565 -1.865 -11.123 -1.080 1.00 8.31 C ATOM 904 CG PHE A 565 -2.566 -12.417 -1.291 1.00 8.33 C ATOM 905 CD1 PHE A 565 -1.908 -13.535 -1.750 1.00 9.83 C ATOM 906 CD2 PHE A 565 -3.914 -12.519 -1.054 1.00 9.95 C ATOM 907 CE1 PHE A 565 -2.588 -14.728 -1.914 1.00 9.90 C ATOM 908 CE2 PHE A 565 -4.572 -13.710 -1.222 1.00 8.92 C ATOM 909 CZ PHE A 565 -3.912 -14.802 -1.651 1.00 10.29 C ATOM 910 H PHE A 565 -3.165 -10.717 1.251 1.00 0.00 H ATOM 911 N LEU A 566 0.785 -9.646 0.218 1.00 8.78 N ATOM 912 CA LEU A 566 1.625 -8.464 0.356 1.00 8.66 C ATOM 913 C LEU A 566 2.627 -8.394 -0.793 1.00 8.05 C ATOM 914 O LEU A 566 3.000 -9.408 -1.388 1.00 9.77 O ATOM 915 CB LEU A 566 2.404 -8.450 1.684 1.00 8.79 C ATOM 916 CG LEU A 566 1.686 -8.332 3.032 1.00 16.11 C ATOM 917 CD1 LEU A 566 0.597 -7.282 3.044 1.00 10.06 C ATOM 918 CD2 LEU A 566 1.151 -9.707 3.421 1.00 22.96 C ATOM 919 H LEU A 566 1.237 -10.543 -0.053 1.00 0.00 H ATOM 920 N GLN A 567 3.084 -7.174 -1.083 1.00 8.24 N ATOM 921 CA GLN A 567 4.066 -6.950 -2.133 1.00 9.48 C ATOM 922 C GLN A 567 5.506 -7.054 -1.652 1.00 10.32 C ATOM 923 O GLN A 567 6.425 -7.133 -2.493 1.00 11.14 O ATOM 924 CB GLN A 567 3.829 -5.584 -2.782 1.00 11.12 C ATOM 925 CG GLN A 567 2.566 -5.573 -3.633 1.00 10.87 C ATOM 926 CD GLN A 567 2.358 -4.277 -4.360 1.00 13.80 C ATOM 927 OE1 GLN A 567 3.288 -3.498 -4.522 1.00 14.67 O ATOM 928 NE2 GLN A 567 1.122 -4.036 -4.803 1.00 15.18 N ATOM 929 HE22 GLN A 567 0.366 -4.731 -4.639 1.00 0.00 H ATOM 930 HE21 GLN A 567 0.915 -3.153 -5.312 1.00 0.00 H ATOM 931 H GLN A 567 2.728 -6.360 -0.543 1.00 0.00 H ATOM 932 N THR A 568 5.758 -7.032 -0.341 1.00 8.50 N ATOM 933 CA THR A 568 7.133 -7.122 0.127 1.00 8.38 C ATOM 934 C THR A 568 7.268 -8.155 1.238 1.00 8.19 C ATOM 935 O THR A 568 6.385 -8.315 2.090 1.00 9.21 O ATOM 936 CB THR A 568 7.699 -5.770 0.640 1.00 9.02 C ATOM 937 OG1 THR A 568 7.064 -5.416 1.872 1.00 10.28 O ATOM 938 CG2 THR A 568 7.495 -4.659 -0.383 1.00 13.17 C ATOM 939 HG1 THR A 568 7.429 -4.554 2.194 1.00 0.00 H ATOM 940 H THR A 568 4.977 -6.951 0.341 1.00 0.00 H ATOM 941 N HIS A 569 8.417 -8.828 1.215 1.00 8.43 N ATOM 942 CA HIS A 569 8.765 -9.793 2.249 1.00 8.17 C ATOM 943 C HIS A 569 8.980 -9.122 3.586 1.00 8.54 C ATOM 944 O HIS A 569 8.552 -9.650 4.620 1.00 8.26 O ATOM 945 CB HIS A 569 9.994 -10.573 1.807 1.00 8.72 C ATOM 946 CG HIS A 569 9.762 -11.317 0.545 1.00 10.19 C ATOM 947 ND1 HIS A 569 8.948 -12.427 0.487 1.00 10.89 N ATOM 948 CD2 HIS A 569 10.176 -11.081 -0.719 1.00 11.16 C ATOM 949 CE1 HIS A 569 8.888 -12.857 -0.759 1.00 11.25 C ATOM 950 NE2 HIS A 569 9.624 -12.063 -1.511 1.00 13.14 N ATOM 951 H HIS A 569 9.085 -8.660 0.436 1.00 0.00 H ATOM 952 N ILE A 570 9.617 -7.947 3.610 1.00 9.12 N ATOM 953 CA ILE A 570 9.857 -7.307 4.900 1.00 8.60 C ATOM 954 C ILE A 570 8.545 -6.897 5.558 1.00 9.41 C ATOM 955 O ILE A 570 8.377 -7.066 6.768 1.00 9.52 O ATOM 956 CB ILE A 570 10.831 -6.117 4.784 1.00 9.35 C ATOM 957 CG1 ILE A 570 11.139 -5.595 6.187 1.00 11.02 C ATOM 958 CG2 ILE A 570 10.258 -5.001 3.915 1.00 10.49 C ATOM 959 CD1 ILE A 570 11.813 -6.630 7.102 1.00 11.89 C ATOM 960 H ILE A 570 9.935 -7.498 2.728 1.00 0.00 H ATOM 961 N PHE A 571 7.585 -6.377 4.800 1.00 8.05 N ATOM 962 CA PHE A 571 6.338 -5.995 5.459 1.00 7.95 C ATOM 963 C PHE A 571 5.565 -7.225 5.936 1.00 8.31 C ATOM 964 O PHE A 571 4.899 -7.166 6.978 1.00 9.42 O ATOM 965 CB PHE A 571 5.484 -5.128 4.537 1.00 8.44 C ATOM 966 CG PHE A 571 4.264 -4.540 5.209 1.00 9.73 C ATOM 967 CD1 PHE A 571 4.374 -3.811 6.377 1.00 10.64 C ATOM 968 CD2 PHE A 571 3.019 -4.693 4.647 1.00 15.99 C ATOM 969 CE1 PHE A 571 3.264 -3.262 6.981 1.00 14.01 C ATOM 970 CE2 PHE A 571 1.898 -4.145 5.252 1.00 18.55 C ATOM 971 CZ PHE A 571 2.035 -3.439 6.432 1.00 14.19 C ATOM 972 H PHE A 571 7.716 -6.247 3.777 1.00 0.00 H ATOM 973 N ALA A 572 5.630 -8.350 5.217 1.00 8.23 N ATOM 974 CA ALA A 572 5.019 -9.560 5.755 1.00 8.79 C ATOM 975 C ALA A 572 5.608 -9.918 7.118 1.00 8.03 C ATOM 976 O ALA A 572 4.879 -10.299 8.034 1.00 8.43 O ATOM 977 CB ALA A 572 5.183 -10.719 4.773 1.00 8.12 C ATOM 978 H ALA A 572 6.107 -8.362 4.293 1.00 0.00 H ATOM 979 N GLU A 573 6.931 -9.822 7.277 1.00 7.77 N ATOM 980 CA GLU A 573 7.555 -10.101 8.576 1.00 9.55 C ATOM 981 C GLU A 573 7.044 -9.151 9.652 1.00 9.96 C ATOM 982 O GLU A 573 6.697 -9.576 10.766 1.00 9.67 O ATOM 983 CB GLU A 573 9.078 -9.989 8.450 1.00 10.25 C ATOM 984 CG GLU A 573 9.828 -10.374 9.710 1.00 9.72 C ATOM 985 CD GLU A 573 9.897 -11.878 9.959 1.00 12.83 C ATOM 986 OE1 GLU A 573 9.498 -12.691 9.088 1.00 12.35 O ATOM 987 OE2 GLU A 573 10.377 -12.238 11.064 1.00 13.15 O ATOM 988 H GLU A 573 7.526 -9.546 6.470 1.00 0.00 H ATOM 989 N VAL A 574 7.017 -7.853 9.340 1.00 8.47 N ATOM 990 CA VAL A 574 6.573 -6.843 10.301 1.00 8.06 C ATOM 991 C VAL A 574 5.118 -7.078 10.684 1.00 9.86 C ATOM 992 O VAL A 574 4.735 -6.942 11.851 1.00 10.73 O ATOM 993 CB VAL A 574 6.801 -5.436 9.708 1.00 11.60 C ATOM 994 CG1 VAL A 574 6.088 -4.390 10.508 1.00 15.29 C ATOM 995 CG2 VAL A 574 8.310 -5.163 9.614 1.00 13.04 C ATOM 996 H VAL A 574 7.319 -7.553 8.391 1.00 0.00 H ATOM 997 N LEU A 575 4.276 -7.419 9.707 1.00 9.63 N ATOM 998 CA LEU A 575 2.870 -7.661 10.002 1.00 8.13 C ATOM 999 C LEU A 575 2.681 -8.931 10.838 1.00 8.55 C ATOM 1000 O LEU A 575 1.869 -8.945 11.778 1.00 8.62 O ATOM 1001 CB LEU A 575 2.074 -7.727 8.703 1.00 8.42 C ATOM 1002 CG LEU A 575 0.583 -8.052 8.894 1.00 8.95 C ATOM 1003 CD1 LEU A 575 -0.116 -7.045 9.799 1.00 10.91 C ATOM 1004 CD2 LEU A 575 -0.128 -8.153 7.542 1.00 8.58 C ATOM 1005 H LEU A 575 4.624 -7.512 8.732 1.00 0.00 H ATOM 1006 N LYS A 576 3.419 -10.000 10.523 1.00 7.38 N ATOM 1007 CA LYS A 576 3.392 -11.205 11.343 1.00 7.72 C ATOM 1008 C LYS A 576 3.730 -10.875 12.793 1.00 8.94 C ATOM 1009 O LYS A 576 3.024 -11.288 13.716 1.00 8.52 O ATOM 1010 CB LYS A 576 4.363 -12.233 10.758 1.00 8.37 C ATOM 1011 CG LYS A 576 4.588 -13.484 11.570 1.00 8.83 C ATOM 1012 CD LYS A 576 5.778 -13.379 12.503 1.00 9.20 C ATOM 1013 CE LYS A 576 7.059 -13.073 11.786 1.00 10.39 C ATOM 1014 NZ LYS A 576 8.238 -13.189 12.707 1.00 11.77 N ATOM 1015 HZ1 LYS A 576 8.129 -12.518 13.494 1.00 0.00 H ATOM 1016 HZ2 LYS A 576 8.290 -14.158 13.081 1.00 0.00 H ATOM 1017 HZ3 LYS A 576 9.109 -12.972 12.182 1.00 0.00 H ATOM 1018 H LYS A 576 4.024 -9.972 9.677 1.00 0.00 H ATOM 1019 N ASP A 577 4.772 -10.081 13.005 1.00 8.76 N ATOM 1020 CA ASP A 577 5.153 -9.741 14.370 1.00 9.23 C ATOM 1021 C ASP A 577 4.093 -8.876 15.033 1.00 10.97 C ATOM 1022 O ASP A 577 3.814 -9.052 16.229 1.00 10.71 O ATOM 1023 CB ASP A 577 6.514 -9.033 14.407 1.00 9.78 C ATOM 1024 CG ASP A 577 7.688 -9.987 14.221 1.00 14.29 C ATOM 1025 OD1 ASP A 577 7.540 -11.209 14.444 1.00 14.70 O ATOM 1026 OD2 ASP A 577 8.769 -9.469 13.874 1.00 17.70 O ATOM 1027 H ASP A 577 5.314 -9.703 12.201 1.00 0.00 H ATOM 1028 N ALA A 578 3.502 -7.946 14.284 1.00 8.94 N ATOM 1029 CA ALA A 578 2.469 -7.096 14.852 1.00 9.02 C ATOM 1030 C ALA A 578 1.256 -7.917 15.263 1.00 8.79 C ATOM 1031 O ALA A 578 0.690 -7.685 16.336 1.00 9.30 O ATOM 1032 CB ALA A 578 2.069 -6.005 13.862 1.00 9.93 C ATOM 1033 H ALA A 578 3.781 -7.828 13.289 1.00 0.00 H ATOM 1034 N ILE A 579 0.825 -8.863 14.426 1.00 8.64 N ATOM 1035 CA ILE A 579 -0.340 -9.670 14.795 1.00 8.26 C ATOM 1036 C ILE A 579 -0.025 -10.491 16.027 1.00 9.27 C ATOM 1037 O ILE A 579 -0.837 -10.563 16.972 1.00 9.75 O ATOM 1038 CB ILE A 579 -0.783 -10.546 13.604 1.00 9.75 C ATOM 1039 CG1 ILE A 579 -1.389 -9.669 12.509 1.00 9.83 C ATOM 1040 CG2 ILE A 579 -1.791 -11.544 14.064 1.00 11.36 C ATOM 1041 CD1 ILE A 579 -1.661 -10.436 11.185 1.00 10.76 C ATOM 1042 H ILE A 579 1.311 -9.025 13.521 1.00 0.00 H ATOM 1043 N LYS A 580 1.145 -11.117 16.085 1.00 8.72 N ATOM 1044 CA LYS A 580 1.511 -11.915 17.245 1.00 10.21 C ATOM 1045 C LYS A 580 1.505 -11.061 18.507 1.00 9.70 C ATOM 1046 O LYS A 580 0.958 -11.463 19.540 1.00 10.03 O ATOM 1047 CB LYS A 580 2.878 -12.558 17.039 1.00 14.24 C ATOM 1048 CG LYS A 580 2.874 -13.656 16.013 1.00 17.31 C ATOM 1049 CD LYS A 580 4.280 -14.197 15.879 1.00 25.98 C ATOM 1050 CE LYS A 580 4.514 -15.313 16.869 1.00 26.91 C ATOM 1051 NZ LYS A 580 5.333 -16.369 16.213 1.00 29.37 N ATOM 1052 HZ1 LYS A 580 4.825 -16.734 15.382 1.00 0.00 H ATOM 1053 HZ2 LYS A 580 6.243 -15.964 15.914 1.00 0.00 H ATOM 1054 HZ3 LYS A 580 5.501 -17.144 16.886 1.00 0.00 H ATOM 1055 H LYS A 580 1.809 -11.035 15.289 1.00 0.00 H ATOM 1056 N ASP A 581 2.099 -9.864 18.434 1.00 9.82 N ATOM 1057 CA ASP A 581 2.141 -8.981 19.598 1.00 10.42 C ATOM 1058 C ASP A 581 0.745 -8.549 20.024 1.00 10.48 C ATOM 1059 O ASP A 581 0.455 -8.439 21.228 1.00 12.24 O ATOM 1060 CB ASP A 581 3.000 -7.743 19.285 1.00 10.72 C ATOM 1061 CG ASP A 581 4.483 -8.042 19.254 1.00 17.01 C ATOM 1062 OD1 ASP A 581 4.904 -9.018 19.907 1.00 19.16 O ATOM 1063 OD2 ASP A 581 5.236 -7.292 18.602 1.00 14.45 O ATOM 1064 H ASP A 581 2.535 -9.559 17.540 1.00 0.00 H ATOM 1065 N LEU A 582 -0.114 -8.253 19.053 1.00 9.93 N ATOM 1066 CA LEU A 582 -1.442 -7.746 19.365 1.00 10.76 C ATOM 1067 C LEU A 582 -2.304 -8.828 19.996 1.00 10.34 C ATOM 1068 O LEU A 582 -2.958 -8.593 21.021 1.00 11.11 O ATOM 1069 CB LEU A 582 -2.090 -7.198 18.095 1.00 10.15 C ATOM 1070 CG LEU A 582 -3.496 -6.629 18.255 1.00 14.96 C ATOM 1071 CD1 LEU A 582 -3.502 -5.508 19.231 1.00 22.06 C ATOM 1072 CD2 LEU A 582 -3.996 -6.166 16.892 1.00 21.33 C ATOM 1073 H LEU A 582 0.166 -8.385 18.060 1.00 0.00 H ATOM 1074 N VAL A 583 -2.335 -10.023 19.401 1.00 10.10 N ATOM 1075 CA VAL A 583 -3.274 -11.010 19.912 1.00 10.63 C ATOM 1076 C VAL A 583 -2.851 -11.509 21.283 1.00 11.15 C ATOM 1077 O VAL A 583 -3.703 -11.947 22.069 1.00 11.50 O ATOM 1078 CB VAL A 583 -3.479 -12.195 18.945 1.00 11.04 C ATOM 1079 CG1 VAL A 583 -3.998 -11.715 17.599 1.00 10.10 C ATOM 1080 CG2 VAL A 583 -2.239 -13.028 18.790 1.00 11.69 C ATOM 1081 H VAL A 583 -1.709 -10.241 18.599 1.00 0.00 H ATOM 1082 N MET A 584 -1.565 -11.428 21.622 1.00 10.84 N ATOM 1083 CA MET A 584 -1.127 -11.796 22.965 1.00 13.66 C ATOM 1084 C MET A 584 -1.744 -10.906 24.044 1.00 15.86 C ATOM 1085 O MET A 584 -1.799 -11.306 25.218 1.00 16.97 O ATOM 1086 CB MET A 584 0.398 -11.728 23.017 1.00 17.35 C ATOM 1087 CG MET A 584 1.026 -12.156 24.319 1.00 26.72 C ATOM 1088 SD MET A 584 2.788 -12.398 24.022 1.00 32.92 S ATOM 1089 CE MET A 584 3.179 -10.961 23.029 1.00 17.49 C ATOM 1090 H MET A 584 -0.867 -11.100 20.924 1.00 0.00 H ATOM 1091 N THR A 585 -2.206 -9.706 23.691 1.00 13.09 N ATOM 1092 CA THR A 585 -2.807 -8.804 24.673 1.00 12.74 C ATOM 1093 C THR A 585 -4.310 -9.015 24.836 1.00 12.86 C ATOM 1094 O THR A 585 -4.933 -8.321 25.652 1.00 16.78 O ATOM 1095 CB THR A 585 -2.563 -7.332 24.299 1.00 15.76 C ATOM 1096 OG1 THR A 585 -3.391 -6.971 23.192 1.00 14.29 O ATOM 1097 CG2 THR A 585 -1.092 -7.037 23.986 1.00 14.21 C ATOM 1098 HG1 THR A 585 -3.173 -7.547 22.417 1.00 0.00 H ATOM 1099 H THR A 585 -2.138 -9.406 22.698 1.00 0.00 H ATOM 1100 N LYS A 586 -4.914 -9.919 24.062 1.00 13.25 N ATOM 1101 CA LYS A 586 -6.344 -10.151 24.080 1.00 14.94 C ATOM 1102 C LYS A 586 -6.688 -11.425 24.837 1.00 14.19 C ATOM 1103 O LYS A 586 -5.868 -12.341 24.950 1.00 16.16 O ATOM 1104 CB LYS A 586 -6.878 -10.257 22.647 1.00 13.11 C ATOM 1105 CG LYS A 586 -6.536 -9.071 21.776 1.00 14.25 C ATOM 1106 CD LYS A 586 -7.206 -7.788 22.247 1.00 12.15 C ATOM 1107 CE LYS A 586 -6.996 -6.696 21.197 1.00 16.88 C ATOM 1108 NZ LYS A 586 -7.592 -5.420 21.696 1.00 16.01 N ATOM 1109 HZ1 LYS A 586 -8.610 -5.556 21.863 1.00 0.00 H ATOM 1110 HZ2 LYS A 586 -7.127 -5.146 22.585 1.00 0.00 H ATOM 1111 HZ3 LYS A 586 -7.453 -4.673 20.986 1.00 0.00 H ATOM 1112 H LYS A 586 -4.329 -10.485 23.414 1.00 0.00 H ATOM 1113 N PRO A 587 -7.897 -11.514 25.374 1.00 13.53 N ATOM 1114 CA PRO A 587 -8.306 -12.751 26.036 1.00 14.97 C ATOM 1115 C PRO A 587 -8.485 -13.885 25.043 1.00 14.53 C ATOM 1116 O PRO A 587 -8.588 -13.690 23.833 1.00 16.53 O ATOM 1117 CB PRO A 587 -9.630 -12.387 26.711 1.00 20.97 C ATOM 1118 CG PRO A 587 -10.105 -11.147 26.045 1.00 27.18 C ATOM 1119 CD PRO A 587 -8.916 -10.456 25.429 1.00 19.42 C ATOM 1120 N ALA A 588 -8.499 -15.096 25.577 1.00 16.57 N ATOM 1121 CA ALA A 588 -8.862 -16.240 24.762 1.00 19.57 C ATOM 1122 C ALA A 588 -10.289 -16.060 24.246 1.00 17.67 C ATOM 1123 O ALA A 588 -11.152 -15.539 24.960 1.00 18.45 O ATOM 1124 CB ALA A 588 -8.765 -17.527 25.571 1.00 18.44 C ATOM 1125 H ALA A 588 -8.250 -15.227 26.578 1.00 0.00 H ATOM 1126 N PRO A 589 -10.577 -16.512 23.026 1.00 15.39 N ATOM 1127 CA PRO A 589 -9.666 -17.292 22.168 1.00 12.48 C ATOM 1128 C PRO A 589 -8.761 -16.511 21.205 1.00 12.56 C ATOM 1129 O PRO A 589 -7.959 -17.115 20.488 1.00 13.79 O ATOM 1130 CB PRO A 589 -10.628 -18.155 21.366 1.00 20.42 C ATOM 1131 CG PRO A 589 -11.866 -17.276 21.224 1.00 19.81 C ATOM 1132 CD PRO A 589 -11.964 -16.527 22.525 1.00 20.60 C ATOM 1133 N THR A 590 -8.889 -15.183 21.204 1.00 12.70 N ATOM 1134 CA THR A 590 -8.100 -14.370 20.298 1.00 10.90 C ATOM 1135 C THR A 590 -6.614 -14.613 20.502 1.00 10.60 C ATOM 1136 O THR A 590 -5.859 -14.671 19.537 1.00 10.06 O ATOM 1137 CB THR A 590 -8.439 -12.900 20.494 1.00 13.94 C ATOM 1138 OG1 THR A 590 -9.841 -12.732 20.230 1.00 18.38 O ATOM 1139 CG2 THR A 590 -7.624 -12.017 19.586 1.00 14.19 C ATOM 1140 HG1 THR A 590 -10.363 -13.292 20.858 1.00 0.00 H ATOM 1141 H THR A 590 -9.559 -14.728 21.857 1.00 0.00 H ATOM 1142 N CYS A 591 -6.177 -14.785 21.752 1.00 12.34 N ATOM 1143 CA CYS A 591 -4.739 -14.964 21.947 1.00 13.83 C ATOM 1144 C CYS A 591 -4.244 -16.314 21.447 1.00 13.09 C ATOM 1145 O CYS A 591 -3.027 -16.511 21.382 1.00 14.17 O ATOM 1146 CB CYS A 591 -4.329 -14.770 23.418 1.00 13.12 C ATOM 1147 SG CYS A 591 -5.233 -15.883 24.555 1.00 17.37 S ATOM 1148 H CYS A 591 -6.835 -14.791 22.557 1.00 0.00 H ATOM 1149 N ASN A 592 -5.135 -17.206 21.019 1.00 11.06 N ATOM 1150 CA ASN A 592 -4.740 -18.495 20.472 1.00 12.79 C ATOM 1151 C ASN A 592 -4.537 -18.442 18.968 1.00 11.88 C ATOM 1152 O ASN A 592 -4.168 -19.455 18.368 1.00 12.16 O ATOM 1153 CB ASN A 592 -5.793 -19.544 20.814 1.00 12.96 C ATOM 1154 CG ASN A 592 -5.874 -19.796 22.286 1.00 20.14 C ATOM 1155 OD1 ASN A 592 -4.872 -19.673 22.993 1.00 23.10 O ATOM 1156 ND2 ASN A 592 -7.063 -20.130 22.766 1.00 23.36 N ATOM 1157 HD22 ASN A 592 -7.876 -20.220 22.124 1.00 0.00 H ATOM 1158 HD21 ASN A 592 -7.183 -20.302 23.785 1.00 0.00 H ATOM 1159 H ASN A 592 -6.147 -16.974 21.078 1.00 0.00 H ATOM 1160 N ILE A 593 -4.789 -17.294 18.345 1.00 9.87 N ATOM 1161 CA ILE A 593 -4.508 -17.136 16.925 1.00 9.30 C ATOM 1162 C ILE A 593 -3.023 -17.322 16.657 1.00 9.20 C ATOM 1163 O ILE A 593 -2.161 -16.862 17.416 1.00 10.87 O ATOM 1164 CB ILE A 593 -4.978 -15.752 16.449 1.00 8.94 C ATOM 1165 CG1 ILE A 593 -6.510 -15.714 16.481 1.00 11.04 C ATOM 1166 CG2 ILE A 593 -4.443 -15.466 15.071 1.00 10.10 C ATOM 1167 CD1 ILE A 593 -7.125 -14.339 16.258 1.00 12.67 C ATOM 1168 H ILE A 593 -5.192 -16.498 18.880 1.00 0.00 H ATOM 1169 N ARG A 594 -2.725 -18.010 15.553 1.00 9.03 N ATOM 1170 CA ARG A 594 -1.382 -18.314 15.085 1.00 9.03 C ATOM 1171 C ARG A 594 -1.131 -17.602 13.765 1.00 8.64 C ATOM 1172 O ARG A 594 -2.061 -17.362 12.993 1.00 8.27 O ATOM 1173 CB ARG A 594 -1.200 -19.822 14.872 1.00 9.46 C ATOM 1174 CG ARG A 594 -1.562 -20.643 16.094 1.00 15.18 C ATOM 1175 CD ARG A 594 -0.456 -20.568 17.126 1.00 20.36 C ATOM 1176 NE ARG A 594 0.823 -20.942 16.531 1.00 22.99 N ATOM 1177 CZ ARG A 594 1.203 -22.193 16.295 1.00 24.74 C ATOM 1178 NH1 ARG A 594 0.420 -23.208 16.632 1.00 30.54 N ATOM 1179 NH2 ARG A 594 2.386 -22.422 15.736 1.00 31.65 N ATOM 1180 HE ARG A 594 1.481 -20.178 16.275 1.00 0.00 H ATOM 1181 HH12 ARG A 594 0.725 -24.184 16.444 1.00 0.00 H ATOM 1182 HH11 ARG A 594 -0.499 -23.028 17.084 1.00 0.00 H ATOM 1183 HH22 ARG A 594 2.692 -23.398 15.548 1.00 0.00 H ATOM 1184 HH21 ARG A 594 3.006 -21.625 15.487 1.00 0.00 H ATOM 1185 H ARG A 594 -3.520 -18.358 14.979 1.00 0.00 H ATOM 1186 N VAL A 595 0.134 -17.308 13.472 1.00 8.53 N ATOM 1187 CA VAL A 595 0.477 -16.636 12.226 1.00 8.50 C ATOM 1188 C VAL A 595 1.856 -17.068 11.762 1.00 8.43 C ATOM 1189 O VAL A 595 2.792 -17.221 12.563 1.00 9.85 O ATOM 1190 CB VAL A 595 0.388 -15.107 12.399 1.00 11.67 C ATOM 1191 CG1 VAL A 595 1.235 -14.668 13.520 1.00 16.12 C ATOM 1192 CG2 VAL A 595 0.735 -14.381 11.129 1.00 12.63 C ATOM 1193 H VAL A 595 0.888 -17.562 14.142 1.00 0.00 H ATOM 1194 N THR A 596 1.986 -17.231 10.446 1.00 8.32 N ATOM 1195 CA THR A 596 3.282 -17.423 9.831 1.00 8.60 C ATOM 1196 C THR A 596 3.366 -16.596 8.564 1.00 8.35 C ATOM 1197 O THR A 596 2.385 -16.443 7.828 1.00 8.08 O ATOM 1198 CB THR A 596 3.577 -18.895 9.495 1.00 9.13 C ATOM 1199 OG1 THR A 596 4.884 -18.986 8.887 1.00 9.99 O ATOM 1200 CG2 THR A 596 2.548 -19.501 8.557 1.00 9.65 C ATOM 1201 HG1 THR A 596 4.900 -18.444 8.058 1.00 0.00 H ATOM 1202 H THR A 596 1.136 -17.220 9.847 1.00 0.00 H ATOM 1203 N VAL A 597 4.564 -16.086 8.308 1.00 8.56 N ATOM 1204 CA VAL A 597 4.872 -15.520 7.010 1.00 8.54 C ATOM 1205 C VAL A 597 4.848 -16.611 5.966 1.00 9.80 C ATOM 1206 O VAL A 597 5.150 -17.782 6.237 1.00 9.17 O ATOM 1207 CB VAL A 597 6.244 -14.835 7.056 1.00 8.88 C ATOM 1208 CG1 VAL A 597 6.722 -14.460 5.663 1.00 10.47 C ATOM 1209 CG2 VAL A 597 6.185 -13.629 7.939 1.00 10.10 C ATOM 1210 H VAL A 597 5.293 -16.093 9.050 1.00 0.00 H ATOM 1211 N CYS A 598 4.500 -16.219 4.758 1.00 8.71 N ATOM 1212 CA CYS A 598 4.653 -17.111 3.626 1.00 9.73 C ATOM 1213 C CYS A 598 5.201 -16.345 2.431 1.00 9.30 C ATOM 1214 O CYS A 598 5.276 -15.102 2.417 1.00 9.50 O ATOM 1215 CB CYS A 598 3.342 -17.811 3.303 1.00 15.91 C ATOM 1216 SG CYS A 598 1.933 -16.750 2.987 1.00 18.80 S ATOM 1217 H CYS A 598 4.113 -15.264 4.615 1.00 0.00 H ATOM 1218 N SER A 599 5.688 -17.122 1.471 1.00 10.77 N ATOM 1219 CA SER A 599 6.203 -16.551 0.239 1.00 10.20 C ATOM 1220 C SER A 599 5.676 -17.373 -0.925 1.00 12.25 C ATOM 1221 O SER A 599 5.390 -18.571 -0.784 1.00 13.91 O ATOM 1222 CB SER A 599 7.732 -16.518 0.207 1.00 18.89 C ATOM 1223 OG SER A 599 8.271 -17.814 0.200 1.00 23.49 O ATOM 1224 HG SER A 599 7.949 -18.300 -0.601 1.00 0.00 H ATOM 1225 H SER A 599 5.701 -18.154 1.603 1.00 0.00 H ATOM 1226 N PHE A 600 5.498 -16.706 -2.064 1.00 9.93 N ATOM 1227 CA PHE A 600 4.989 -17.322 -3.290 1.00 9.25 C ATOM 1228 C PHE A 600 6.083 -17.240 -4.346 1.00 10.04 C ATOM 1229 O PHE A 600 6.398 -16.145 -4.815 1.00 11.85 O ATOM 1230 CB PHE A 600 3.725 -16.620 -3.770 1.00 10.54 C ATOM 1231 CG PHE A 600 2.661 -16.567 -2.746 1.00 10.00 C ATOM 1232 CD1 PHE A 600 1.843 -17.670 -2.512 1.00 10.80 C ATOM 1233 CD2 PHE A 600 2.479 -15.427 -1.989 1.00 10.03 C ATOM 1234 CE1 PHE A 600 0.853 -17.625 -1.537 1.00 11.31 C ATOM 1235 CE2 PHE A 600 1.494 -15.384 -0.991 1.00 11.91 C ATOM 1236 CZ PHE A 600 0.670 -16.468 -0.776 1.00 10.51 C ATOM 1237 H PHE A 600 5.733 -15.693 -2.083 1.00 0.00 H ATOM 1238 N ASP A 601 6.641 -18.393 -4.729 1.00 9.82 N ATOM 1239 CA ASP A 601 7.807 -18.397 -5.606 1.00 10.56 C ATOM 1240 C ASP A 601 7.588 -17.589 -6.876 1.00 12.04 C ATOM 1241 O ASP A 601 8.505 -16.892 -7.332 1.00 13.33 O ATOM 1242 CB ASP A 601 8.197 -19.814 -5.997 1.00 12.96 C ATOM 1243 CG ASP A 601 8.844 -20.564 -4.890 1.00 15.94 C ATOM 1244 OD1 ASP A 601 8.781 -20.119 -3.725 1.00 20.06 O ATOM 1245 OD2 ASP A 601 9.389 -21.637 -5.186 1.00 17.93 O ATOM 1246 H ASP A 601 6.241 -19.294 -4.399 1.00 0.00 H ATOM 1247 N ASP A 602 6.414 -17.716 -7.500 1.00 11.33 N ATOM 1248 CA ASP A 602 6.124 -17.069 -8.776 1.00 11.33 C ATOM 1249 C ASP A 602 5.112 -15.952 -8.628 1.00 12.58 C ATOM 1250 O ASP A 602 4.590 -15.445 -9.633 1.00 15.92 O ATOM 1251 CB ASP A 602 5.630 -18.120 -9.762 1.00 13.15 C ATOM 1252 CG ASP A 602 6.686 -19.175 -10.057 1.00 13.65 C ATOM 1253 OD1 ASP A 602 7.910 -18.851 -10.018 1.00 15.31 O ATOM 1254 OD2 ASP A 602 6.310 -20.332 -10.339 1.00 16.90 O ATOM 1255 H ASP A 602 5.676 -18.300 -7.058 1.00 0.00 H ATOM 1256 N GLY A 603 4.843 -15.540 -7.399 1.00 11.96 N ATOM 1257 CA GLY A 603 3.812 -14.569 -7.128 1.00 11.45 C ATOM 1258 C GLY A 603 2.431 -15.155 -7.299 1.00 11.81 C ATOM 1259 O GLY A 603 2.266 -16.272 -7.784 1.00 13.34 O ATOM 1260 H GLY A 603 5.392 -15.928 -6.605 1.00 0.00 H ATOM 1261 N VAL A 604 1.423 -14.388 -6.898 1.00 10.11 N ATOM 1262 CA VAL A 604 0.022 -14.692 -7.169 1.00 9.48 C ATOM 1263 C VAL A 604 -0.525 -13.553 -8.011 1.00 10.89 C ATOM 1264 O VAL A 604 -0.488 -12.394 -7.587 1.00 11.73 O ATOM 1265 CB VAL A 604 -0.796 -14.873 -5.880 1.00 10.84 C ATOM 1266 CG1 VAL A 604 -2.261 -15.157 -6.203 1.00 11.89 C ATOM 1267 CG2 VAL A 604 -0.189 -15.994 -5.044 1.00 11.95 C ATOM 1268 H VAL A 604 1.644 -13.525 -6.362 1.00 0.00 H ATOM 1269 N ASP A 605 -1.040 -13.885 -9.200 1.00 9.93 N ATOM 1270 CA ASP A 605 -1.607 -12.906 -10.126 1.00 10.61 C ATOM 1271 C ASP A 605 -3.044 -12.621 -9.714 1.00 12.90 C ATOM 1272 O ASP A 605 -4.003 -13.128 -10.291 1.00 12.63 O ATOM 1273 CB ASP A 605 -1.541 -13.429 -11.556 1.00 11.86 C ATOM 1274 CG ASP A 605 -1.899 -12.392 -12.576 1.00 24.87 C ATOM 1275 OD1 ASP A 605 -2.011 -11.202 -12.207 1.00 29.33 O ATOM 1276 OD2 ASP A 605 -2.053 -12.782 -13.758 1.00 29.55 O ATOM 1277 H ASP A 605 -1.037 -14.887 -9.479 1.00 0.00 H ATOM 1278 N LEU A 606 -3.194 -11.773 -8.701 1.00 10.28 N ATOM 1279 CA LEU A 606 -4.520 -11.399 -8.243 1.00 9.42 C ATOM 1280 C LEU A 606 -5.267 -10.643 -9.338 1.00 11.37 C ATOM 1281 O LEU A 606 -4.658 -9.833 -10.061 1.00 12.63 O ATOM 1282 CB LEU A 606 -4.447 -10.534 -6.993 1.00 8.84 C ATOM 1283 CG LEU A 606 -3.869 -11.208 -5.762 1.00 9.08 C ATOM 1284 CD1 LEU A 606 -3.769 -10.176 -4.620 1.00 8.60 C ATOM 1285 CD2 LEU A 606 -4.684 -12.415 -5.290 1.00 9.00 C ATOM 1286 H LEU A 606 -2.355 -11.375 -8.233 1.00 0.00 H ATOM 1287 N PRO A 607 -6.584 -10.838 -9.462 1.00 10.37 N ATOM 1288 CA PRO A 607 -7.322 -10.292 -10.612 1.00 11.41 C ATOM 1289 C PRO A 607 -7.676 -8.809 -10.519 1.00 16.56 C ATOM 1290 O PRO A 607 -8.295 -8.305 -11.480 1.00 18.97 O ATOM 1291 CB PRO A 607 -8.597 -11.129 -10.620 1.00 13.03 C ATOM 1292 CG PRO A 607 -8.782 -11.512 -9.165 1.00 11.91 C ATOM 1293 CD PRO A 607 -7.396 -11.770 -8.663 1.00 10.95 C ATOM 1294 OXT PRO A 607 -7.400 -8.114 -9.534 1.00 15.21 O TER 1295 PRO A 607 ATOM 1296 N SER B 474 -16.168 -44.731 -8.575 1.00 52.04 N ATOM 1297 CA SER B 474 -17.498 -44.338 -9.011 1.00 50.94 C ATOM 1298 C SER B 474 -17.522 -42.880 -9.449 1.00 40.92 C ATOM 1299 O SER B 474 -18.599 -42.322 -9.816 1.00 37.26 O ATOM 1300 CB SER B 474 -18.482 -44.529 -7.804 1.00 52.89 C ATOM 1301 OG SER B 474 -17.967 -44.041 -6.570 1.00 58.17 O ATOM 1302 HG SER B 474 -18.633 -44.191 -5.853 1.00 0.00 H ATOM 1303 HN3 SER B 474 -15.878 -44.137 -7.772 1.00 0.00 H ATOM 1304 HN2 SER B 474 -15.497 -44.607 -9.360 1.00 0.00 H ATOM 1305 HN1 SER B 474 -16.181 -45.729 -8.282 1.00 0.00 H ATOM 1306 N ASN B 475 -16.407 -42.149 -9.257 1.00 30.87 N ATOM 1307 CA ASN B 475 -16.282 -40.752 -9.687 1.00 26.62 C ATOM 1308 C ASN B 475 -15.261 -40.718 -10.816 1.00 30.64 C ATOM 1309 O ASN B 475 -14.097 -40.338 -10.604 1.00 25.74 O ATOM 1310 CB ASN B 475 -15.887 -39.824 -8.541 1.00 23.93 C ATOM 1311 CG ASN B 475 -16.896 -39.831 -7.420 1.00 22.47 C ATOM 1312 OD1 ASN B 475 -18.106 -39.895 -7.644 1.00 25.27 O ATOM 1313 ND2 ASN B 475 -16.394 -39.795 -6.193 1.00 28.33 N ATOM 1314 HD22 ASN B 475 -15.365 -39.741 -6.054 1.00 0.00 H ATOM 1315 HD21 ASN B 475 -17.030 -39.821 -5.370 1.00 0.00 H ATOM 1316 H ASN B 475 -15.597 -42.596 -8.782 1.00 0.00 H ATOM 1317 N PRO B 476 -15.675 -41.046 -12.049 1.00 28.69 N ATOM 1318 CA PRO B 476 -14.670 -41.186 -13.119 1.00 27.26 C ATOM 1319 C PRO B 476 -13.931 -39.892 -13.409 1.00 24.64 C ATOM 1320 O PRO B 476 -12.730 -39.917 -13.715 1.00 25.45 O ATOM 1321 CB PRO B 476 -15.491 -41.676 -14.322 1.00 40.73 C ATOM 1322 CG PRO B 476 -16.890 -41.217 -14.046 1.00 42.93 C ATOM 1323 CD PRO B 476 -17.053 -41.247 -12.547 1.00 26.90 C ATOM 1324 N LYS B 477 -14.613 -38.750 -13.314 1.00 20.83 N ATOM 1325 CA LYS B 477 -13.949 -37.475 -13.541 1.00 20.79 C ATOM 1326 C LYS B 477 -12.793 -37.286 -12.560 1.00 19.63 C ATOM 1327 O LYS B 477 -11.657 -37.007 -12.968 1.00 20.53 O ATOM 1328 CB LYS B 477 -14.957 -36.330 -13.418 1.00 30.96 C ATOM 1329 CG LYS B 477 -14.367 -34.966 -13.710 1.00 34.28 C ATOM 1330 CD LYS B 477 -14.357 -34.692 -15.204 1.00 51.41 C ATOM 1331 CE LYS B 477 -13.129 -33.890 -15.621 1.00 39.74 C ATOM 1332 NZ LYS B 477 -13.472 -32.452 -15.812 1.00 55.68 N ATOM 1333 HZ1 LYS B 477 -14.196 -32.365 -16.553 1.00 0.00 H ATOM 1334 HZ2 LYS B 477 -13.839 -32.063 -14.920 1.00 0.00 H ATOM 1335 HZ3 LYS B 477 -12.619 -31.928 -16.095 1.00 0.00 H ATOM 1336 H LYS B 477 -15.625 -38.771 -13.076 1.00 0.00 H ATOM 1337 N PHE B 478 -13.053 -37.440 -11.258 1.00 16.57 N ATOM 1338 CA PHE B 478 -11.982 -37.218 -10.283 1.00 15.02 C ATOM 1339 C PHE B 478 -10.889 -38.272 -10.427 1.00 15.96 C ATOM 1340 O PHE B 478 -9.702 -37.959 -10.274 1.00 15.90 O ATOM 1341 CB PHE B 478 -12.525 -37.214 -8.846 1.00 15.29 C ATOM 1342 CG PHE B 478 -13.741 -36.340 -8.649 1.00 15.22 C ATOM 1343 CD1 PHE B 478 -13.900 -35.164 -9.371 1.00 14.35 C ATOM 1344 CD2 PHE B 478 -14.726 -36.701 -7.748 1.00 17.82 C ATOM 1345 CE1 PHE B 478 -15.016 -34.378 -9.199 1.00 15.82 C ATOM 1346 CE2 PHE B 478 -15.859 -35.917 -7.586 1.00 19.72 C ATOM 1347 CZ PHE B 478 -15.996 -34.756 -8.316 1.00 16.03 C ATOM 1348 H PHE B 478 -14.005 -37.714 -10.941 1.00 0.00 H ATOM 1349 N GLU B 479 -11.266 -39.524 -10.720 1.00 17.55 N ATOM 1350 CA GLU B 479 -10.271 -40.583 -10.879 1.00 18.66 C ATOM 1351 C GLU B 479 -9.425 -40.367 -12.129 1.00 18.93 C ATOM 1352 O GLU B 479 -8.228 -40.682 -12.126 1.00 18.29 O ATOM 1353 CB GLU B 479 -10.947 -41.958 -10.908 1.00 23.74 C ATOM 1354 CG GLU B 479 -11.669 -42.324 -9.616 1.00 32.13 C ATOM 1355 CD GLU B 479 -10.720 -42.726 -8.481 1.00 48.94 C ATOM 1356 OE1 GLU B 479 -11.228 -43.080 -7.389 1.00 51.46 O ATOM 1357 OE2 GLU B 479 -9.478 -42.693 -8.675 1.00 45.09 O ATOM 1358 H GLU B 479 -12.276 -39.744 -10.835 1.00 0.00 H ATOM 1359 N ASN B 480 -10.009 -39.823 -13.199 1.00 19.79 N ATOM 1360 CA ASN B 480 -9.223 -39.587 -14.406 1.00 20.59 C ATOM 1361 C ASN B 480 -8.201 -38.473 -14.184 1.00 18.74 C ATOM 1362 O ASN B 480 -7.085 -38.536 -14.719 1.00 19.91 O ATOM 1363 CB ASN B 480 -10.159 -39.287 -15.583 1.00 18.85 C ATOM 1364 CG ASN B 480 -10.883 -40.534 -16.073 1.00 22.38 C ATOM 1365 OD1 ASN B 480 -10.438 -41.657 -15.821 1.00 23.54 O ATOM 1366 ND2 ASN B 480 -11.997 -40.345 -16.775 1.00 22.45 N ATOM 1367 HD22 ASN B 480 -12.335 -39.380 -16.964 1.00 0.00 H ATOM 1368 HD21 ASN B 480 -12.530 -41.162 -17.135 1.00 0.00 H ATOM 1369 H ASN B 480 -11.017 -39.569 -13.173 1.00 0.00 H ATOM 1370 N ILE B 481 -8.543 -37.465 -13.376 1.00 15.45 N ATOM 1371 CA ILE B 481 -7.572 -36.426 -13.030 1.00 13.33 C ATOM 1372 C ILE B 481 -6.495 -37.006 -12.130 1.00 14.61 C ATOM 1373 O ILE B 481 -5.297 -36.764 -12.329 1.00 16.64 O ATOM 1374 CB ILE B 481 -8.292 -35.235 -12.367 1.00 14.71 C ATOM 1375 CG1 ILE B 481 -9.254 -34.559 -13.359 1.00 15.45 C ATOM 1376 CG2 ILE B 481 -7.294 -34.232 -11.819 1.00 16.48 C ATOM 1377 CD1 ILE B 481 -10.228 -33.575 -12.724 1.00 16.71 C ATOM 1378 H ILE B 481 -9.507 -37.418 -12.990 1.00 0.00 H ATOM 1379 N ALA B 482 -6.903 -37.806 -11.151 1.00 14.55 N ATOM 1380 CA ALA B 482 -5.928 -38.493 -10.311 1.00 14.51 C ATOM 1381 C ALA B 482 -4.940 -39.292 -11.144 1.00 17.21 C ATOM 1382 O ALA B 482 -3.737 -39.277 -10.872 1.00 16.58 O ATOM 1383 CB ALA B 482 -6.638 -39.412 -9.316 1.00 15.81 C ATOM 1384 H ALA B 482 -7.920 -37.943 -10.983 1.00 0.00 H ATOM 1385 N GLU B 483 -5.429 -40.037 -12.140 1.00 16.82 N ATOM 1386 CA GLU B 483 -4.538 -40.846 -12.961 1.00 20.07 C ATOM 1387 C GLU B 483 -3.612 -39.973 -13.794 1.00 17.66 C ATOM 1388 O GLU B 483 -2.434 -40.302 -13.970 1.00 19.51 O ATOM 1389 CB GLU B 483 -5.372 -41.783 -13.837 1.00 20.54 C ATOM 1390 CG GLU B 483 -5.408 -43.215 -13.304 1.00 46.65 C ATOM 1391 CD GLU B 483 -4.026 -43.761 -12.975 1.00 43.31 C ATOM 1392 OE1 GLU B 483 -3.130 -43.681 -13.840 1.00 53.41 O ATOM 1393 OE2 GLU B 483 -3.836 -44.238 -11.831 1.00 48.66 O ATOM 1394 H GLU B 483 -6.451 -40.039 -12.330 1.00 0.00 H ATOM 1395 N GLY B 484 -4.109 -38.838 -14.276 1.00 16.91 N ATOM 1396 CA GLY B 484 -3.248 -37.950 -15.025 1.00 16.58 C ATOM 1397 C GLY B 484 -2.139 -37.396 -14.158 1.00 17.89 C ATOM 1398 O GLY B 484 -0.987 -37.304 -14.586 1.00 17.79 O ATOM 1399 H GLY B 484 -5.107 -38.591 -14.116 1.00 0.00 H ATOM 1400 N LEU B 485 -2.477 -37.019 -12.922 1.00 16.31 N ATOM 1401 CA LEU B 485 -1.469 -36.520 -12.000 1.00 15.62 C ATOM 1402 C LEU B 485 -0.484 -37.618 -11.632 1.00 16.64 C ATOM 1403 O LEU B 485 0.729 -37.388 -11.604 1.00 17.89 O ATOM 1404 CB LEU B 485 -2.131 -35.962 -10.737 1.00 15.59 C ATOM 1405 CG LEU B 485 -2.800 -34.597 -10.843 1.00 16.05 C ATOM 1406 CD1 LEU B 485 -3.530 -34.342 -9.517 1.00 18.46 C ATOM 1407 CD2 LEU B 485 -1.800 -33.507 -11.126 1.00 18.85 C ATOM 1408 H LEU B 485 -3.469 -37.083 -12.616 1.00 0.00 H ATOM 1409 N ARG B 486 -0.987 -38.820 -11.339 1.00 16.85 N ATOM 1410 CA ARG B 486 -0.106 -39.917 -10.955 1.00 19.45 C ATOM 1411 C ARG B 486 0.881 -40.248 -12.059 1.00 17.71 C ATOM 1412 O ARG B 486 2.050 -40.531 -11.784 1.00 22.35 O ATOM 1413 CB ARG B 486 -0.926 -41.151 -10.584 1.00 21.95 C ATOM 1414 CG ARG B 486 -1.525 -41.073 -9.190 1.00 24.37 C ATOM 1415 CD ARG B 486 -1.954 -42.447 -8.686 1.00 38.55 C ATOM 1416 NE ARG B 486 -3.061 -42.350 -7.746 1.00 32.52 N ATOM 1417 CZ ARG B 486 -4.342 -42.492 -8.073 1.00 28.97 C ATOM 1418 NH1 ARG B 486 -4.675 -42.766 -9.324 1.00 38.92 N ATOM 1419 NH2 ARG B 486 -5.296 -42.377 -7.150 1.00 33.60 N ATOM 1420 HE ARG B 486 -2.834 -42.156 -6.750 1.00 0.00 H ATOM 1421 HH12 ARG B 486 -5.676 -42.878 -9.583 1.00 0.00 H ATOM 1422 HH11 ARG B 486 -3.936 -42.870 -10.048 1.00 0.00 H ATOM 1423 HH22 ARG B 486 -6.295 -42.490 -7.417 1.00 0.00 H ATOM 1424 HH21 ARG B 486 -5.042 -42.174 -6.162 1.00 0.00 H ATOM 1425 H ARG B 486 -2.014 -38.975 -11.385 1.00 0.00 H ATOM 1426 N ALA B 487 0.434 -40.219 -13.314 1.00 18.82 N ATOM 1427 CA ALA B 487 1.334 -40.512 -14.423 1.00 20.76 C ATOM 1428 C ALA B 487 2.478 -39.506 -14.474 1.00 20.52 C ATOM 1429 O ALA B 487 3.629 -39.872 -14.746 1.00 23.31 O ATOM 1430 CB ALA B 487 0.546 -40.513 -15.729 1.00 22.14 C ATOM 1431 H ALA B 487 -0.562 -39.986 -13.503 1.00 0.00 H ATOM 1432 N LEU B 488 2.179 -38.233 -14.204 1.00 18.35 N ATOM 1433 CA LEU B 488 3.210 -37.204 -14.229 1.00 19.22 C ATOM 1434 C LEU B 488 4.102 -37.290 -12.995 1.00 19.85 C ATOM 1435 O LEU B 488 5.329 -37.155 -13.095 1.00 21.67 O ATOM 1436 CB LEU B 488 2.554 -35.827 -14.352 1.00 18.60 C ATOM 1437 CG LEU B 488 1.925 -35.497 -15.715 1.00 18.54 C ATOM 1438 CD1 LEU B 488 0.838 -34.413 -15.562 1.00 21.30 C ATOM 1439 CD2 LEU B 488 3.015 -35.083 -16.727 1.00 20.31 C ATOM 1440 H LEU B 488 1.199 -37.973 -13.973 1.00 0.00 H ATOM 1441 N LEU B 489 3.506 -37.517 -11.827 1.00 19.37 N ATOM 1442 CA LEU B 489 4.267 -37.619 -10.593 1.00 19.98 C ATOM 1443 C LEU B 489 5.123 -38.874 -10.547 1.00 21.89 C ATOM 1444 O LEU B 489 6.084 -38.922 -9.771 1.00 23.12 O ATOM 1445 CB LEU B 489 3.305 -37.589 -9.411 1.00 19.19 C ATOM 1446 CG LEU B 489 2.493 -36.320 -9.162 1.00 18.36 C ATOM 1447 CD1 LEU B 489 1.448 -36.620 -8.123 1.00 19.46 C ATOM 1448 CD2 LEU B 489 3.397 -35.206 -8.733 1.00 20.97 C ATOM 1449 H LEU B 489 2.472 -37.624 -11.797 1.00 0.00 H ATOM 1450 N ALA B 490 4.784 -39.889 -11.344 1.00 25.90 N ATOM 1451 CA ALA B 490 5.560 -41.123 -11.370 1.00 32.43 C ATOM 1452 C ALA B 490 6.971 -40.904 -11.892 1.00 30.26 C ATOM 1453 O ALA B 490 7.848 -41.739 -11.642 1.00 33.01 O ATOM 1454 CB ALA B 490 4.859 -42.180 -12.230 1.00 38.71 C ATOM 1455 H ALA B 490 3.950 -39.798 -11.959 1.00 0.00 H ATOM 1456 N ARG B 491 7.210 -39.810 -12.619 1.00 36.07 N ATOM 1457 CA ARG B 491 8.540 -39.524 -13.144 1.00 40.61 C ATOM 1458 C ARG B 491 9.513 -39.105 -12.053 1.00 33.42 C ATOM 1459 O ARG B 491 10.720 -39.043 -12.307 1.00 37.96 O ATOM 1460 CB ARG B 491 8.467 -38.411 -14.195 1.00 45.43 C ATOM 1461 CG ARG B 491 7.241 -38.431 -15.111 1.00 54.16 C ATOM 1462 CD ARG B 491 7.192 -37.181 -16.020 1.00 51.51 C ATOM 1463 NE ARG B 491 6.380 -36.094 -15.467 1.00 50.12 N ATOM 1464 CZ ARG B 491 6.752 -34.820 -15.434 1.00 43.76 C ATOM 1465 NH1 ARG B 491 7.935 -34.457 -15.919 1.00 53.61 N ATOM 1466 NH2 ARG B 491 5.946 -33.906 -14.908 1.00 54.30 N ATOM 1467 HE ARG B 491 5.449 -36.337 -15.073 1.00 0.00 H ATOM 1468 HH12 ARG B 491 8.224 -33.458 -15.892 1.00 0.00 H ATOM 1469 HH11 ARG B 491 8.572 -35.172 -16.326 1.00 0.00 H ATOM 1470 HH22 ARG B 491 6.238 -32.908 -14.882 1.00 0.00 H ATOM 1471 HH21 ARG B 491 5.023 -34.188 -14.521 1.00 0.00 H ATOM 1472 H ARG B 491 6.432 -39.148 -12.815 1.00 0.00 H ATOM 1473 N SER B 492 9.023 -38.819 -10.853 1.00 26.34 N ATOM 1474 CA SER B 492 9.857 -38.348 -9.764 1.00 28.19 C ATOM 1475 C SER B 492 9.750 -39.309 -8.589 1.00 32.22 C ATOM 1476 O SER B 492 8.734 -39.988 -8.407 1.00 36.63 O ATOM 1477 CB SER B 492 9.447 -36.946 -9.329 1.00 31.01 C ATOM 1478 OG SER B 492 10.147 -35.965 -10.078 1.00 43.18 O ATOM 1479 HG SER B 492 11.120 -36.074 -9.934 1.00 0.00 H ATOM 1480 H SER B 492 8.003 -38.937 -10.688 1.00 0.00 H ATOM 1481 N HIS B 493 10.812 -39.367 -7.798 1.00 26.86 N ATOM 1482 CA HIS B 493 10.840 -40.210 -6.616 1.00 26.76 C ATOM 1483 C HIS B 493 11.305 -39.420 -5.406 1.00 31.34 C ATOM 1484 O HIS B 493 11.978 -39.954 -4.522 1.00 35.00 O ATOM 1485 CB HIS B 493 11.727 -41.430 -6.853 1.00 32.94 C ATOM 1486 CG HIS B 493 11.180 -42.376 -7.873 1.00 46.81 C ATOM 1487 ND1 HIS B 493 11.429 -42.243 -9.223 1.00 54.06 N ATOM 1488 CD2 HIS B 493 10.386 -43.466 -7.741 1.00 50.42 C ATOM 1489 CE1 HIS B 493 10.815 -43.213 -9.878 1.00 49.52 C ATOM 1490 NE2 HIS B 493 10.179 -43.970 -9.002 1.00 56.32 N ATOM 1491 H HIS B 493 11.648 -38.793 -8.030 1.00 0.00 H ATOM 1492 N VAL B 494 10.920 -38.147 -5.322 1.00 20.54 N ATOM 1493 CA VAL B 494 11.368 -37.325 -4.209 1.00 18.90 C ATOM 1494 C VAL B 494 10.507 -37.599 -2.982 1.00 20.38 C ATOM 1495 O VAL B 494 9.356 -38.037 -3.071 1.00 18.77 O ATOM 1496 CB VAL B 494 11.362 -35.822 -4.558 1.00 19.45 C ATOM 1497 CG1 VAL B 494 12.177 -35.564 -5.832 1.00 21.38 C ATOM 1498 CG2 VAL B 494 9.946 -35.288 -4.702 1.00 17.49 C ATOM 1499 H VAL B 494 10.300 -37.742 -6.052 1.00 0.00 H ATOM 1500 N GLU B 495 11.075 -37.320 -1.815 1.00 17.88 N ATOM 1501 CA GLU B 495 10.380 -37.576 -0.562 1.00 18.29 C ATOM 1502 C GLU B 495 9.169 -36.659 -0.412 1.00 15.62 C ATOM 1503 O GLU B 495 9.234 -35.457 -0.685 1.00 14.63 O ATOM 1504 CB GLU B 495 11.319 -37.368 0.624 1.00 20.77 C ATOM 1505 CG GLU B 495 12.529 -38.289 0.653 1.00 20.67 C ATOM 1506 CD GLU B 495 12.143 -39.718 0.953 1.00 39.31 C ATOM 1507 OE1 GLU B 495 11.152 -39.925 1.690 1.00 43.53 O ATOM 1508 OE2 GLU B 495 12.822 -40.636 0.454 1.00 42.90 O ATOM 1509 H GLU B 495 12.031 -36.912 -1.796 1.00 0.00 H ATOM 1510 N ARG B 496 8.056 -37.241 0.037 1.00 14.63 N ATOM 1511 CA ARG B 496 6.823 -36.503 0.242 1.00 12.95 C ATOM 1512 C ARG B 496 6.544 -36.202 1.706 1.00 12.60 C ATOM 1513 O ARG B 496 5.697 -35.340 1.998 1.00 13.12 O ATOM 1514 CB ARG B 496 5.632 -37.295 -0.305 1.00 13.53 C ATOM 1515 CG ARG B 496 5.668 -37.531 -1.799 1.00 14.18 C ATOM 1516 CD ARG B 496 4.439 -38.272 -2.267 1.00 15.02 C ATOM 1517 NE ARG B 496 4.489 -38.529 -3.709 1.00 16.27 N ATOM 1518 CZ ARG B 496 3.452 -38.927 -4.423 1.00 17.01 C ATOM 1519 NH1 ARG B 496 2.282 -39.122 -3.841 1.00 20.08 N ATOM 1520 NH2 ARG B 496 3.585 -39.122 -5.726 1.00 19.32 N ATOM 1521 HE ARG B 496 5.396 -38.390 -4.199 1.00 0.00 H ATOM 1522 HH12 ARG B 496 1.466 -39.435 -4.405 1.00 0.00 H ATOM 1523 HH11 ARG B 496 2.177 -38.962 -2.819 1.00 0.00 H ATOM 1524 HH22 ARG B 496 2.770 -39.435 -6.291 1.00 0.00 H ATOM 1525 HH21 ARG B 496 4.505 -38.962 -6.185 1.00 0.00 H ATOM 1526 H ARG B 496 8.072 -38.259 0.248 1.00 0.00 H ATOM 1527 N THR B 497 7.205 -36.907 2.615 1.00 13.63 N ATOM 1528 CA THR B 497 7.008 -36.740 4.039 1.00 12.82 C ATOM 1529 C THR B 497 8.357 -36.585 4.717 1.00 14.07 C ATOM 1530 O THR B 497 9.412 -36.902 4.157 1.00 15.58 O ATOM 1531 CB THR B 497 6.246 -37.927 4.640 1.00 15.43 C ATOM 1532 OG1 THR B 497 6.999 -39.132 4.448 1.00 20.80 O ATOM 1533 CG2 THR B 497 4.889 -38.068 3.962 1.00 20.69 C ATOM 1534 HG1 THR B 497 6.503 -39.895 4.838 1.00 0.00 H ATOM 1535 H THR B 497 7.897 -37.612 2.289 1.00 0.00 H ATOM 1536 N THR B 498 8.303 -36.095 5.950 1.00 10.60 N ATOM 1537 CA THR B 498 9.476 -36.011 6.792 1.00 12.53 C ATOM 1538 C THR B 498 9.169 -36.617 8.157 1.00 11.61 C ATOM 1539 O THR B 498 8.014 -36.723 8.575 1.00 12.07 O ATOM 1540 CB THR B 498 9.912 -34.571 7.000 1.00 11.72 C ATOM 1541 OG1 THR B 498 8.892 -33.926 7.770 1.00 12.03 O ATOM 1542 CG2 THR B 498 10.085 -33.828 5.692 1.00 13.62 C ATOM 1543 HG1 THR B 498 9.145 -32.981 7.925 1.00 0.00 H ATOM 1544 H THR B 498 7.390 -35.762 6.321 1.00 0.00 H ATOM 1545 N ASP B 499 10.231 -36.966 8.877 1.00 11.88 N ATOM 1546 CA ASP B 499 10.053 -37.425 10.256 1.00 11.81 C ATOM 1547 C ASP B 499 9.454 -36.335 11.137 1.00 12.62 C ATOM 1548 O ASP B 499 8.718 -36.629 12.091 1.00 14.15 O ATOM 1549 CB ASP B 499 11.383 -37.872 10.850 1.00 12.54 C ATOM 1550 CG ASP B 499 11.207 -38.535 12.192 1.00 13.18 C ATOM 1551 OD1 ASP B 499 10.394 -39.478 12.258 1.00 16.01 O ATOM 1552 OD2 ASP B 499 11.861 -38.112 13.169 1.00 15.21 O ATOM 1553 H ASP B 499 11.183 -36.913 8.463 1.00 0.00 H ATOM 1554 N GLU B 500 9.768 -35.075 10.852 1.00 11.56 N ATOM 1555 CA GLU B 500 9.189 -33.971 11.607 1.00 11.40 C ATOM 1556 C GLU B 500 7.686 -33.873 11.393 1.00 13.06 C ATOM 1557 O GLU B 500 6.947 -33.485 12.314 1.00 14.42 O ATOM 1558 CB GLU B 500 9.862 -32.662 11.188 1.00 17.04 C ATOM 1559 CG GLU B 500 11.284 -32.468 11.679 1.00 20.73 C ATOM 1560 CD GLU B 500 12.318 -33.368 10.987 1.00 18.89 C ATOM 1561 OE1 GLU B 500 12.075 -33.702 9.782 1.00 19.12 O ATOM 1562 OE2 GLU B 500 13.350 -33.725 11.650 1.00 20.26 O ATOM 1563 H GLU B 500 10.436 -34.874 10.080 1.00 0.00 H ATOM 1564 N GLY B 501 7.225 -34.153 10.172 1.00 12.06 N ATOM 1565 CA GLY B 501 5.812 -34.141 9.850 1.00 13.36 C ATOM 1566 C GLY B 501 5.208 -32.770 9.769 1.00 13.42 C ATOM 1567 O GLY B 501 3.976 -32.645 9.775 1.00 17.09 O ATOM 1568 H GLY B 501 7.906 -34.389 9.423 1.00 0.00 H ATOM 1569 N THR B 502 6.029 -31.735 9.680 1.00 11.26 N ATOM 1570 CA THR B 502 5.532 -30.365 9.658 1.00 10.89 C ATOM 1571 C THR B 502 5.154 -29.905 8.252 1.00 11.73 C ATOM 1572 O THR B 502 5.715 -30.349 7.243 1.00 10.87 O ATOM 1573 CB THR B 502 6.586 -29.446 10.236 1.00 12.74 C ATOM 1574 OG1 THR B 502 7.832 -29.784 9.625 1.00 14.53 O ATOM 1575 CG2 THR B 502 6.672 -29.637 11.720 1.00 14.81 C ATOM 1576 HG1 THR B 502 8.544 -29.198 9.984 1.00 0.00 H ATOM 1577 H THR B 502 7.054 -31.904 9.624 1.00 0.00 H ATOM 1578 N TRP B 503 4.174 -28.996 8.200 1.00 9.34 N ATOM 1579 CA TRP B 503 3.561 -28.533 6.942 1.00 8.65 C ATOM 1580 C TRP B 503 4.265 -27.228 6.592 1.00 10.10 C ATOM 1581 O TRP B 503 3.857 -26.146 7.020 1.00 11.38 O ATOM 1582 CB TRP B 503 2.034 -28.387 7.085 1.00 8.59 C ATOM 1583 CG TRP B 503 1.421 -29.688 7.556 1.00 9.03 C ATOM 1584 CD1 TRP B 503 1.099 -30.035 8.835 1.00 10.79 C ATOM 1585 CD2 TRP B 503 1.155 -30.842 6.753 1.00 8.23 C ATOM 1586 NE1 TRP B 503 0.653 -31.337 8.884 1.00 13.04 N ATOM 1587 CE2 TRP B 503 0.675 -31.855 7.618 1.00 9.95 C ATOM 1588 CE3 TRP B 503 1.298 -31.131 5.388 1.00 9.24 C ATOM 1589 CZ2 TRP B 503 0.326 -33.124 7.156 1.00 11.68 C ATOM 1590 CZ3 TRP B 503 0.930 -32.397 4.935 1.00 9.76 C ATOM 1591 CH2 TRP B 503 0.441 -33.365 5.818 1.00 11.14 C ATOM 1592 HE1 TRP B 503 0.350 -31.842 9.741 1.00 0.00 H ATOM 1593 H TRP B 503 3.826 -28.595 9.094 1.00 0.00 H ATOM 1594 N VAL B 504 5.335 -27.326 5.808 1.00 8.71 N ATOM 1595 CA VAL B 504 6.262 -26.215 5.622 1.00 10.02 C ATOM 1596 C VAL B 504 6.242 -25.659 4.224 1.00 9.17 C ATOM 1597 O VAL B 504 6.872 -24.616 3.977 1.00 9.82 O ATOM 1598 CB VAL B 504 7.708 -26.616 5.975 1.00 11.86 C ATOM 1599 CG1 VAL B 504 7.839 -26.965 7.450 1.00 15.37 C ATOM 1600 CG2 VAL B 504 8.163 -27.752 5.087 1.00 15.25 C ATOM 1601 H VAL B 504 5.516 -28.222 5.312 1.00 0.00 H ATOM 1602 N ALA B 505 5.570 -26.327 3.289 1.00 8.46 N ATOM 1603 CA ALA B 505 5.513 -25.913 1.904 1.00 8.63 C ATOM 1604 C ALA B 505 4.112 -26.162 1.381 1.00 9.62 C ATOM 1605 O ALA B 505 3.248 -26.723 2.056 1.00 9.34 O ATOM 1606 CB ALA B 505 6.555 -26.681 1.076 1.00 14.61 C ATOM 1607 H ALA B 505 5.061 -27.190 3.568 1.00 0.00 H ATOM 1608 N GLY B 506 3.895 -25.755 0.147 1.00 13.24 N ATOM 1609 CA GLY B 506 2.605 -26.021 -0.435 1.00 12.86 C ATOM 1610 C GLY B 506 2.598 -25.568 -1.865 1.00 10.13 C ATOM 1611 O GLY B 506 3.611 -25.126 -2.414 1.00 9.89 O ATOM 1612 H GLY B 506 4.633 -25.257 -0.390 1.00 0.00 H ATOM 1613 N VAL B 507 1.440 -25.770 -2.475 1.00 9.20 N ATOM 1614 CA VAL B 507 1.159 -25.280 -3.811 1.00 8.63 C ATOM 1615 C VAL B 507 -0.148 -24.519 -3.726 1.00 8.98 C ATOM 1616 O VAL B 507 -1.121 -24.994 -3.125 1.00 11.22 O ATOM 1617 CB VAL B 507 1.113 -26.427 -4.840 1.00 14.02 C ATOM 1618 CG1 VAL B 507 0.734 -25.941 -6.147 1.00 22.03 C ATOM 1619 CG2 VAL B 507 2.503 -27.103 -4.924 1.00 15.54 C ATOM 1620 H VAL B 507 0.700 -26.303 -1.975 1.00 0.00 H ATOM 1621 N PHE B 508 -0.141 -23.324 -4.292 1.00 7.88 N ATOM 1622 CA PHE B 508 -1.249 -22.388 -4.297 1.00 7.71 C ATOM 1623 C PHE B 508 -1.819 -22.414 -5.712 1.00 8.66 C ATOM 1624 O PHE B 508 -1.121 -22.067 -6.670 1.00 8.33 O ATOM 1625 CB PHE B 508 -0.756 -20.995 -3.900 1.00 7.74 C ATOM 1626 CG PHE B 508 -1.854 -20.022 -3.699 1.00 7.90 C ATOM 1627 CD1 PHE B 508 -2.433 -19.897 -2.464 1.00 10.30 C ATOM 1628 CD2 PHE B 508 -2.317 -19.237 -4.718 1.00 10.06 C ATOM 1629 CE1 PHE B 508 -3.472 -19.035 -2.252 1.00 11.29 C ATOM 1630 CE2 PHE B 508 -3.370 -18.352 -4.496 1.00 11.19 C ATOM 1631 CZ PHE B 508 -3.940 -18.277 -3.261 1.00 11.18 C ATOM 1632 H PHE B 508 0.732 -23.031 -4.774 1.00 0.00 H ATOM 1633 N VAL B 509 -3.054 -22.877 -5.852 1.00 7.90 N ATOM 1634 CA VAL B 509 -3.662 -23.206 -7.138 1.00 8.12 C ATOM 1635 C VAL B 509 -4.864 -22.291 -7.330 1.00 8.48 C ATOM 1636 O VAL B 509 -5.714 -22.183 -6.441 1.00 8.18 O ATOM 1637 CB VAL B 509 -4.099 -24.683 -7.183 1.00 9.23 C ATOM 1638 CG1 VAL B 509 -4.566 -25.093 -8.571 1.00 10.96 C ATOM 1639 CG2 VAL B 509 -2.993 -25.617 -6.712 1.00 10.15 C ATOM 1640 H VAL B 509 -3.624 -23.014 -4.993 1.00 0.00 H ATOM 1641 N TYR B 510 -4.970 -21.650 -8.499 1.00 8.51 N ATOM 1642 CA TYR B 510 -6.033 -20.665 -8.641 1.00 8.69 C ATOM 1643 C TYR B 510 -6.395 -20.434 -10.096 1.00 9.08 C ATOM 1644 O TYR B 510 -5.739 -20.925 -11.008 1.00 10.75 O ATOM 1645 CB TYR B 510 -5.632 -19.344 -7.973 1.00 8.58 C ATOM 1646 CG TYR B 510 -4.400 -18.651 -8.568 1.00 8.63 C ATOM 1647 CD1 TYR B 510 -3.112 -19.102 -8.297 1.00 9.19 C ATOM 1648 CD2 TYR B 510 -4.535 -17.526 -9.388 1.00 9.40 C ATOM 1649 CE1 TYR B 510 -1.985 -18.451 -8.835 1.00 8.94 C ATOM 1650 CE2 TYR B 510 -3.431 -16.874 -9.910 1.00 9.85 C ATOM 1651 CZ TYR B 510 -2.162 -17.332 -9.643 1.00 8.86 C ATOM 1652 OH TYR B 510 -1.085 -16.652 -10.180 1.00 10.59 O ATOM 1653 HH TYR B 510 -0.245 -17.096 -9.903 1.00 0.00 H ATOM 1654 H TYR B 510 -4.314 -21.849 -9.281 1.00 0.00 H ATOM 1655 N GLY B 511 -7.470 -19.696 -10.303 1.00 9.61 N ATOM 1656 CA GLY B 511 -7.919 -19.415 -11.656 1.00 10.25 C ATOM 1657 C GLY B 511 -8.731 -20.546 -12.253 1.00 12.93 C ATOM 1658 O GLY B 511 -9.339 -21.365 -11.573 1.00 14.05 O ATOM 1659 H GLY B 511 -7.998 -19.314 -9.493 1.00 0.00 H ATOM 1660 N GLY B 512 -8.764 -20.562 -13.584 1.00 12.29 N ATOM 1661 CA GLY B 512 -9.626 -21.498 -14.266 1.00 13.20 C ATOM 1662 C GLY B 512 -11.082 -21.133 -14.074 1.00 18.19 C ATOM 1663 O GLY B 512 -11.555 -20.106 -14.576 1.00 26.59 O ATOM 1664 H GLY B 512 -8.172 -19.904 -14.129 1.00 0.00 H ATOM 1665 N SER B 513 -11.803 -21.999 -13.375 1.00 17.16 N ATOM 1666 CA SER B 513 -13.195 -21.795 -13.005 1.00 15.12 C ATOM 1667 C SER B 513 -13.370 -22.480 -11.661 1.00 14.65 C ATOM 1668 O SER B 513 -12.536 -23.293 -11.253 1.00 15.44 O ATOM 1669 CB SER B 513 -14.157 -22.389 -14.023 1.00 17.48 C ATOM 1670 OG SER B 513 -14.059 -23.808 -14.017 1.00 18.10 O ATOM 1671 HG SER B 513 -13.134 -24.075 -14.249 1.00 0.00 H ATOM 1672 H SER B 513 -11.343 -22.881 -13.072 1.00 0.00 H ATOM 1673 N LYS B 514 -14.451 -22.142 -10.958 1.00 12.31 N ATOM 1674 CA LYS B 514 -14.713 -22.793 -9.681 1.00 11.15 C ATOM 1675 C LYS B 514 -14.813 -24.306 -9.860 1.00 10.97 C ATOM 1676 O LYS B 514 -14.208 -25.075 -9.104 1.00 11.53 O ATOM 1677 CB LYS B 514 -15.995 -22.234 -9.047 1.00 12.33 C ATOM 1678 CG LYS B 514 -16.251 -22.713 -7.617 1.00 14.47 C ATOM 1679 CD LYS B 514 -17.570 -22.238 -7.033 1.00 15.21 C ATOM 1680 CE LYS B 514 -17.666 -20.710 -6.919 1.00 16.38 C ATOM 1681 NZ LYS B 514 -19.127 -20.290 -6.718 1.00 18.02 N ATOM 1682 HZ1 LYS B 514 -19.693 -20.609 -7.530 1.00 0.00 H ATOM 1683 HZ2 LYS B 514 -19.494 -20.723 -5.846 1.00 0.00 H ATOM 1684 HZ3 LYS B 514 -19.181 -19.254 -6.642 1.00 0.00 H ATOM 1685 H LYS B 514 -15.104 -21.417 -11.319 1.00 0.00 H ATOM 1686 N THR B 515 -15.564 -24.754 -10.873 1.00 12.10 N ATOM 1687 CA THR B 515 -15.762 -26.189 -11.047 1.00 10.95 C ATOM 1688 C THR B 515 -14.470 -26.890 -11.471 1.00 13.49 C ATOM 1689 O THR B 515 -14.168 -27.976 -10.968 1.00 11.98 O ATOM 1690 CB THR B 515 -16.892 -26.448 -12.037 1.00 15.51 C ATOM 1691 OG1 THR B 515 -16.573 -25.875 -13.312 1.00 32.94 O ATOM 1692 CG2 THR B 515 -18.165 -25.816 -11.539 1.00 11.96 C ATOM 1693 HG1 THR B 515 -17.313 -26.050 -13.946 1.00 0.00 H ATOM 1694 H THR B 515 -16.005 -24.082 -11.533 1.00 0.00 H ATOM 1695 N SER B 516 -13.671 -26.280 -12.357 1.00 13.21 N ATOM 1696 CA SER B 516 -12.442 -26.948 -12.795 1.00 12.08 C ATOM 1697 C SER B 516 -11.443 -27.060 -11.653 1.00 11.15 C ATOM 1698 O SER B 516 -10.775 -28.094 -11.500 1.00 12.03 O ATOM 1699 CB SER B 516 -11.819 -26.242 -13.998 1.00 16.71 C ATOM 1700 OG SER B 516 -11.378 -24.941 -13.704 1.00 17.76 O ATOM 1701 HG SER B 516 -12.145 -24.395 -13.399 1.00 0.00 H ATOM 1702 H SER B 516 -13.920 -25.342 -12.730 1.00 0.00 H ATOM 1703 N LEU B 517 -11.348 -26.026 -10.816 1.00 10.82 N ATOM 1704 CA LEU B 517 -10.517 -26.116 -9.622 1.00 9.76 C ATOM 1705 C LEU B 517 -11.028 -27.178 -8.669 1.00 10.44 C ATOM 1706 O LEU B 517 -10.240 -27.931 -8.091 1.00 10.09 O ATOM 1707 CB LEU B 517 -10.462 -24.768 -8.911 1.00 13.10 C ATOM 1708 CG LEU B 517 -9.533 -23.689 -9.423 1.00 14.15 C ATOM 1709 CD1 LEU B 517 -9.763 -22.418 -8.587 1.00 15.03 C ATOM 1710 CD2 LEU B 517 -8.107 -24.140 -9.337 1.00 12.10 C ATOM 1711 H LEU B 517 -11.870 -25.149 -11.017 1.00 0.00 H ATOM 1712 N TYR B 518 -12.342 -27.199 -8.412 1.00 10.17 N ATOM 1713 CA TYR B 518 -12.911 -28.236 -7.561 1.00 9.44 C ATOM 1714 C TYR B 518 -12.523 -29.629 -8.072 1.00 9.92 C ATOM 1715 O TYR B 518 -12.062 -30.484 -7.302 1.00 10.19 O ATOM 1716 CB TYR B 518 -14.442 -28.040 -7.477 1.00 10.46 C ATOM 1717 CG TYR B 518 -15.108 -29.118 -6.670 1.00 10.49 C ATOM 1718 CD1 TYR B 518 -15.356 -28.938 -5.315 1.00 12.11 C ATOM 1719 CD2 TYR B 518 -15.420 -30.342 -7.239 1.00 11.46 C ATOM 1720 CE1 TYR B 518 -15.904 -29.955 -4.554 1.00 12.13 C ATOM 1721 CE2 TYR B 518 -15.964 -31.355 -6.483 1.00 12.64 C ATOM 1722 CZ TYR B 518 -16.201 -31.157 -5.141 1.00 11.88 C ATOM 1723 OH TYR B 518 -16.777 -32.185 -4.404 1.00 16.00 O ATOM 1724 HH TYR B 518 -16.884 -31.895 -3.463 1.00 0.00 H ATOM 1725 H TYR B 518 -12.960 -26.470 -8.822 1.00 0.00 H ATOM 1726 N ASN B 519 -12.680 -29.868 -9.371 1.00 10.09 N ATOM 1727 CA ASN B 519 -12.332 -31.176 -9.927 1.00 10.43 C ATOM 1728 C ASN B 519 -10.854 -31.482 -9.723 1.00 10.50 C ATOM 1729 O ASN B 519 -10.480 -32.602 -9.351 1.00 10.64 O ATOM 1730 CB ASN B 519 -12.690 -31.221 -11.414 1.00 10.93 C ATOM 1731 CG ASN B 519 -14.192 -31.093 -11.673 1.00 12.96 C ATOM 1732 OD1 ASN B 519 -15.002 -31.284 -10.773 1.00 13.78 O ATOM 1733 ND2 ASN B 519 -14.560 -30.810 -12.925 1.00 14.75 N ATOM 1734 HD22 ASN B 519 -13.838 -30.655 -13.657 1.00 0.00 H ATOM 1735 HD21 ASN B 519 -15.569 -30.744 -13.168 1.00 0.00 H ATOM 1736 H ASN B 519 -13.051 -29.122 -9.994 1.00 0.00 H ATOM 1737 N LEU B 520 -9.988 -30.492 -9.958 1.00 10.20 N ATOM 1738 CA LEU B 520 -8.558 -30.712 -9.746 1.00 10.28 C ATOM 1739 C LEU B 520 -8.253 -31.042 -8.285 1.00 10.03 C ATOM 1740 O LEU B 520 -7.439 -31.931 -7.994 1.00 10.82 O ATOM 1741 CB LEU B 520 -7.762 -29.490 -10.203 1.00 9.92 C ATOM 1742 CG LEU B 520 -6.256 -29.571 -9.963 1.00 10.01 C ATOM 1743 CD1 LEU B 520 -5.607 -30.716 -10.665 1.00 11.98 C ATOM 1744 CD2 LEU B 520 -5.635 -28.245 -10.421 1.00 12.10 C ATOM 1745 H LEU B 520 -10.330 -29.568 -10.291 1.00 0.00 H ATOM 1746 N ARG B 521 -8.915 -30.358 -7.359 1.00 9.15 N ATOM 1747 CA ARG B 521 -8.733 -30.623 -5.938 1.00 9.03 C ATOM 1748 C ARG B 521 -9.116 -32.059 -5.593 1.00 9.33 C ATOM 1749 O ARG B 521 -8.404 -32.725 -4.834 1.00 10.32 O ATOM 1750 CB ARG B 521 -9.555 -29.597 -5.150 1.00 9.53 C ATOM 1751 CG ARG B 521 -9.662 -29.843 -3.677 1.00 9.98 C ATOM 1752 CD ARG B 521 -10.443 -28.690 -3.035 1.00 9.11 C ATOM 1753 NE ARG B 521 -10.736 -28.880 -1.614 1.00 10.43 N ATOM 1754 CZ ARG B 521 -11.757 -29.590 -1.151 1.00 11.98 C ATOM 1755 NH1 ARG B 521 -12.570 -30.201 -1.979 1.00 15.21 N ATOM 1756 NH2 ARG B 521 -11.954 -29.684 0.151 1.00 14.38 N ATOM 1757 HE ARG B 521 -10.103 -28.430 -0.922 1.00 0.00 H ATOM 1758 HH12 ARG B 521 -13.368 -30.756 -1.609 1.00 0.00 H ATOM 1759 HH11 ARG B 521 -12.416 -30.131 -3.005 1.00 0.00 H ATOM 1760 HH22 ARG B 521 -12.753 -30.240 0.517 1.00 0.00 H ATOM 1761 HH21 ARG B 521 -11.310 -29.202 0.810 1.00 0.00 H ATOM 1762 H ARG B 521 -9.580 -29.615 -7.655 1.00 0.00 H ATOM 1763 N ARG B 522 -10.229 -32.553 -6.142 1.00 9.66 N ATOM 1764 CA ARG B 522 -10.622 -33.937 -5.879 1.00 10.07 C ATOM 1765 C ARG B 522 -9.592 -34.913 -6.432 1.00 11.60 C ATOM 1766 O ARG B 522 -9.252 -35.907 -5.783 1.00 12.23 O ATOM 1767 CB ARG B 522 -11.997 -34.238 -6.476 1.00 11.45 C ATOM 1768 CG ARG B 522 -13.165 -33.471 -5.870 1.00 11.46 C ATOM 1769 CD ARG B 522 -13.390 -33.777 -4.406 1.00 13.04 C ATOM 1770 NE ARG B 522 -13.678 -35.187 -4.200 1.00 14.84 N ATOM 1771 CZ ARG B 522 -14.894 -35.706 -4.076 1.00 18.37 C ATOM 1772 NH1 ARG B 522 -15.969 -34.923 -4.099 1.00 20.73 N ATOM 1773 NH2 ARG B 522 -15.041 -37.018 -3.926 1.00 21.84 N ATOM 1774 HE ARG B 522 -12.870 -35.839 -4.146 1.00 0.00 H ATOM 1775 HH12 ARG B 522 -16.917 -35.339 -4.001 1.00 0.00 H ATOM 1776 HH11 ARG B 522 -15.861 -33.895 -4.215 1.00 0.00 H ATOM 1777 HH22 ARG B 522 -15.992 -37.427 -3.829 1.00 0.00 H ATOM 1778 HH21 ARG B 522 -14.205 -37.636 -3.906 1.00 0.00 H ATOM 1779 H ARG B 522 -10.816 -31.954 -6.756 1.00 0.00 H ATOM 1780 N GLY B 523 -9.078 -34.659 -7.633 1.00 10.98 N ATOM 1781 CA GLY B 523 -8.068 -35.556 -8.181 1.00 11.09 C ATOM 1782 C GLY B 523 -6.761 -35.507 -7.408 1.00 11.04 C ATOM 1783 O GLY B 523 -6.091 -36.527 -7.231 1.00 12.58 O ATOM 1784 H GLY B 523 -9.394 -33.829 -8.175 1.00 0.00 H ATOM 1785 N THR B 524 -6.366 -34.318 -6.956 1.00 10.77 N ATOM 1786 CA THR B 524 -5.149 -34.192 -6.159 1.00 9.70 C ATOM 1787 C THR B 524 -5.252 -35.006 -4.872 1.00 11.19 C ATOM 1788 O THR B 524 -4.303 -35.697 -4.486 1.00 11.16 O ATOM 1789 CB THR B 524 -4.894 -32.720 -5.856 1.00 10.87 C ATOM 1790 OG1 THR B 524 -4.762 -32.009 -7.085 1.00 11.77 O ATOM 1791 CG2 THR B 524 -3.642 -32.540 -5.097 1.00 10.29 C ATOM 1792 HG1 THR B 524 -5.596 -32.103 -7.610 1.00 0.00 H ATOM 1793 H THR B 524 -6.930 -33.471 -7.173 1.00 0.00 H ATOM 1794 N ALA B 525 -6.411 -34.965 -4.219 1.00 10.87 N ATOM 1795 CA ALA B 525 -6.603 -35.730 -2.988 1.00 11.13 C ATOM 1796 C ALA B 525 -6.415 -37.223 -3.209 1.00 13.35 C ATOM 1797 O ALA B 525 -5.861 -37.920 -2.355 1.00 13.95 O ATOM 1798 CB ALA B 525 -7.992 -35.459 -2.421 1.00 11.56 C ATOM 1799 H ALA B 525 -7.189 -34.382 -4.589 1.00 0.00 H ATOM 1800 N LEU B 526 -6.868 -37.735 -4.347 1.00 11.87 N ATOM 1801 CA LEU B 526 -6.756 -39.163 -4.633 1.00 13.17 C ATOM 1802 C LEU B 526 -5.331 -39.545 -4.991 1.00 13.79 C ATOM 1803 O LEU B 526 -4.850 -40.612 -4.597 1.00 16.33 O ATOM 1804 CB LEU B 526 -7.699 -39.535 -5.775 1.00 12.30 C ATOM 1805 CG LEU B 526 -9.199 -39.494 -5.534 1.00 14.93 C ATOM 1806 CD1 LEU B 526 -9.978 -39.630 -6.825 1.00 16.31 C ATOM 1807 CD2 LEU B 526 -9.582 -40.611 -4.585 1.00 21.02 C ATOM 1808 H LEU B 526 -7.311 -37.107 -5.048 1.00 0.00 H ATOM 1809 N ALA B 527 -4.640 -38.684 -5.741 1.00 12.73 N ATOM 1810 CA ALA B 527 -3.286 -38.964 -6.195 1.00 12.65 C ATOM 1811 C ALA B 527 -2.238 -38.785 -5.113 1.00 12.39 C ATOM 1812 O ALA B 527 -1.163 -39.389 -5.205 1.00 14.93 O ATOM 1813 CB ALA B 527 -2.933 -38.063 -7.382 1.00 17.15 C ATOM 1814 H ALA B 527 -5.084 -37.783 -6.010 1.00 0.00 H ATOM 1815 N ILE B 528 -2.521 -37.976 -4.101 1.00 12.70 N ATOM 1816 CA ILE B 528 -1.504 -37.610 -3.119 1.00 11.29 C ATOM 1817 C ILE B 528 -2.080 -37.754 -1.712 1.00 10.96 C ATOM 1818 O ILE B 528 -2.473 -36.751 -1.099 1.00 11.58 O ATOM 1819 CB ILE B 528 -0.977 -36.188 -3.364 1.00 12.35 C ATOM 1820 CG1 ILE B 528 -0.616 -35.975 -4.844 1.00 15.62 C ATOM 1821 CG2 ILE B 528 0.223 -35.947 -2.470 1.00 14.26 C ATOM 1822 CD1 ILE B 528 -0.148 -34.554 -5.123 1.00 17.64 C ATOM 1823 H ILE B 528 -3.484 -37.596 -4.005 1.00 0.00 H ATOM 1824 N PRO B 529 -2.100 -38.964 -1.149 1.00 12.75 N ATOM 1825 CA PRO B 529 -2.557 -39.120 0.245 1.00 14.03 C ATOM 1826 C PRO B 529 -1.739 -38.303 1.235 1.00 11.86 C ATOM 1827 O PRO B 529 -2.216 -38.009 2.337 1.00 14.32 O ATOM 1828 CB PRO B 529 -2.392 -40.622 0.515 1.00 18.56 C ATOM 1829 CG PRO B 529 -2.319 -41.270 -0.829 1.00 20.03 C ATOM 1830 CD PRO B 529 -1.742 -40.246 -1.782 1.00 14.39 C ATOM 1831 N GLN B 530 -0.522 -37.916 0.868 1.00 12.28 N ATOM 1832 CA GLN B 530 0.410 -37.265 1.774 1.00 12.72 C ATOM 1833 C GLN B 530 0.163 -35.776 1.896 1.00 12.62 C ATOM 1834 O GLN B 530 0.770 -35.139 2.766 1.00 13.32 O ATOM 1835 CB GLN B 530 1.841 -37.501 1.293 1.00 12.34 C ATOM 1836 CG GLN B 530 2.238 -38.957 1.213 1.00 12.50 C ATOM 1837 CD GLN B 530 1.831 -39.643 -0.074 1.00 14.97 C ATOM 1838 OE1 GLN B 530 1.387 -39.026 -1.043 1.00 14.67 O ATOM 1839 NE2 GLN B 530 2.031 -40.957 -0.094 1.00 22.09 N ATOM 1840 HE22 GLN B 530 2.408 -41.438 0.747 1.00 0.00 H ATOM 1841 HE21 GLN B 530 1.811 -41.504 -0.951 1.00 0.00 H ATOM 1842 H GLN B 530 -0.222 -38.087 -0.113 1.00 0.00 H ATOM 1843 N CYS B 531 -0.743 -35.221 1.099 1.00 10.38 N ATOM 1844 CA CYS B 531 -1.010 -33.789 1.159 1.00 9.62 C ATOM 1845 C CYS B 531 -2.260 -33.509 1.981 1.00 9.26 C ATOM 1846 O CYS B 531 -3.001 -34.415 2.361 1.00 9.91 O ATOM 1847 CB CYS B 531 -1.175 -33.182 -0.241 1.00 10.62 C ATOM 1848 SG CYS B 531 -2.817 -33.414 -1.011 1.00 11.95 S ATOM 1849 H CYS B 531 -1.268 -35.814 0.425 1.00 0.00 H ATOM 1850 N ARG B 532 -2.496 -32.224 2.233 1.00 9.03 N ATOM 1851 CA ARG B 532 -3.735 -31.754 2.844 1.00 8.57 C ATOM 1852 C ARG B 532 -4.240 -30.572 2.043 1.00 8.89 C ATOM 1853 O ARG B 532 -3.439 -29.794 1.528 1.00 9.78 O ATOM 1854 CB ARG B 532 -3.536 -31.357 4.308 1.00 8.57 C ATOM 1855 CG ARG B 532 -3.063 -32.522 5.181 1.00 9.51 C ATOM 1856 CD ARG B 532 -4.116 -33.645 5.349 1.00 9.57 C ATOM 1857 NE ARG B 532 -3.609 -34.621 6.299 1.00 11.94 N ATOM 1858 CZ ARG B 532 -2.904 -35.692 5.977 1.00 14.90 C ATOM 1859 NH1 ARG B 532 -2.684 -35.989 4.703 1.00 14.69 N ATOM 1860 NH2 ARG B 532 -2.440 -36.501 6.927 1.00 19.76 N ATOM 1861 HE ARG B 532 -3.816 -34.465 7.306 1.00 0.00 H ATOM 1862 HH12 ARG B 532 -2.129 -36.832 4.454 1.00 0.00 H ATOM 1863 HH11 ARG B 532 -3.067 -35.378 3.953 1.00 0.00 H ATOM 1864 HH22 ARG B 532 -1.886 -37.342 6.669 1.00 0.00 H ATOM 1865 HH21 ARG B 532 -2.632 -36.292 7.928 1.00 0.00 H ATOM 1866 H ARG B 532 -1.767 -31.525 1.984 1.00 0.00 H ATOM 1867 N LEU B 533 -5.556 -30.428 1.945 1.00 8.62 N ATOM 1868 CA LEU B 533 -6.135 -29.450 1.044 1.00 7.82 C ATOM 1869 C LEU B 533 -7.111 -28.544 1.760 1.00 7.67 C ATOM 1870 O LEU B 533 -7.956 -29.025 2.515 1.00 8.86 O ATOM 1871 CB LEU B 533 -6.878 -30.137 -0.090 1.00 8.32 C ATOM 1872 CG LEU B 533 -6.059 -31.101 -0.938 1.00 10.02 C ATOM 1873 CD1 LEU B 533 -6.885 -32.128 -1.644 1.00 13.18 C ATOM 1874 CD2 LEU B 533 -5.320 -30.260 -1.931 1.00 12.45 C ATOM 1875 H LEU B 533 -6.181 -31.025 2.523 1.00 0.00 H ATOM 1876 N THR B 534 -7.056 -27.254 1.473 1.00 7.68 N ATOM 1877 CA THR B 534 -8.157 -26.410 1.890 1.00 7.69 C ATOM 1878 C THR B 534 -9.342 -26.620 0.977 1.00 7.52 C ATOM 1879 O THR B 534 -9.184 -27.076 -0.160 1.00 8.94 O ATOM 1880 CB THR B 534 -7.813 -24.919 1.840 1.00 7.53 C ATOM 1881 OG1 THR B 534 -7.569 -24.511 0.490 1.00 8.30 O ATOM 1882 CG2 THR B 534 -6.606 -24.566 2.676 1.00 7.58 C ATOM 1883 HG1 THR B 534 -8.379 -24.675 -0.055 1.00 0.00 H ATOM 1884 H THR B 534 -6.243 -26.856 0.961 1.00 0.00 H ATOM 1885 N PRO B 535 -10.532 -26.212 1.412 1.00 7.65 N ATOM 1886 CA PRO B 535 -11.627 -26.000 0.453 1.00 7.84 C ATOM 1887 C PRO B 535 -11.248 -24.916 -0.538 1.00 8.95 C ATOM 1888 O PRO B 535 -10.273 -24.185 -0.368 1.00 8.21 O ATOM 1889 CB PRO B 535 -12.822 -25.558 1.312 1.00 10.95 C ATOM 1890 CG PRO B 535 -12.372 -25.688 2.735 1.00 13.75 C ATOM 1891 CD PRO B 535 -10.887 -25.827 2.787 1.00 9.57 C ATOM 1892 N LEU B 536 -12.038 -24.806 -1.594 1.00 8.50 N ATOM 1893 CA LEU B 536 -11.945 -23.631 -2.447 1.00 8.97 C ATOM 1894 C LEU B 536 -12.377 -22.386 -1.692 1.00 8.47 C ATOM 1895 O LEU B 536 -13.270 -22.415 -0.846 1.00 9.61 O ATOM 1896 CB LEU B 536 -12.836 -23.788 -3.684 1.00 9.35 C ATOM 1897 CG LEU B 536 -12.147 -24.467 -4.862 1.00 12.08 C ATOM 1898 CD1 LEU B 536 -11.733 -25.895 -4.634 1.00 16.33 C ATOM 1899 CD2 LEU B 536 -13.110 -24.345 -6.075 1.00 12.79 C ATOM 1900 H LEU B 536 -12.723 -25.557 -1.813 1.00 0.00 H ATOM 1901 N SER B 537 -11.749 -21.272 -2.023 1.00 7.73 N ATOM 1902 CA SER B 537 -12.194 -19.977 -1.559 1.00 8.54 C ATOM 1903 C SER B 537 -11.925 -18.980 -2.668 1.00 10.94 C ATOM 1904 O SER B 537 -11.601 -19.360 -3.801 1.00 10.78 O ATOM 1905 CB SER B 537 -11.537 -19.635 -0.217 1.00 9.04 C ATOM 1906 OG SER B 537 -12.104 -18.447 0.279 1.00 11.82 O ATOM 1907 HG SER B 537 -13.077 -18.575 0.406 1.00 0.00 H ATOM 1908 H SER B 537 -10.910 -21.328 -2.635 1.00 0.00 H ATOM 1909 N ARG B 538 -12.088 -17.702 -2.370 1.00 10.86 N ATOM 1910 CA ARG B 538 -12.043 -16.660 -3.384 1.00 10.44 C ATOM 1911 C ARG B 538 -10.836 -15.753 -3.190 1.00 8.40 C ATOM 1912 O ARG B 538 -10.459 -15.425 -2.061 1.00 9.52 O ATOM 1913 CB ARG B 538 -13.317 -15.821 -3.354 1.00 12.86 C ATOM 1914 CG ARG B 538 -14.576 -16.567 -3.764 1.00 12.14 C ATOM 1915 CD ARG B 538 -15.834 -15.864 -3.244 1.00 18.89 C ATOM 1916 NE ARG B 538 -16.292 -14.856 -4.177 1.00 28.06 N ATOM 1917 CZ ARG B 538 -16.957 -15.137 -5.287 1.00 35.00 C ATOM 1918 NH1 ARG B 538 -17.239 -16.401 -5.594 1.00 42.59 N ATOM 1919 NH2 ARG B 538 -17.336 -14.158 -6.087 1.00 35.75 N ATOM 1920 HE ARG B 538 -16.088 -13.859 -3.964 1.00 0.00 H ATOM 1921 HH12 ARG B 538 -17.761 -16.620 -6.466 1.00 0.00 H ATOM 1922 HH11 ARG B 538 -16.937 -17.170 -4.962 1.00 0.00 H ATOM 1923 HH22 ARG B 538 -17.859 -14.373 -6.960 1.00 0.00 H ATOM 1924 HH21 ARG B 538 -17.112 -13.172 -5.844 1.00 0.00 H ATOM 1925 H ARG B 538 -12.254 -17.433 -1.379 1.00 0.00 H ATOM 1926 N LEU B 539 -10.252 -15.324 -4.298 1.00 9.82 N ATOM 1927 CA LEU B 539 -9.173 -14.354 -4.254 1.00 7.20 C ATOM 1928 C LEU B 539 -9.700 -12.929 -4.178 1.00 7.45 C ATOM 1929 O LEU B 539 -10.675 -12.595 -4.850 1.00 8.21 O ATOM 1930 CB LEU B 539 -8.299 -14.452 -5.497 1.00 9.74 C ATOM 1931 CG LEU B 539 -7.428 -15.695 -5.647 1.00 11.14 C ATOM 1932 CD1 LEU B 539 -6.696 -15.636 -6.973 1.00 12.89 C ATOM 1933 CD2 LEU B 539 -6.455 -15.849 -4.508 1.00 11.73 C ATOM 1934 H LEU B 539 -10.572 -15.689 -5.218 1.00 0.00 H ATOM 1935 N PRO B 540 -8.975 -12.076 -3.466 1.00 7.08 N ATOM 1936 CA PRO B 540 -9.201 -10.623 -3.562 1.00 7.83 C ATOM 1937 C PRO B 540 -8.616 -10.098 -4.859 1.00 7.91 C ATOM 1938 O PRO B 540 -7.942 -10.809 -5.605 1.00 9.04 O ATOM 1939 CB PRO B 540 -8.438 -10.070 -2.351 1.00 7.91 C ATOM 1940 CG PRO B 540 -7.249 -11.044 -2.234 1.00 8.19 C ATOM 1941 CD PRO B 540 -7.819 -12.414 -2.610 1.00 7.22 C ATOM 1942 N PHE B 541 -8.916 -8.836 -5.140 1.00 8.65 N ATOM 1943 CA PHE B 541 -8.349 -8.180 -6.301 1.00 8.75 C ATOM 1944 C PHE B 541 -6.926 -7.707 -6.034 1.00 9.78 C ATOM 1945 O PHE B 541 -6.503 -7.516 -4.884 1.00 10.15 O ATOM 1946 CB PHE B 541 -9.209 -6.990 -6.689 1.00 10.44 C ATOM 1947 CG PHE B 541 -10.586 -7.362 -7.147 1.00 9.82 C ATOM 1948 CD1 PHE B 541 -10.798 -7.838 -8.426 1.00 10.43 C ATOM 1949 CD2 PHE B 541 -11.674 -7.231 -6.317 1.00 12.05 C ATOM 1950 CE1 PHE B 541 -12.064 -8.156 -8.858 1.00 12.61 C ATOM 1951 CE2 PHE B 541 -12.935 -7.573 -6.748 1.00 12.21 C ATOM 1952 CZ PHE B 541 -13.133 -8.039 -8.015 1.00 11.73 C ATOM 1953 H PHE B 541 -9.566 -8.312 -4.520 1.00 0.00 H ATOM 1954 N GLY B 542 -6.197 -7.492 -7.115 1.00 10.61 N ATOM 1955 CA GLY B 542 -4.873 -6.926 -7.029 1.00 11.67 C ATOM 1956 C GLY B 542 -4.901 -5.419 -7.133 1.00 11.87 C ATOM 1957 O GLY B 542 -5.749 -4.750 -6.532 1.00 11.51 O ATOM 1958 H GLY B 542 -6.586 -7.736 -8.048 1.00 0.00 H ATOM 1959 N MET B 543 -3.954 -4.896 -7.904 1.00 12.66 N ATOM 1960 CA MET B 543 -3.915 -3.479 -8.225 1.00 11.39 C ATOM 1961 C MET B 543 -4.826 -3.150 -9.399 1.00 11.74 C ATOM 1962 O MET B 543 -4.941 -3.918 -10.360 1.00 13.30 O ATOM 1963 CB MET B 543 -2.486 -3.037 -8.567 1.00 11.88 C ATOM 1964 CG MET B 543 -1.475 -3.320 -7.447 1.00 14.62 C ATOM 1965 SD MET B 543 -1.839 -2.481 -5.899 1.00 13.67 S ATOM 1966 CE MET B 543 -1.742 -0.777 -6.385 1.00 15.16 C ATOM 1967 H MET B 543 -3.217 -5.520 -8.290 1.00 0.00 H ATOM 1968 N ALA B 544 -5.457 -1.989 -9.325 1.00 12.37 N ATOM 1969 CA ALA B 544 -6.189 -1.490 -10.476 1.00 15.09 C ATOM 1970 C ALA B 544 -5.286 -0.543 -11.250 1.00 15.59 C ATOM 1971 O ALA B 544 -4.600 0.286 -10.642 1.00 16.87 O ATOM 1972 CB ALA B 544 -7.455 -0.755 -10.048 1.00 18.46 C ATOM 1973 H ALA B 544 -5.429 -1.435 -8.445 1.00 0.00 H ATOM 1974 N PRO B 545 -5.252 -0.645 -12.574 1.00 18.79 N ATOM 1975 CA PRO B 545 -4.532 0.358 -13.358 1.00 18.70 C ATOM 1976 C PRO B 545 -5.214 1.714 -13.274 1.00 20.10 C ATOM 1977 O PRO B 545 -6.389 1.832 -12.922 1.00 23.91 O ATOM 1978 CB PRO B 545 -4.574 -0.201 -14.785 1.00 22.14 C ATOM 1979 CG PRO B 545 -5.897 -0.960 -14.826 1.00 30.64 C ATOM 1980 CD PRO B 545 -6.022 -1.573 -13.427 1.00 23.55 C ATOM 1981 N GLY B 546 -4.453 2.754 -13.609 1.00 19.67 N ATOM 1982 CA GLY B 546 -4.981 4.094 -13.645 1.00 22.58 C ATOM 1983 C GLY B 546 -4.874 4.828 -12.325 1.00 20.25 C ATOM 1984 O GLY B 546 -4.269 4.347 -11.361 1.00 22.93 O ATOM 1985 H GLY B 546 -3.454 2.595 -13.850 1.00 0.00 H ATOM 1986 N PRO B 547 -5.440 6.037 -12.263 1.00 26.44 N ATOM 1987 CA PRO B 547 -5.369 6.830 -11.028 1.00 30.14 C ATOM 1988 C PRO B 547 -6.568 6.640 -10.116 1.00 40.98 C ATOM 1989 O PRO B 547 -6.540 7.151 -8.994 1.00 48.73 O ATOM 1990 CB PRO B 547 -5.309 8.273 -11.562 1.00 36.86 C ATOM 1991 CG PRO B 547 -6.199 8.224 -12.784 1.00 37.27 C ATOM 1992 CD PRO B 547 -6.027 6.814 -13.379 1.00 39.99 C ATOM 1993 N GLY B 548 -7.607 5.928 -10.570 1.00 43.40 N ATOM 1994 CA GLY B 548 -8.808 5.774 -9.801 1.00 37.47 C ATOM 1995 C GLY B 548 -8.557 4.984 -8.532 1.00 37.74 C ATOM 1996 O GLY B 548 -7.416 4.611 -8.220 1.00 33.89 O ATOM 1997 H GLY B 548 -7.542 5.475 -11.504 1.00 0.00 H ATOM 1998 N PRO B 549 -9.630 4.709 -7.787 1.00 33.37 N ATOM 1999 CA PRO B 549 -9.460 4.083 -6.470 1.00 34.19 C ATOM 2000 C PRO B 549 -9.021 2.634 -6.592 1.00 20.21 C ATOM 2001 O PRO B 549 -9.417 1.915 -7.514 1.00 24.02 O ATOM 2002 CB PRO B 549 -10.853 4.196 -5.837 1.00 31.21 C ATOM 2003 CG PRO B 549 -11.796 4.163 -7.018 1.00 42.88 C ATOM 2004 CD PRO B 549 -11.056 4.879 -8.145 1.00 41.90 C ATOM 2005 N GLN B 550 -8.176 2.219 -5.668 1.00 19.77 N ATOM 2006 CA GLN B 550 -7.815 0.824 -5.538 1.00 13.41 C ATOM 2007 C GLN B 550 -8.925 0.077 -4.816 1.00 11.91 C ATOM 2008 O GLN B 550 -9.678 0.677 -4.041 1.00 16.14 O ATOM 2009 CB GLN B 550 -6.521 0.692 -4.758 1.00 15.12 C ATOM 2010 CG GLN B 550 -5.353 1.289 -5.495 1.00 16.32 C ATOM 2011 CD GLN B 550 -5.125 0.584 -6.821 1.00 14.95 C ATOM 2012 OE1 GLN B 550 -5.201 -0.637 -6.898 1.00 15.45 O ATOM 2013 NE2 GLN B 550 -4.847 1.350 -7.859 1.00 17.76 N ATOM 2014 HE22 GLN B 550 -4.793 2.382 -7.744 1.00 0.00 H ATOM 2015 HE21 GLN B 550 -4.682 0.921 -8.792 1.00 0.00 H ATOM 2016 H GLN B 550 -7.758 2.913 -5.016 1.00 0.00 H ATOM 2017 N PRO B 551 -9.056 -1.223 -5.050 1.00 11.35 N ATOM 2018 CA PRO B 551 -10.038 -1.994 -4.280 1.00 10.78 C ATOM 2019 C PRO B 551 -9.650 -2.069 -2.811 1.00 12.53 C ATOM 2020 O PRO B 551 -8.473 -2.104 -2.455 1.00 12.22 O ATOM 2021 CB PRO B 551 -9.998 -3.382 -4.930 1.00 12.97 C ATOM 2022 CG PRO B 551 -8.567 -3.475 -5.478 1.00 12.18 C ATOM 2023 CD PRO B 551 -8.261 -2.068 -5.958 1.00 11.35 C ATOM 2024 N GLY B 552 -10.655 -2.110 -1.958 1.00 11.52 N ATOM 2025 CA GLY B 552 -10.399 -2.349 -0.560 1.00 9.99 C ATOM 2026 C GLY B 552 -9.859 -3.747 -0.344 1.00 9.24 C ATOM 2027 O GLY B 552 -10.125 -4.662 -1.125 1.00 9.26 O ATOM 2028 H GLY B 552 -11.630 -1.970 -2.293 1.00 0.00 H ATOM 2029 N PRO B 553 -9.130 -3.956 0.750 1.00 9.13 N ATOM 2030 CA PRO B 553 -8.460 -5.256 0.942 1.00 8.68 C ATOM 2031 C PRO B 553 -9.399 -6.448 1.064 1.00 9.79 C ATOM 2032 O PRO B 553 -8.983 -7.580 0.798 1.00 10.05 O ATOM 2033 CB PRO B 553 -7.664 -5.044 2.235 1.00 8.99 C ATOM 2034 CG PRO B 553 -7.421 -3.561 2.300 1.00 11.75 C ATOM 2035 CD PRO B 553 -8.699 -2.950 1.734 1.00 12.12 C ATOM 2036 N LEU B 554 -10.650 -6.242 1.466 1.00 9.22 N ATOM 2037 CA LEU B 554 -11.585 -7.339 1.634 1.00 9.52 C ATOM 2038 C LEU B 554 -12.377 -7.673 0.371 1.00 10.30 C ATOM 2039 O LEU B 554 -13.047 -8.708 0.356 1.00 12.65 O ATOM 2040 CB LEU B 554 -12.583 -7.007 2.756 1.00 10.40 C ATOM 2041 CG LEU B 554 -12.009 -6.646 4.117 1.00 10.79 C ATOM 2042 CD1 LEU B 554 -13.131 -6.168 5.017 1.00 16.26 C ATOM 2043 CD2 LEU B 554 -11.327 -7.905 4.665 1.00 16.07 C ATOM 2044 H LEU B 554 -10.966 -5.271 1.665 1.00 0.00 H ATOM 2045 N ARG B 555 -12.374 -6.808 -0.648 1.00 9.89 N ATOM 2046 CA ARG B 555 -13.166 -7.051 -1.858 1.00 9.57 C ATOM 2047 C ARG B 555 -12.828 -8.407 -2.460 1.00 9.63 C ATOM 2048 O ARG B 555 -11.652 -8.735 -2.653 1.00 11.90 O ATOM 2049 CB ARG B 555 -12.892 -5.979 -2.910 1.00 12.70 C ATOM 2050 CG ARG B 555 -13.430 -4.616 -2.597 1.00 16.02 C ATOM 2051 CD ARG B 555 -14.855 -4.404 -3.076 1.00 16.04 C ATOM 2052 NE ARG B 555 -15.039 -4.760 -4.487 1.00 16.85 N ATOM 2053 CZ ARG B 555 -14.667 -4.018 -5.517 1.00 22.34 C ATOM 2054 NH1 ARG B 555 -14.093 -2.837 -5.326 1.00 25.07 N ATOM 2055 NH2 ARG B 555 -14.879 -4.450 -6.755 1.00 20.87 N ATOM 2056 HE ARG B 555 -15.499 -5.669 -4.694 1.00 0.00 H ATOM 2057 HH12 ARG B 555 -13.804 -2.261 -6.142 1.00 0.00 H ATOM 2058 HH11 ARG B 555 -13.932 -2.487 -4.360 1.00 0.00 H ATOM 2059 HH22 ARG B 555 -14.587 -3.868 -7.566 1.00 0.00 H ATOM 2060 HH21 ARG B 555 -15.337 -5.370 -6.913 1.00 0.00 H ATOM 2061 H ARG B 555 -11.798 -5.945 -0.581 1.00 0.00 H ATOM 2062 N GLU B 556 -13.849 -9.183 -2.783 1.00 9.88 N ATOM 2063 CA GLU B 556 -13.664 -10.518 -3.327 1.00 9.65 C ATOM 2064 C GLU B 556 -13.959 -10.547 -4.816 1.00 9.84 C ATOM 2065 O GLU B 556 -14.953 -9.982 -5.279 1.00 12.54 O ATOM 2066 CB GLU B 556 -14.568 -11.536 -2.624 1.00 12.33 C ATOM 2067 CG GLU B 556 -14.353 -11.598 -1.134 1.00 15.60 C ATOM 2068 CD GLU B 556 -15.352 -12.482 -0.436 1.00 21.69 C ATOM 2069 OE1 GLU B 556 -15.858 -13.432 -1.090 1.00 23.87 O ATOM 2070 OE2 GLU B 556 -15.625 -12.230 0.770 1.00 22.39 O ATOM 2071 H GLU B 556 -14.816 -8.826 -2.643 1.00 0.00 H ATOM 2072 N SER B 557 -13.108 -11.246 -5.544 1.00 10.32 N ATOM 2073 CA SER B 557 -13.295 -11.490 -6.959 1.00 9.93 C ATOM 2074 C SER B 557 -14.087 -12.778 -7.160 1.00 11.76 C ATOM 2075 O SER B 557 -14.350 -13.516 -6.213 1.00 13.31 O ATOM 2076 CB SER B 557 -11.941 -11.579 -7.652 1.00 10.17 C ATOM 2077 OG SER B 557 -11.363 -12.880 -7.512 1.00 10.58 O ATOM 2078 HG SER B 557 -11.237 -13.082 -6.551 1.00 0.00 H ATOM 2079 H SER B 557 -12.265 -11.639 -5.080 1.00 0.00 H ATOM 2080 N ILE B 558 -14.361 -13.105 -8.430 1.00 12.64 N ATOM 2081 CA ILE B 558 -14.951 -14.396 -8.792 1.00 13.29 C ATOM 2082 C ILE B 558 -13.900 -15.473 -9.027 1.00 12.41 C ATOM 2083 O ILE B 558 -14.255 -16.606 -9.385 1.00 14.88 O ATOM 2084 CB ILE B 558 -15.829 -14.292 -10.062 1.00 16.60 C ATOM 2085 CG1 ILE B 558 -14.987 -13.892 -11.282 1.00 21.25 C ATOM 2086 CG2 ILE B 558 -17.006 -13.363 -9.814 1.00 24.73 C ATOM 2087 CD1 ILE B 558 -15.751 -14.048 -12.607 1.00 36.45 C ATOM 2088 H ILE B 558 -14.148 -12.420 -9.183 1.00 0.00 H ATOM 2089 N VAL B 559 -12.613 -15.138 -8.907 1.00 9.18 N ATOM 2090 CA VAL B 559 -11.535 -16.094 -9.133 1.00 10.29 C ATOM 2091 C VAL B 559 -11.322 -16.882 -7.857 1.00 8.53 C ATOM 2092 O VAL B 559 -11.167 -16.293 -6.780 1.00 10.85 O ATOM 2093 CB VAL B 559 -10.233 -15.384 -9.544 1.00 9.82 C ATOM 2094 CG1 VAL B 559 -9.137 -16.412 -9.823 1.00 12.10 C ATOM 2095 CG2 VAL B 559 -10.467 -14.484 -10.749 1.00 12.27 C ATOM 2096 H VAL B 559 -12.371 -14.162 -8.643 1.00 0.00 H ATOM 2097 N CYS B 560 -11.285 -18.194 -7.963 1.00 8.16 N ATOM 2098 CA CYS B 560 -11.132 -19.035 -6.790 1.00 8.09 C ATOM 2099 C CYS B 560 -9.716 -19.586 -6.682 1.00 8.09 C ATOM 2100 O CYS B 560 -8.905 -19.499 -7.604 1.00 8.11 O ATOM 2101 CB CYS B 560 -12.124 -20.194 -6.796 1.00 9.12 C ATOM 2102 SG CYS B 560 -13.871 -19.624 -6.678 1.00 14.32 S ATOM 2103 H CYS B 560 -11.367 -18.634 -8.902 1.00 0.00 H ATOM 2104 N TYR B 561 -9.424 -20.139 -5.510 1.00 7.53 N ATOM 2105 CA TYR B 561 -8.144 -20.768 -5.233 1.00 7.84 C ATOM 2106 C TYR B 561 -8.349 -21.910 -4.247 1.00 7.92 C ATOM 2107 O TYR B 561 -9.373 -21.990 -3.564 1.00 8.08 O ATOM 2108 CB TYR B 561 -7.125 -19.774 -4.643 1.00 7.28 C ATOM 2109 CG TYR B 561 -7.337 -19.502 -3.162 1.00 7.21 C ATOM 2110 CD1 TYR B 561 -6.654 -20.240 -2.206 1.00 7.47 C ATOM 2111 CD2 TYR B 561 -8.212 -18.538 -2.726 1.00 8.03 C ATOM 2112 CE1 TYR B 561 -6.836 -20.031 -0.845 1.00 7.35 C ATOM 2113 CE2 TYR B 561 -8.410 -18.323 -1.352 1.00 7.34 C ATOM 2114 CZ TYR B 561 -7.719 -19.056 -0.434 1.00 7.34 C ATOM 2115 OH TYR B 561 -7.918 -18.857 0.910 1.00 9.71 O ATOM 2116 HH TYR B 561 -8.866 -19.035 1.132 1.00 0.00 H ATOM 2117 H TYR B 561 -10.143 -20.121 -4.758 1.00 0.00 H ATOM 2118 N PHE B 562 -7.356 -22.785 -4.160 1.00 7.79 N ATOM 2119 CA PHE B 562 -7.218 -23.656 -2.999 1.00 7.19 C ATOM 2120 C PHE B 562 -5.735 -23.838 -2.730 1.00 7.06 C ATOM 2121 O PHE B 562 -4.878 -23.574 -3.584 1.00 8.01 O ATOM 2122 CB PHE B 562 -7.954 -25.017 -3.150 1.00 8.72 C ATOM 2123 CG PHE B 562 -7.400 -25.912 -4.226 1.00 7.47 C ATOM 2124 CD1 PHE B 562 -6.450 -26.877 -3.924 1.00 9.32 C ATOM 2125 CD2 PHE B 562 -7.853 -25.826 -5.525 1.00 7.91 C ATOM 2126 CE1 PHE B 562 -5.949 -27.712 -4.929 1.00 8.76 C ATOM 2127 CE2 PHE B 562 -7.345 -26.644 -6.514 1.00 8.19 C ATOM 2128 CZ PHE B 562 -6.423 -27.598 -6.221 1.00 8.20 C ATOM 2129 H PHE B 562 -6.664 -22.851 -4.933 1.00 0.00 H ATOM 2130 N MET B 563 -5.426 -24.237 -1.501 1.00 7.08 N ATOM 2131 CA MET B 563 -4.063 -24.478 -1.050 1.00 8.08 C ATOM 2132 C MET B 563 -3.829 -25.965 -0.814 1.00 7.93 C ATOM 2133 O MET B 563 -4.660 -26.647 -0.206 1.00 8.66 O ATOM 2134 CB MET B 563 -3.782 -23.693 0.241 1.00 10.91 C ATOM 2135 CG MET B 563 -2.423 -23.922 0.837 1.00 9.36 C ATOM 2136 SD MET B 563 -1.109 -22.971 0.044 1.00 11.60 S ATOM 2137 CE MET B 563 -1.420 -21.358 0.767 1.00 10.01 C ATOM 2138 H MET B 563 -6.201 -24.385 -0.823 1.00 0.00 H ATOM 2139 N VAL B 564 -2.680 -26.452 -1.279 1.00 7.80 N ATOM 2140 CA VAL B 564 -2.178 -27.786 -0.987 1.00 7.38 C ATOM 2141 C VAL B 564 -1.055 -27.611 0.025 1.00 8.86 C ATOM 2142 O VAL B 564 -0.075 -26.915 -0.267 1.00 10.71 O ATOM 2143 CB VAL B 564 -1.644 -28.498 -2.236 1.00 9.03 C ATOM 2144 CG1 VAL B 564 -1.263 -29.943 -1.895 1.00 9.72 C ATOM 2145 CG2 VAL B 564 -2.629 -28.426 -3.377 1.00 9.59 C ATOM 2146 H VAL B 564 -2.104 -25.839 -1.891 1.00 0.00 H ATOM 2147 N PHE B 565 -1.178 -28.245 1.194 1.00 7.57 N ATOM 2148 CA PHE B 565 -0.117 -28.260 2.200 1.00 8.43 C ATOM 2149 C PHE B 565 0.721 -29.516 2.030 1.00 9.18 C ATOM 2150 O PHE B 565 0.183 -30.614 1.848 1.00 8.46 O ATOM 2151 CB PHE B 565 -0.662 -28.234 3.628 1.00 8.57 C ATOM 2152 CG PHE B 565 -1.478 -27.041 3.938 1.00 8.31 C ATOM 2153 CD1 PHE B 565 -0.899 -25.845 4.303 1.00 9.28 C ATOM 2154 CD2 PHE B 565 -2.860 -27.116 3.849 1.00 9.33 C ATOM 2155 CE1 PHE B 565 -1.707 -24.739 4.567 1.00 9.83 C ATOM 2156 CE2 PHE B 565 -3.646 -26.037 4.120 1.00 8.93 C ATOM 2157 CZ PHE B 565 -3.078 -24.845 4.457 1.00 10.05 C ATOM 2158 H PHE B 565 -2.065 -28.749 1.397 1.00 0.00 H ATOM 2159 N LEU B 566 2.035 -29.356 2.143 1.00 8.36 N ATOM 2160 CA LEU B 566 2.996 -30.421 1.932 1.00 8.04 C ATOM 2161 C LEU B 566 4.106 -30.362 2.975 1.00 8.20 C ATOM 2162 O LEU B 566 4.433 -29.300 3.507 1.00 8.48 O ATOM 2163 CB LEU B 566 3.622 -30.312 0.557 1.00 9.38 C ATOM 2164 CG LEU B 566 2.640 -30.489 -0.588 1.00 10.32 C ATOM 2165 CD1 LEU B 566 3.307 -30.107 -1.876 1.00 12.51 C ATOM 2166 CD2 LEU B 566 2.127 -31.919 -0.633 1.00 12.04 C ATOM 2167 H LEU B 566 2.395 -28.414 2.397 1.00 0.00 H ATOM 2168 N GLN B 567 4.722 -31.506 3.219 1.00 8.64 N ATOM 2169 CA GLN B 567 5.805 -31.626 4.188 1.00 8.37 C ATOM 2170 C GLN B 567 7.191 -31.378 3.613 1.00 9.05 C ATOM 2171 O GLN B 567 8.144 -31.217 4.389 1.00 9.85 O ATOM 2172 CB GLN B 567 5.774 -33.018 4.844 1.00 9.65 C ATOM 2173 CG GLN B 567 4.577 -33.175 5.758 1.00 10.28 C ATOM 2174 CD GLN B 567 4.520 -34.492 6.464 1.00 13.03 C ATOM 2175 OE1 GLN B 567 5.480 -35.239 6.508 1.00 12.26 O ATOM 2176 NE2 GLN B 567 3.376 -34.770 7.065 1.00 17.47 N ATOM 2177 HE22 GLN B 567 2.580 -34.103 7.002 1.00 0.00 H ATOM 2178 HE21 GLN B 567 3.272 -35.655 7.601 1.00 0.00 H ATOM 2179 H GLN B 567 4.422 -32.355 2.699 1.00 0.00 H ATOM 2180 N THR B 568 7.345 -31.342 2.290 1.00 9.25 N ATOM 2181 CA THR B 568 8.634 -31.044 1.687 1.00 9.14 C ATOM 2182 C THR B 568 8.482 -30.053 0.547 1.00 10.74 C ATOM 2183 O THR B 568 7.581 -30.171 -0.294 1.00 9.96 O ATOM 2184 CB THR B 568 9.360 -32.292 1.153 1.00 11.14 C ATOM 2185 OG1 THR B 568 8.691 -32.805 -0.003 1.00 11.04 O ATOM 2186 CG2 THR B 568 9.459 -33.371 2.193 1.00 10.29 C ATOM 2187 HG1 THR B 568 9.171 -33.606 -0.332 1.00 0.00 H ATOM 2188 H THR B 568 6.527 -31.531 1.676 1.00 0.00 H ATOM 2189 N HIS B 569 9.421 -29.115 0.483 1.00 9.48 N ATOM 2190 CA HIS B 569 9.483 -28.177 -0.627 1.00 9.29 C ATOM 2191 C HIS B 569 9.819 -28.877 -1.939 1.00 9.68 C ATOM 2192 O HIS B 569 9.316 -28.478 -2.998 1.00 11.32 O ATOM 2193 CB HIS B 569 10.523 -27.103 -0.315 1.00 10.31 C ATOM 2194 CG HIS B 569 10.477 -25.925 -1.232 1.00 15.54 C ATOM 2195 ND1 HIS B 569 11.103 -25.915 -2.460 1.00 19.58 N ATOM 2196 CD2 HIS B 569 9.895 -24.711 -1.096 1.00 22.92 C ATOM 2197 CE1 HIS B 569 10.888 -24.751 -3.050 1.00 18.31 C ATOM 2198 NE2 HIS B 569 10.174 -23.998 -2.235 1.00 21.65 N ATOM 2199 H HIS B 569 10.127 -29.050 1.244 1.00 0.00 H ATOM 2200 N ILE B 570 10.668 -29.910 -1.893 1.00 10.23 N ATOM 2201 CA ILE B 570 11.083 -30.580 -3.122 1.00 10.89 C ATOM 2202 C ILE B 570 9.869 -31.211 -3.793 1.00 13.86 C ATOM 2203 O ILE B 570 9.692 -31.104 -5.013 1.00 14.96 O ATOM 2204 CB ILE B 570 12.215 -31.595 -2.837 1.00 12.11 C ATOM 2205 CG1 ILE B 570 12.812 -32.076 -4.164 1.00 20.51 C ATOM 2206 CG2 ILE B 570 11.732 -32.744 -2.017 1.00 14.92 C ATOM 2207 CD1 ILE B 570 13.967 -33.057 -4.017 1.00 39.26 C ATOM 2208 H ILE B 570 11.034 -30.238 -0.976 1.00 0.00 H ATOM 2209 N PHE B 571 8.975 -31.812 -3.011 1.00 11.27 N ATOM 2210 CA PHE B 571 7.765 -32.357 -3.623 1.00 9.72 C ATOM 2211 C PHE B 571 6.784 -31.259 -4.034 1.00 10.70 C ATOM 2212 O PHE B 571 6.051 -31.436 -5.009 1.00 11.37 O ATOM 2213 CB PHE B 571 7.078 -33.376 -2.700 1.00 12.06 C ATOM 2214 CG PHE B 571 5.904 -34.053 -3.343 1.00 12.02 C ATOM 2215 CD1 PHE B 571 6.068 -34.810 -4.490 1.00 12.77 C ATOM 2216 CD2 PHE B 571 4.642 -33.906 -2.824 1.00 15.11 C ATOM 2217 CE1 PHE B 571 4.976 -35.416 -5.100 1.00 13.88 C ATOM 2218 CE2 PHE B 571 3.549 -34.509 -3.429 1.00 16.67 C ATOM 2219 CZ PHE B 571 3.734 -35.269 -4.566 1.00 15.41 C ATOM 2220 H PHE B 571 9.134 -31.892 -1.986 1.00 0.00 H ATOM 2221 N ALA B 572 6.719 -30.133 -3.311 1.00 10.29 N ATOM 2222 CA ALA B 572 5.908 -29.019 -3.796 1.00 9.36 C ATOM 2223 C ALA B 572 6.312 -28.621 -5.208 1.00 10.75 C ATOM 2224 O ALA B 572 5.452 -28.391 -6.065 1.00 10.42 O ATOM 2225 CB ALA B 572 6.019 -27.826 -2.845 1.00 11.44 C ATOM 2226 H ALA B 572 7.240 -30.053 -2.415 1.00 0.00 H ATOM 2227 N GLU B 573 7.619 -28.537 -5.477 1.00 11.16 N ATOM 2228 CA GLU B 573 8.080 -28.162 -6.812 1.00 11.50 C ATOM 2229 C GLU B 573 7.628 -29.178 -7.852 1.00 12.23 C ATOM 2230 O GLU B 573 7.204 -28.815 -8.962 1.00 14.39 O ATOM 2231 CB GLU B 573 9.607 -28.033 -6.802 1.00 15.57 C ATOM 2232 CG GLU B 573 10.173 -27.229 -7.938 1.00 30.00 C ATOM 2233 CD GLU B 573 10.051 -25.730 -7.705 1.00 32.39 C ATOM 2234 OE1 GLU B 573 10.506 -25.259 -6.635 1.00 51.95 O ATOM 2235 OE2 GLU B 573 9.520 -25.037 -8.595 1.00 48.62 O ATOM 2236 H GLU B 573 8.313 -28.740 -4.730 1.00 0.00 H ATOM 2237 N VAL B 574 7.711 -30.459 -7.512 1.00 12.83 N ATOM 2238 CA VAL B 574 7.308 -31.524 -8.421 1.00 13.54 C ATOM 2239 C VAL B 574 5.813 -31.449 -8.687 1.00 12.74 C ATOM 2240 O VAL B 574 5.360 -31.608 -9.827 1.00 13.46 O ATOM 2241 CB VAL B 574 7.713 -32.883 -7.820 1.00 15.44 C ATOM 2242 CG1 VAL B 574 6.997 -34.021 -8.518 1.00 19.70 C ATOM 2243 CG2 VAL B 574 9.197 -33.051 -7.873 1.00 16.64 C ATOM 2244 H VAL B 574 8.074 -30.709 -6.570 1.00 0.00 H ATOM 2245 N LEU B 575 5.020 -31.204 -7.648 1.00 12.15 N ATOM 2246 CA LEU B 575 3.579 -31.130 -7.836 1.00 11.20 C ATOM 2247 C LEU B 575 3.192 -29.912 -8.664 1.00 11.99 C ATOM 2248 O LEU B 575 2.279 -29.989 -9.493 1.00 11.14 O ATOM 2249 CB LEU B 575 2.857 -31.088 -6.485 1.00 11.47 C ATOM 2250 CG LEU B 575 1.335 -30.923 -6.519 1.00 14.13 C ATOM 2251 CD1 LEU B 575 0.701 -32.038 -7.358 1.00 15.13 C ATOM 2252 CD2 LEU B 575 0.739 -30.918 -5.103 1.00 12.48 C ATOM 2253 H LEU B 575 5.429 -31.065 -6.702 1.00 0.00 H ATOM 2254 N LYS B 576 3.845 -28.770 -8.423 1.00 11.15 N ATOM 2255 CA LYS B 576 3.591 -27.571 -9.222 1.00 11.77 C ATOM 2256 C LYS B 576 3.807 -27.872 -10.707 1.00 12.50 C ATOM 2257 O LYS B 576 2.947 -27.571 -11.549 1.00 12.37 O ATOM 2258 CB LYS B 576 4.504 -26.441 -8.728 1.00 13.23 C ATOM 2259 CG LYS B 576 4.427 -25.136 -9.509 1.00 15.31 C ATOM 2260 CD LYS B 576 5.558 -25.007 -10.484 1.00 17.96 C ATOM 2261 CE LYS B 576 6.916 -25.144 -9.850 1.00 21.72 C ATOM 2262 NZ LYS B 576 8.061 -24.907 -10.807 1.00 23.68 N ATOM 2263 HZ1 LYS B 576 8.011 -25.597 -11.584 1.00 0.00 H ATOM 2264 HZ2 LYS B 576 7.995 -23.943 -11.193 1.00 0.00 H ATOM 2265 HZ3 LYS B 576 8.963 -25.018 -10.301 1.00 0.00 H ATOM 2266 H LYS B 576 4.545 -28.734 -7.655 1.00 0.00 H ATOM 2267 N ASP B 577 4.928 -28.506 -11.037 1.00 12.21 N ATOM 2268 CA ASP B 577 5.204 -28.867 -12.424 1.00 14.57 C ATOM 2269 C ASP B 577 4.168 -29.854 -12.968 1.00 13.65 C ATOM 2270 O ASP B 577 3.758 -29.741 -14.128 1.00 14.72 O ATOM 2271 CB ASP B 577 6.629 -29.424 -12.555 1.00 16.78 C ATOM 2272 CG ASP B 577 7.702 -28.331 -12.423 1.00 26.06 C ATOM 2273 OD1 ASP B 577 7.387 -27.128 -12.574 1.00 30.58 O ATOM 2274 OD2 ASP B 577 8.864 -28.672 -12.177 1.00 31.73 O ATOM 2275 H ASP B 577 5.617 -28.748 -10.297 1.00 0.00 H ATOM 2276 N ALA B 578 3.743 -30.839 -12.170 1.00 13.91 N ATOM 2277 CA ALA B 578 2.738 -31.795 -12.635 1.00 12.74 C ATOM 2278 C ALA B 578 1.399 -31.111 -12.918 1.00 12.31 C ATOM 2279 O ALA B 578 0.735 -31.405 -13.920 1.00 12.78 O ATOM 2280 CB ALA B 578 2.606 -32.918 -11.604 1.00 14.37 C ATOM 2281 H ALA B 578 4.131 -30.926 -11.209 1.00 0.00 H ATOM 2282 N ILE B 579 0.970 -30.197 -12.051 1.00 12.66 N ATOM 2283 CA ILE B 579 -0.296 -29.521 -12.290 1.00 12.19 C ATOM 2284 C ILE B 579 -0.203 -28.694 -13.563 1.00 12.83 C ATOM 2285 O ILE B 579 -1.119 -28.702 -14.398 1.00 12.73 O ATOM 2286 CB ILE B 579 -0.695 -28.657 -11.082 1.00 11.23 C ATOM 2287 CG1 ILE B 579 -1.106 -29.556 -9.919 1.00 13.45 C ATOM 2288 CG2 ILE B 579 -1.805 -27.705 -11.466 1.00 12.83 C ATOM 2289 CD1 ILE B 579 -1.258 -28.809 -8.586 1.00 13.24 C ATOM 2290 H ILE B 579 1.536 -29.968 -11.209 1.00 0.00 H ATOM 2291 N LYS B 580 0.902 -27.975 -13.740 1.00 12.35 N ATOM 2292 CA LYS B 580 1.062 -27.157 -14.940 1.00 14.43 C ATOM 2293 C LYS B 580 0.999 -28.019 -16.190 1.00 15.89 C ATOM 2294 O LYS B 580 0.341 -27.669 -17.182 1.00 14.49 O ATOM 2295 CB LYS B 580 2.398 -26.431 -14.910 1.00 17.53 C ATOM 2296 CG LYS B 580 2.520 -25.282 -13.974 1.00 16.50 C ATOM 2297 CD LYS B 580 3.961 -24.752 -14.058 1.00 24.80 C ATOM 2298 CE LYS B 580 4.153 -23.530 -13.194 1.00 27.48 C ATOM 2299 NZ LYS B 580 3.620 -22.307 -13.868 1.00 27.78 N ATOM 2300 HZ1 LYS B 580 4.122 -22.162 -14.767 1.00 0.00 H ATOM 2301 HZ2 LYS B 580 2.604 -22.429 -14.052 1.00 0.00 H ATOM 2302 HZ3 LYS B 580 3.765 -21.482 -13.252 1.00 0.00 H ATOM 2303 H LYS B 580 1.654 -27.995 -13.022 1.00 0.00 H ATOM 2304 N ASP B 581 1.727 -29.140 -16.176 1.00 14.99 N ATOM 2305 CA ASP B 581 1.746 -30.028 -17.333 1.00 14.98 C ATOM 2306 C ASP B 581 0.380 -30.657 -17.575 1.00 14.16 C ATOM 2307 O ASP B 581 -0.029 -30.837 -18.730 1.00 16.31 O ATOM 2308 CB ASP B 581 2.813 -31.107 -17.158 1.00 18.04 C ATOM 2309 CG ASP B 581 4.205 -30.557 -17.253 1.00 24.20 C ATOM 2310 OD1 ASP B 581 4.358 -29.422 -17.766 1.00 21.47 O ATOM 2311 OD2 ASP B 581 5.147 -31.243 -16.796 1.00 22.94 O ATOM 2312 H ASP B 581 2.285 -29.381 -15.332 1.00 0.00 H ATOM 2313 N LEU B 582 -0.348 -30.997 -16.514 1.00 15.37 N ATOM 2314 CA LEU B 582 -1.658 -31.602 -16.704 1.00 15.99 C ATOM 2315 C LEU B 582 -2.643 -30.619 -17.320 1.00 15.60 C ATOM 2316 O LEU B 582 -3.352 -30.950 -18.280 1.00 18.02 O ATOM 2317 CB LEU B 582 -2.200 -32.112 -15.374 1.00 16.12 C ATOM 2318 CG LEU B 582 -3.510 -32.877 -15.545 1.00 17.34 C ATOM 2319 CD1 LEU B 582 -3.391 -34.098 -16.450 1.00 23.75 C ATOM 2320 CD2 LEU B 582 -4.047 -33.271 -14.158 1.00 25.01 C ATOM 2321 H LEU B 582 0.017 -30.831 -15.554 1.00 0.00 H ATOM 2322 N VAL B 583 -2.739 -29.407 -16.768 1.00 16.52 N ATOM 2323 CA VAL B 583 -3.844 -28.555 -17.193 1.00 16.65 C ATOM 2324 C VAL B 583 -3.614 -27.983 -18.585 1.00 18.80 C ATOM 2325 O VAL B 583 -4.586 -27.616 -19.265 1.00 19.99 O ATOM 2326 CB VAL B 583 -4.146 -27.418 -16.186 1.00 15.16 C ATOM 2327 CG1 VAL B 583 -4.522 -27.958 -14.792 1.00 14.26 C ATOM 2328 CG2 VAL B 583 -3.002 -26.438 -16.064 1.00 17.29 C ATOM 2329 H VAL B 583 -2.050 -29.082 -16.060 1.00 0.00 H ATOM 2330 N MET B 584 -2.363 -27.922 -19.051 1.00 19.13 N ATOM 2331 CA MET B 584 -2.118 -27.336 -20.365 1.00 21.17 C ATOM 2332 C MET B 584 -2.580 -28.236 -21.487 1.00 23.36 C ATOM 2333 O MET B 584 -2.620 -27.785 -22.633 1.00 23.75 O ATOM 2334 CB MET B 584 -0.638 -26.976 -20.567 1.00 22.44 C ATOM 2335 CG MET B 584 0.350 -28.109 -20.536 1.00 29.74 C ATOM 2336 SD MET B 584 2.005 -27.545 -21.047 1.00 30.36 S ATOM 2337 CE MET B 584 2.486 -26.525 -19.654 1.00 36.90 C ATOM 2338 H MET B 584 -1.572 -28.288 -18.483 1.00 0.00 H ATOM 2339 N THR B 585 -2.963 -29.470 -21.186 1.00 20.58 N ATOM 2340 CA THR B 585 -3.453 -30.378 -22.205 1.00 21.90 C ATOM 2341 C THR B 585 -4.966 -30.360 -22.307 1.00 21.96 C ATOM 2342 O THR B 585 -5.523 -31.128 -23.095 1.00 25.07 O ATOM 2343 CB THR B 585 -2.970 -31.816 -21.939 1.00 26.99 C ATOM 2344 OG1 THR B 585 -3.627 -32.354 -20.781 1.00 28.01 O ATOM 2345 CG2 THR B 585 -1.468 -31.860 -21.738 1.00 31.05 C ATOM 2346 HG1 THR B 585 -3.419 -31.791 -19.994 1.00 0.00 H ATOM 2347 H THR B 585 -2.911 -29.793 -20.199 1.00 0.00 H ATOM 2348 N LYS B 586 -5.640 -29.487 -21.547 1.00 20.79 N ATOM 2349 CA LYS B 586 -7.090 -29.435 -21.433 1.00 22.10 C ATOM 2350 C LYS B 586 -7.643 -28.149 -22.030 1.00 20.08 C ATOM 2351 O LYS B 586 -6.955 -27.123 -22.072 1.00 24.32 O ATOM 2352 CB LYS B 586 -7.479 -29.530 -19.954 1.00 22.79 C ATOM 2353 CG LYS B 586 -6.810 -30.697 -19.255 1.00 28.31 C ATOM 2354 CD LYS B 586 -7.110 -31.993 -19.994 1.00 32.44 C ATOM 2355 CE LYS B 586 -6.661 -33.199 -19.192 1.00 35.85 C ATOM 2356 NZ LYS B 586 -6.850 -34.464 -19.962 1.00 41.59 N ATOM 2357 HZ1 LYS B 586 -7.857 -34.578 -20.197 1.00 0.00 H ATOM 2358 HZ2 LYS B 586 -6.291 -34.422 -20.838 1.00 0.00 H ATOM 2359 HZ3 LYS B 586 -6.533 -35.270 -19.386 1.00 0.00 H ATOM 2360 H LYS B 586 -5.088 -28.797 -20.999 1.00 0.00 H ATOM 2361 N PRO B 587 -8.889 -28.166 -22.499 1.00 23.40 N ATOM 2362 CA PRO B 587 -9.493 -26.934 -23.007 1.00 22.45 C ATOM 2363 C PRO B 587 -9.792 -25.948 -21.889 1.00 22.94 C ATOM 2364 O PRO B 587 -9.827 -26.287 -20.699 1.00 24.73 O ATOM 2365 CB PRO B 587 -10.778 -27.415 -23.683 1.00 29.27 C ATOM 2366 CG PRO B 587 -11.111 -28.678 -23.012 1.00 40.42 C ATOM 2367 CD PRO B 587 -9.818 -29.308 -22.574 1.00 35.93 C ATOM 2368 N ALA B 588 -9.993 -24.698 -22.292 1.00 20.43 N ATOM 2369 CA ALA B 588 -10.460 -23.692 -21.358 1.00 21.53 C ATOM 2370 C ALA B 588 -11.783 -24.155 -20.754 1.00 24.83 C ATOM 2371 O ALA B 588 -12.598 -24.778 -21.437 1.00 24.93 O ATOM 2372 CB ALA B 588 -10.640 -22.340 -22.044 1.00 26.07 C ATOM 2373 H ALA B 588 -9.814 -24.440 -23.283 1.00 0.00 H ATOM 2374 N PRO B 589 -12.040 -23.840 -19.480 1.00 19.89 N ATOM 2375 CA PRO B 589 -11.194 -22.973 -18.647 1.00 17.60 C ATOM 2376 C PRO B 589 -10.075 -23.681 -17.873 1.00 18.05 C ATOM 2377 O PRO B 589 -9.301 -23.010 -17.194 1.00 17.03 O ATOM 2378 CB PRO B 589 -12.192 -22.366 -17.666 1.00 23.95 C ATOM 2379 CG PRO B 589 -13.227 -23.488 -17.481 1.00 24.65 C ATOM 2380 CD PRO B 589 -13.331 -24.153 -18.833 1.00 23.41 C ATOM 2381 N THR B 590 -10.005 -25.013 -17.970 1.00 18.56 N ATOM 2382 CA THR B 590 -9.020 -25.778 -17.203 1.00 15.91 C ATOM 2383 C THR B 590 -7.597 -25.299 -17.478 1.00 15.51 C ATOM 2384 O THR B 590 -6.791 -25.168 -16.552 1.00 14.80 O ATOM 2385 CB THR B 590 -9.156 -27.259 -17.548 1.00 18.91 C ATOM 2386 OG1 THR B 590 -10.511 -27.680 -17.331 1.00 23.73 O ATOM 2387 CG2 THR B 590 -8.183 -28.123 -16.748 1.00 17.12 C ATOM 2388 HG1 THR B 590 -10.751 -27.539 -16.381 1.00 0.00 H ATOM 2389 H THR B 590 -10.662 -25.514 -18.601 1.00 0.00 H ATOM 2390 N CYS B 591 -7.258 -25.031 -18.746 1.00 16.48 N ATOM 2391 CA CYS B 591 -5.889 -24.625 -19.062 1.00 18.81 C ATOM 2392 C CYS B 591 -5.541 -23.249 -18.505 1.00 17.84 C ATOM 2393 O CYS B 591 -4.370 -22.872 -18.516 1.00 18.78 O ATOM 2394 CB CYS B 591 -5.658 -24.655 -20.576 1.00 19.51 C ATOM 2395 SG CYS B 591 -6.799 -23.646 -21.514 1.00 22.16 S ATOM 2396 H CYS B 591 -7.966 -25.111 -19.503 1.00 0.00 H ATOM 2397 N ASN B 592 -6.505 -22.518 -17.966 1.00 15.79 N ATOM 2398 CA ASN B 592 -6.226 -21.227 -17.356 1.00 17.05 C ATOM 2399 C ASN B 592 -5.914 -21.329 -15.865 1.00 15.36 C ATOM 2400 O ASN B 592 -5.683 -20.294 -15.216 1.00 16.06 O ATOM 2401 CB ASN B 592 -7.405 -20.278 -17.575 1.00 15.72 C ATOM 2402 CG ASN B 592 -7.665 -20.020 -19.032 1.00 24.63 C ATOM 2403 OD1 ASN B 592 -6.734 -20.022 -19.839 1.00 26.10 O ATOM 2404 ND2 ASN B 592 -8.929 -19.805 -19.384 1.00 28.74 N ATOM 2405 HD22 ASN B 592 -9.678 -19.814 -18.663 1.00 0.00 H ATOM 2406 HD21 ASN B 592 -9.168 -19.628 -20.380 1.00 0.00 H ATOM 2407 H ASN B 592 -7.482 -22.874 -17.979 1.00 0.00 H ATOM 2408 N ILE B 593 -5.917 -22.541 -15.297 1.00 13.81 N ATOM 2409 CA ILE B 593 -5.502 -22.722 -13.914 1.00 12.89 C ATOM 2410 C ILE B 593 -4.030 -22.363 -13.796 1.00 12.90 C ATOM 2411 O ILE B 593 -3.208 -22.703 -14.663 1.00 14.20 O ATOM 2412 CB ILE B 593 -5.793 -24.162 -13.457 1.00 12.62 C ATOM 2413 CG1 ILE B 593 -7.319 -24.393 -13.398 1.00 12.92 C ATOM 2414 CG2 ILE B 593 -5.085 -24.451 -12.156 1.00 12.15 C ATOM 2415 CD1 ILE B 593 -7.733 -25.847 -13.142 1.00 14.12 C ATOM 2416 H ILE B 593 -6.221 -23.366 -15.853 1.00 0.00 H ATOM 2417 N ARG B 594 -3.704 -21.646 -12.725 1.00 12.29 N ATOM 2418 CA ARG B 594 -2.363 -21.199 -12.409 1.00 12.29 C ATOM 2419 C ARG B 594 -1.903 -21.838 -11.105 1.00 11.47 C ATOM 2420 O ARG B 594 -2.717 -22.168 -10.233 1.00 10.87 O ATOM 2421 CB ARG B 594 -2.322 -19.675 -12.264 1.00 14.51 C ATOM 2422 CG ARG B 594 -2.954 -18.898 -13.402 1.00 21.27 C ATOM 2423 CD ARG B 594 -1.946 -18.629 -14.477 1.00 25.28 C ATOM 2424 NE ARG B 594 -0.737 -17.941 -14.005 1.00 35.14 N ATOM 2425 CZ ARG B 594 -0.586 -16.618 -13.955 1.00 40.71 C ATOM 2426 NH1 ARG B 594 -1.571 -15.811 -14.332 1.00 37.18 N ATOM 2427 NH2 ARG B 594 0.559 -16.102 -13.529 1.00 47.34 N ATOM 2428 HE ARG B 594 0.059 -18.529 -13.687 1.00 0.00 H ATOM 2429 HH12 ARG B 594 -1.444 -14.780 -14.289 1.00 0.00 H ATOM 2430 HH11 ARG B 594 -2.470 -16.210 -14.670 1.00 0.00 H ATOM 2431 HH22 ARG B 594 0.681 -15.070 -13.488 1.00 0.00 H ATOM 2432 HH21 ARG B 594 1.335 -16.729 -13.236 1.00 0.00 H ATOM 2433 H ARG B 594 -4.467 -21.387 -12.067 1.00 0.00 H ATOM 2434 N VAL B 595 -0.591 -21.962 -10.943 1.00 11.56 N ATOM 2435 CA VAL B 595 -0.054 -22.574 -9.734 1.00 10.90 C ATOM 2436 C VAL B 595 1.313 -22.006 -9.405 1.00 11.03 C ATOM 2437 O VAL B 595 2.161 -21.832 -10.285 1.00 11.82 O ATOM 2438 CB VAL B 595 0.013 -24.107 -9.884 1.00 13.27 C ATOM 2439 CG1 VAL B 595 0.803 -24.507 -11.107 1.00 18.20 C ATOM 2440 CG2 VAL B 595 0.622 -24.732 -8.685 1.00 16.31 C ATOM 2441 H VAL B 595 0.056 -21.621 -11.682 1.00 0.00 H ATOM 2442 N THR B 596 1.539 -21.783 -8.109 1.00 10.38 N ATOM 2443 CA THR B 596 2.854 -21.413 -7.613 1.00 10.48 C ATOM 2444 C THR B 596 3.150 -22.212 -6.360 1.00 9.84 C ATOM 2445 O THR B 596 2.245 -22.497 -5.566 1.00 10.02 O ATOM 2446 CB THR B 596 2.971 -19.914 -7.309 1.00 10.62 C ATOM 2447 OG1 THR B 596 4.305 -19.648 -6.828 1.00 11.13 O ATOM 2448 CG2 THR B 596 1.939 -19.446 -6.288 1.00 11.10 C ATOM 2449 HG1 THR B 596 4.469 -20.174 -6.006 1.00 0.00 H ATOM 2450 H THR B 596 0.752 -21.877 -7.435 1.00 0.00 H ATOM 2451 N VAL B 597 4.424 -22.574 -6.200 1.00 10.09 N ATOM 2452 CA VAL B 597 4.911 -23.070 -4.917 1.00 9.61 C ATOM 2453 C VAL B 597 4.830 -21.957 -3.891 1.00 9.48 C ATOM 2454 O VAL B 597 4.969 -20.767 -4.201 1.00 10.98 O ATOM 2455 CB VAL B 597 6.348 -23.596 -5.051 1.00 10.40 C ATOM 2456 CG1 VAL B 597 6.931 -23.941 -3.671 1.00 12.94 C ATOM 2457 CG2 VAL B 597 6.401 -24.789 -5.983 1.00 14.15 C ATOM 2458 H VAL B 597 5.081 -22.501 -7.003 1.00 0.00 H ATOM 2459 N CYS B 598 4.574 -22.355 -2.654 1.00 10.74 N ATOM 2460 CA CYS B 598 4.625 -21.430 -1.542 1.00 12.52 C ATOM 2461 C CYS B 598 5.305 -22.111 -0.371 1.00 11.84 C ATOM 2462 O CYS B 598 5.439 -23.332 -0.311 1.00 12.51 O ATOM 2463 CB CYS B 598 3.240 -20.912 -1.155 1.00 15.83 C ATOM 2464 SG CYS B 598 2.052 -22.152 -0.748 1.00 17.31 S ATOM 2465 H CYS B 598 4.332 -23.351 -2.478 1.00 0.00 H ATOM 2466 N SER B 599 5.875 -21.281 0.480 1.00 13.72 N ATOM 2467 CA SER B 599 6.563 -21.756 1.664 1.00 12.25 C ATOM 2468 C SER B 599 6.047 -20.992 2.874 1.00 11.94 C ATOM 2469 O SER B 599 5.653 -19.824 2.771 1.00 12.15 O ATOM 2470 CB SER B 599 8.069 -21.609 1.525 1.00 19.82 C ATOM 2471 OG SER B 599 8.424 -20.256 1.463 1.00 28.43 O ATOM 2472 HG SER B 599 8.130 -19.801 2.292 1.00 0.00 H ATOM 2473 H SER B 599 5.830 -20.258 0.297 1.00 0.00 H ATOM 2474 N PHE B 600 6.038 -21.683 4.015 1.00 9.44 N ATOM 2475 CA PHE B 600 5.557 -21.157 5.298 1.00 8.94 C ATOM 2476 C PHE B 600 6.745 -21.082 6.246 1.00 9.09 C ATOM 2477 O PHE B 600 7.272 -22.123 6.653 1.00 10.61 O ATOM 2478 CB PHE B 600 4.446 -22.034 5.886 1.00 10.59 C ATOM 2479 CG PHE B 600 3.297 -22.235 4.958 1.00 10.64 C ATOM 2480 CD1 PHE B 600 2.354 -21.223 4.780 1.00 10.07 C ATOM 2481 CD2 PHE B 600 3.166 -23.417 4.259 1.00 9.96 C ATOM 2482 CE1 PHE B 600 1.307 -21.397 3.909 1.00 10.14 C ATOM 2483 CE2 PHE B 600 2.147 -23.595 3.383 1.00 9.41 C ATOM 2484 CZ PHE B 600 1.203 -22.594 3.209 1.00 11.54 C ATOM 2485 H PHE B 600 6.396 -22.659 3.994 1.00 0.00 H ATOM 2486 N ASP B 601 7.184 -19.863 6.594 1.00 9.32 N ATOM 2487 CA ASP B 601 8.433 -19.696 7.346 1.00 9.81 C ATOM 2488 C ASP B 601 8.461 -20.572 8.588 1.00 10.02 C ATOM 2489 O ASP B 601 9.479 -21.200 8.904 1.00 12.01 O ATOM 2490 CB ASP B 601 8.617 -18.240 7.778 1.00 10.22 C ATOM 2491 CG ASP B 601 9.082 -17.315 6.658 1.00 14.94 C ATOM 2492 OD1 ASP B 601 8.876 -17.635 5.474 1.00 16.42 O ATOM 2493 OD2 ASP B 601 9.634 -16.243 6.979 1.00 15.51 O ATOM 2494 H ASP B 601 6.631 -19.024 6.327 1.00 0.00 H ATOM 2495 N ASP B 602 7.367 -20.576 9.346 1.00 9.80 N ATOM 2496 CA ASP B 602 7.287 -21.258 10.632 1.00 10.18 C ATOM 2497 C ASP B 602 6.419 -22.500 10.568 1.00 10.48 C ATOM 2498 O ASP B 602 6.130 -23.099 11.610 1.00 14.33 O ATOM 2499 CB ASP B 602 6.755 -20.300 11.697 1.00 10.83 C ATOM 2500 CG ASP B 602 7.697 -19.144 11.952 1.00 13.46 C ATOM 2501 OD1 ASP B 602 8.938 -19.313 11.877 1.00 17.99 O ATOM 2502 OD2 ASP B 602 7.217 -18.051 12.246 1.00 15.91 O ATOM 2503 H ASP B 602 6.527 -20.067 9.004 1.00 0.00 H ATOM 2504 N GLY B 603 6.021 -22.905 9.367 1.00 10.05 N ATOM 2505 CA GLY B 603 5.089 -23.994 9.172 1.00 11.03 C ATOM 2506 C GLY B 603 3.676 -23.595 9.528 1.00 9.05 C ATOM 2507 O GLY B 603 3.417 -22.511 10.063 1.00 12.19 O ATOM 2508 H GLY B 603 6.397 -22.417 8.529 1.00 0.00 H ATOM 2509 N VAL B 604 2.739 -24.478 9.175 1.00 10.08 N ATOM 2510 CA VAL B 604 1.341 -24.329 9.545 1.00 9.59 C ATOM 2511 C VAL B 604 0.979 -25.512 10.424 1.00 8.89 C ATOM 2512 O VAL B 604 1.121 -26.666 9.994 1.00 11.00 O ATOM 2513 CB VAL B 604 0.429 -24.259 8.314 1.00 9.65 C ATOM 2514 CG1 VAL B 604 -1.032 -24.211 8.755 1.00 11.10 C ATOM 2515 CG2 VAL B 604 0.768 -23.019 7.469 1.00 11.58 C ATOM 2516 H VAL B 604 3.021 -25.306 8.612 1.00 0.00 H ATOM 2517 N ASP B 605 0.525 -25.238 11.649 1.00 9.38 N ATOM 2518 CA ASP B 605 0.174 -26.292 12.615 1.00 10.01 C ATOM 2519 C ASP B 605 -1.262 -26.730 12.318 1.00 9.84 C ATOM 2520 O ASP B 605 -2.224 -26.365 12.998 1.00 11.04 O ATOM 2521 CB ASP B 605 0.345 -25.789 14.048 1.00 11.48 C ATOM 2522 CG ASP B 605 1.803 -25.709 14.493 1.00 22.18 C ATOM 2523 OD1 ASP B 605 2.709 -26.136 13.755 1.00 27.98 O ATOM 2524 OD2 ASP B 605 2.057 -25.179 15.597 1.00 31.77 O ATOM 2525 H ASP B 605 0.415 -24.243 11.931 1.00 0.00 H ATOM 2526 N LEU B 606 -1.400 -27.534 11.273 1.00 10.58 N ATOM 2527 CA LEU B 606 -2.710 -28.065 10.937 1.00 9.48 C ATOM 2528 C LEU B 606 -3.233 -28.867 12.123 1.00 11.45 C ATOM 2529 O LEU B 606 -2.454 -29.555 12.794 1.00 13.71 O ATOM 2530 CB LEU B 606 -2.643 -28.950 9.702 1.00 9.71 C ATOM 2531 CG LEU B 606 -2.267 -28.222 8.408 1.00 8.80 C ATOM 2532 CD1 LEU B 606 -2.144 -29.276 7.282 1.00 10.72 C ATOM 2533 CD2 LEU B 606 -3.262 -27.163 8.009 1.00 8.54 C ATOM 2534 H LEU B 606 -0.572 -27.784 10.695 1.00 0.00 H ATOM 2535 N PRO B 607 -4.537 -28.799 12.414 1.00 11.27 N ATOM 2536 CA PRO B 607 -5.021 -29.360 13.683 1.00 14.80 C ATOM 2537 C PRO B 607 -5.084 -30.872 13.706 1.00 17.85 C ATOM 2538 O PRO B 607 -5.145 -31.430 14.815 1.00 20.97 O ATOM 2539 CB PRO B 607 -6.425 -28.751 13.819 1.00 17.14 C ATOM 2540 CG PRO B 607 -6.842 -28.486 12.431 1.00 12.64 C ATOM 2541 CD PRO B 607 -5.594 -28.070 11.689 1.00 13.37 C ATOM 2542 OXT PRO B 607 -5.066 -31.550 12.680 1.00 16.92 O TER 2543 PRO B 607 HETATM 2544 O HOH 1 -20.224 1.858 20.595 1.00 24.15 O HETATM 2545 O HOH 2 9.274 -7.653 12.555 1.00 28.15 O HETATM 2546 O HOH 3 7.488 -19.876 -1.804 1.00 46.59 O HETATM 2547 O HOH 4 -20.841 -0.706 21.477 1.00 44.62 O HETATM 2548 O HOH 5 -1.726 1.955 7.316 1.00 34.79 O HETATM 2549 O HOH 6 -17.984 -2.775 6.982 1.00 29.33 O HETATM 2550 O HOH 7 5.002 -17.780 13.730 1.00 20.46 O HETATM 2551 O HOH 8 7.638 -6.423 18.867 1.00 49.40 O HETATM 2552 O HOH 9 12.400 2.802 -9.038 1.00 39.52 O HETATM 2553 O HOH 10 -14.097 1.629 11.528 1.00 46.21 O HETATM 2554 O HOH 11 9.480 -21.390 -1.585 1.00 34.22 O HETATM 2555 O HOH 12 6.357 -2.832 13.697 1.00 17.17 O HETATM 2556 O HOH 13 -11.628 -15.111 27.479 1.00 40.00 O HETATM 2557 O HOH 14 -4.720 -13.321 27.072 1.00 37.65 O HETATM 2558 O HOH 15 5.902 -0.190 -12.266 1.00 40.70 O HETATM 2559 O HOH 16 9.808 -1.303 -2.795 1.00 30.17 O HETATM 2560 O HOH 17 -11.364 -12.455 22.351 1.00 35.65 O HETATM 2561 O HOH 18 -9.866 -22.234 1.506 1.00 11.90 O HETATM 2562 O HOH 19 -15.792 -6.310 15.860 1.00 29.40 O HETATM 2563 O HOH 20 2.272 -21.074 12.034 1.00 12.00 O HETATM 2564 O HOH 21 3.816 3.364 17.671 1.00 21.89 O HETATM 2565 O HOH 22 9.175 -15.276 9.595 1.00 15.71 O HETATM 2566 O HOH 23 -7.765 -33.330 6.377 1.00 15.87 O HETATM 2567 O HOH 24 10.328 -18.195 1.837 1.00 31.56 O HETATM 2568 O HOH 25 -12.635 -22.733 15.099 1.00 32.40 O HETATM 2569 O HOH 26 11.340 2.668 4.086 1.00 32.16 O HETATM 2570 O HOH 27 -3.353 -21.848 19.238 1.00 35.40 O HETATM 2571 O HOH 28 12.003 -22.080 -4.808 1.00 30.83 O HETATM 2572 O HOH 29 -16.598 -21.695 8.867 1.00 41.19 O HETATM 2573 O HOH 30 -12.289 -21.699 19.417 1.00 31.20 O HETATM 2574 O HOH 31 -19.091 8.795 19.301 1.00 36.58 O HETATM 2575 O HOH 32 -11.711 -11.198 0.941 1.00 10.86 O HETATM 2576 O HOH 33 9.413 -16.690 -10.595 1.00 31.86 O HETATM 2577 O HOH 34 1.651 -4.950 0.023 1.00 22.23 O HETATM 2578 O HOH 35 1.542 -10.915 -8.581 1.00 14.16 O HETATM 2579 O HOH 36 -6.318 -14.163 -11.225 1.00 26.40 O HETATM 2580 O HOH 37 0.688 3.115 11.407 1.00 26.46 O HETATM 2581 O HOH 38 8.014 -10.269 -8.791 1.00 33.38 O HETATM 2582 O HOH 39 -8.955 -21.215 20.450 1.00 28.12 O HETATM 2583 O HOH 40 6.531 -7.158 -5.222 1.00 13.03 O HETATM 2584 O HOH 41 7.672 -22.162 -11.811 1.00 23.59 O HETATM 2585 O HOH 42 -8.256 1.983 5.603 1.00 29.85 O HETATM 2586 O HOH 43 6.318 -22.100 -8.276 1.00 12.16 O HETATM 2587 O HOH 44 -2.083 -8.996 -9.787 1.00 24.44 O HETATM 2588 O HOH 45 9.873 -20.680 -9.560 1.00 19.05 O HETATM 2589 O HOH 46 -0.259 -2.724 -2.463 1.00 34.27 O HETATM 2590 O HOH 47 -10.466 4.500 21.622 1.00 27.46 O HETATM 2591 O HOH 48 11.016 -10.777 14.682 1.00 26.01 O HETATM 2592 O HOH 49 0.406 -5.327 -9.716 1.00 28.83 O HETATM 2593 O HOH 50 -7.973 0.034 4.071 1.00 25.24 O HETATM 2594 O HOH 51 -4.427 -6.431 27.551 1.00 24.67 O HETATM 2595 O HOH 52 5.549 0.465 6.506 1.00 15.57 O HETATM 2596 O HOH 53 2.163 -8.030 23.320 1.00 27.50 O HETATM 2597 O HOH 54 11.213 -17.108 -7.002 1.00 24.29 O HETATM 2598 O HOH 55 5.030 -5.482 16.553 1.00 13.88 O HETATM 2599 O HOH 56 -8.565 -9.578 -13.895 1.00 27.06 O HETATM 2600 O HOH 57 0.249 -15.552 17.488 1.00 14.85 O HETATM 2601 O HOH 58 10.558 -4.028 12.555 1.00 41.49 O HETATM 2602 O HOH 59 7.877 -13.775 2.639 1.00 14.14 O HETATM 2603 O HOH 60 9.315 -17.731 -2.457 1.00 22.76 O HETATM 2604 O HOH 61 -16.005 -16.910 4.644 1.00 30.48 O HETATM 2605 O HOH 62 -18.840 1.018 26.741 1.00 24.56 O HETATM 2606 O HOH 63 -14.010 -21.721 1.730 1.00 15.07 O HETATM 2607 O HOH 64 0.860 -14.234 19.904 1.00 12.18 O HETATM 2608 O HOH 65 -8.219 -41.258 2.751 1.00 24.04 O HETATM 2609 O HOH 66 -0.823 -14.926 21.979 1.00 16.19 O HETATM 2610 O HOH 67 12.282 -10.653 12.323 1.00 14.79 O HETATM 2611 O HOH 68 -14.252 -19.063 2.089 1.00 20.75 O HETATM 2612 O HOH 69 -16.540 -25.500 3.872 1.00 36.32 O HETATM 2613 O HOH 70 -1.238 -18.088 19.750 1.00 16.01 O HETATM 2614 O HOH 71 -6.271 -3.587 20.053 1.00 18.31 O HETATM 2615 O HOH 72 -14.931 -30.511 11.156 1.00 32.92 O HETATM 2616 O HOH 73 -14.986 -16.093 19.784 1.00 31.43 O HETATM 2617 O HOH 74 -13.754 -42.830 3.857 1.00 49.12 O HETATM 2618 O HOH 75 -14.380 -33.413 8.603 1.00 28.90 O HETATM 2619 O HOH 76 -13.797 -10.695 8.522 1.00 17.76 O HETATM 2620 O HOH 77 -3.256 3.716 16.590 1.00 31.86 O HETATM 2621 O HOH 78 -11.053 -8.561 -12.019 1.00 27.97 O HETATM 2622 O HOH 79 -4.361 -4.321 23.403 1.00 30.53 O HETATM 2623 O HOH 80 -10.453 -20.887 13.974 1.00 16.19 O HETATM 2624 O HOH 81 -18.970 -34.999 2.285 1.00 44.72 O HETATM 2625 O HOH 82 6.023 -5.462 13.900 1.00 12.57 O HETATM 2626 O HOH 83 -16.597 3.592 17.228 1.00 31.56 O HETATM 2627 O HOH 84 10.048 -12.532 -4.286 1.00 23.41 O HETATM 2628 O HOH 85 8.381 -14.162 -8.132 1.00 41.24 O HETATM 2629 O HOH 86 -8.274 -15.329 28.408 1.00 28.47 O HETATM 2630 O HOH 87 -13.901 -31.081 1.759 1.00 22.71 O HETATM 2631 O HOH 88 5.389 -6.509 -12.814 1.00 35.87 O HETATM 2632 O HOH 89 -13.956 -35.127 10.374 1.00 32.54 O HETATM 2633 O HOH 90 -1.764 -13.976 26.267 1.00 35.55 O HETATM 2634 O HOH 91 4.657 -0.591 8.904 1.00 18.07 O HETATM 2635 O HOH 92 11.888 -14.700 10.991 1.00 29.14 O HETATM 2636 O HOH 93 -17.192 -5.890 18.608 1.00 27.74 O HETATM 2637 O HOH 94 -14.951 -14.165 5.195 1.00 14.74 O HETATM 2638 O HOH 95 -6.825 -22.060 18.263 1.00 29.09 O HETATM 2639 O HOH 96 6.903 -3.970 17.821 1.00 25.37 O HETATM 2640 O HOH 97 -14.858 -32.363 5.511 1.00 25.80 O HETATM 2641 O HOH 98 -15.022 -21.033 15.672 1.00 20.73 O HETATM 2642 O HOH 99 -15.886 -9.229 4.697 1.00 25.45 O HETATM 2643 O HOH 100 4.145 -5.556 1.630 1.00 22.71 O HETATM 2644 O HOH 101 3.823 -20.375 14.201 1.00 21.42 O HETATM 2645 O HOH 102 11.739 1.318 11.202 1.00 26.22 O HETATM 2646 O HOH 103 -10.643 -40.680 11.935 1.00 43.15 O HETATM 2647 O HOH 104 8.703 -14.995 -3.379 1.00 25.84 O HETATM 2648 O HOH 105 4.241 -15.896 -12.528 1.00 38.68 O HETATM 2649 O HOH 106 -11.331 -10.694 18.656 1.00 24.45 O HETATM 2650 O HOH 107 0.164 -32.763 11.748 1.00 24.71 O HETATM 2651 O HOH 108 -16.651 -18.019 16.816 1.00 19.90 O HETATM 2652 O HOH 109 -12.810 -3.596 7.321 1.00 29.35 O HETATM 2653 O HOH 110 2.063 -1.390 -6.300 1.00 27.53 O HETATM 2654 O HOH 111 -8.435 -39.019 14.150 1.00 43.22 O HETATM 2655 O HOH 112 6.623 0.921 -4.859 1.00 35.32 O HETATM 2656 O HOH 113 -16.915 -9.541 18.422 1.00 34.03 O HETATM 2657 O HOH 114 -1.760 -39.275 8.918 1.00 24.84 O HETATM 2658 O HOH 115 12.352 -1.308 -9.421 1.00 45.24 O HETATM 2659 O HOH 116 -15.692 -23.574 11.774 1.00 38.24 O HETATM 2660 O HOH 117 -6.699 -9.013 28.039 1.00 45.24 O HETATM 2661 O HOH 118 -0.615 1.058 9.135 1.00 35.19 O HETATM 2662 O HOH 119 -3.370 -0.851 -2.922 1.00 16.62 O HETATM 2663 O HOH 120 -19.006 -1.392 20.230 1.00 35.58 O HETATM 2664 O HOH 121 9.082 -8.156 -5.621 1.00 29.81 O HETATM 2665 O HOH 122 7.949 -8.616 17.971 1.00 38.78 O HETATM 2666 O HOH 123 -10.115 2.288 13.924 1.00 31.67 O HETATM 2667 O HOH 124 -14.613 -2.209 8.125 1.00 44.65 O HETATM 2668 O HOH 125 -1.226 3.331 5.203 1.00 39.33 O HETATM 2669 O HOH 126 10.535 -1.164 -5.834 1.00 27.18 O HETATM 2670 O HOH 127 9.003 -14.492 -5.211 1.00 35.35 O HETATM 2671 O HOH 128 2.349 2.902 9.586 1.00 35.71 O HETATM 2672 O HOH 129 1.158 3.386 0.191 1.00 45.12 O HETATM 2673 O HOH 130 -9.868 -20.503 24.132 1.00 47.97 O HETATM 2674 O HOH 131 -9.884 -22.554 16.201 1.00 33.45 O HETATM 2675 O HOH 132 -11.068 -29.622 14.255 1.00 23.96 O HETATM 2676 O HOH 133 1.918 -17.660 16.084 1.00 13.15 O HETATM 2677 O HOH 134 3.348 -12.524 -10.155 1.00 30.44 O HETATM 2678 O HOH 135 -7.821 -6.942 26.005 1.00 21.50 O HETATM 2679 O HOH 136 -14.704 -23.167 4.018 1.00 45.19 O HETATM 2680 O HOH 137 -15.420 -35.216 6.401 1.00 43.48 O HETATM 2681 O HOH 138 -17.446 -7.892 20.325 1.00 43.04 O HETATM 2682 O HOH 139 10.602 -13.304 14.981 1.00 35.53 O HETATM 2683 O HOH 140 8.630 -6.161 13.821 1.00 26.62 O HETATM 2684 O HOH 141 8.085 -14.340 15.819 1.00 38.16 O HETATM 2685 O HOH 142 -12.353 1.769 12.708 1.00 45.05 O HETATM 2686 O HOH 143 5.197 5.383 10.559 1.00 40.88 O HETATM 2687 O HOH 144 -16.324 -4.671 6.099 1.00 28.40 O HETATM 2688 O HOH 145 -11.569 -19.451 24.539 1.00 42.97 O HETATM 2689 O HOH 146 5.098 3.219 9.371 1.00 31.36 O HETATM 2690 O HOH 147 -16.064 -12.594 7.276 1.00 21.97 O HETATM 2691 O HOH 148 6.387 -12.468 -9.125 1.00 37.47 O HETATM 2692 O HOH 149 0.698 -9.390 -10.695 1.00 28.30 O HETATM 2693 O HOH 150 8.690 -3.245 15.780 1.00 35.08 O HETATM 2694 O HOH 151 -17.285 10.379 22.589 1.00 36.54 O HETATM 2695 O HOH 152 -0.895 4.873 15.211 1.00 38.93 O HETATM 2696 O HOH 153 -7.354 -22.820 20.334 1.00 49.83 O HETATM 2697 O HOH 154 -2.661 1.616 -0.460 1.00 29.26 O HETATM 2698 O HOH 155 -18.983 -18.294 14.954 1.00 42.49 O HETATM 2699 O HOH 156 -4.968 1.466 -1.704 1.00 27.22 O HETATM 2700 O HOH 157 1.482 4.013 7.318 1.00 42.76 O HETATM 2701 O HOH 158 -10.669 -9.664 22.274 1.00 21.94 O HETATM 2702 O HOH 159 -13.614 -12.522 20.063 1.00 37.05 O HETATM 2703 O HOH 160 -8.861 3.261 19.981 1.00 40.71 O HETATM 2704 O HOH 161 -17.185 -30.968 11.018 1.00 46.62 O HETATM 2705 O HOH 162 -9.974 3.808 7.443 1.00 55.45 O HETATM 2706 O HOH 163 -15.456 -21.388 6.076 1.00 39.94 O HETATM 2707 O HOH 164 -2.947 4.147 0.892 1.00 43.09 O HETATM 2708 O HOH 165 9.905 -6.628 16.371 1.00 52.94 O HETATM 2709 O HOH 166 5.603 3.165 6.900 1.00 29.86 O HETATM 2710 O HOH 167 -5.830 -40.889 1.727 1.00 21.98 O HETATM 2711 O HOH 168 -0.919 4.494 11.215 1.00 50.45 O HETATM 2712 O HOH 169 1.255 -7.183 -11.521 1.00 40.57 O HETATM 2713 O HOH 170 -0.194 -15.967 24.229 1.00 36.78 O HETATM 2714 O HOH 171 10.590 -20.772 -12.378 1.00 40.97 O HETATM 2715 O HOH 172 -11.687 -2.292 4.654 1.00 30.86 O HETATM 2716 O HOH 173 9.725 -10.326 -6.767 1.00 38.13 O HETATM 2717 O HOH 174 -11.941 -23.983 17.013 1.00 47.64 O HETATM 2718 O HOH 175 10.343 -4.843 15.006 1.00 50.12 O HETATM 2719 O HOH 176 -16.184 -11.510 20.994 1.00 52.53 O HETATM 2720 O HOH 177 12.156 -17.893 -2.627 1.00 34.09 O HETATM 2721 O HOH 178 -12.475 -7.912 25.874 1.00 29.30 O HETATM 2722 O HOH 179 1.191 0.829 -5.041 1.00 42.48 O HETATM 2723 O HOH 180 -5.993 -16.010 -12.695 1.00 37.50 O HETATM 2724 O HOH 181 -14.147 -5.800 26.179 1.00 39.12 O HETATM 2725 O HOH 182 -12.908 -31.384 14.516 1.00 45.25 O HETATM 2726 O HOH 183 3.309 -14.998 20.570 1.00 37.53 O HETATM 2727 O HOH 184 -7.601 -23.983 16.950 1.00 40.72 O HETATM 2728 O HOH 185 -10.588 -37.090 15.159 1.00 47.42 O HETATM 2729 O HOH 186 11.936 -19.337 -8.396 1.00 24.48 O HETATM 2730 O HOH 187 1.015 -2.649 -10.638 1.00 33.81 O HETATM 2731 O HOH 188 -3.926 -40.787 7.571 1.00 44.69 O HETATM 2732 O HOH 189 -8.371 0.762 1.165 1.00 31.67 O HETATM 2733 O HOH 190 10.537 -1.387 17.346 1.00 41.81 O HETATM 2734 O HOH 191 10.577 0.277 18.491 1.00 42.25 O HETATM 2735 O HOH 192 -10.802 2.930 5.694 1.00 51.30 O HETATM 2736 O HOH 193 10.872 -1.306 19.225 1.00 51.22 O HETATM 2737 O HOH 194 -12.149 12.429 19.773 1.00 53.67 O HETATM 2738 O HOH 195 -10.563 -27.707 16.898 1.00 37.85 O HETATM 2739 O HOH 196 -9.288 -12.541 -13.966 1.00 39.24 O HETATM 2740 O HOH 197 -10.677 -25.454 17.679 1.00 41.31 O HETATM 2741 O HOH 198 -19.379 -20.910 13.405 1.00 47.38 O HETATM 2742 O HOH 199 -7.725 3.479 1.738 1.00 35.35 O HETATM 2743 O HOH 200 9.591 -30.051 -11.093 1.00 29.88 O HETATM 2744 O HOH 201 9.005 -39.414 1.996 1.00 35.51 O HETATM 2745 O HOH 202 -7.324 -43.440 -6.564 1.00 44.87 O HETATM 2746 O HOH 203 12.215 -31.856 8.245 1.00 36.90 O HETATM 2747 O HOH 204 12.159 -34.744 -9.460 1.00 45.03 O HETATM 2748 O HOH 205 -14.157 -26.457 -20.589 1.00 61.45 O HETATM 2749 O HOH 206 6.109 -41.437 4.633 1.00 45.97 O HETATM 2750 O HOH 207 -6.653 -39.970 -17.093 1.00 33.05 O HETATM 2751 O HOH 208 8.152 -37.511 -6.808 1.00 36.79 O HETATM 2752 O HOH 209 -18.225 -11.987 -6.975 1.00 33.98 O HETATM 2753 O HOH 210 10.131 -26.731 -13.149 1.00 35.08 O HETATM 2754 O HOH 211 -2.703 -4.011 -12.134 1.00 24.19 O HETATM 2755 O HOH 212 2.140 -34.124 10.755 1.00 24.18 O HETATM 2756 O HOH 213 9.040 -22.640 -7.765 1.00 16.11 O HETATM 2757 O HOH 214 10.667 -17.417 12.185 1.00 40.18 O HETATM 2758 O HOH 215 -2.837 -25.332 -23.430 1.00 39.50 O HETATM 2759 O HOH 216 4.045 -20.660 -11.622 1.00 19.06 O HETATM 2760 O HOH 217 7.516 -32.829 14.762 1.00 40.42 O HETATM 2761 O HOH 218 -10.533 -29.375 2.647 1.00 14.31 O HETATM 2762 O HOH 219 -7.659 -43.004 -10.514 1.00 36.16 O HETATM 2763 O HOH 220 4.557 -25.641 16.200 1.00 39.57 O HETATM 2764 O HOH 221 9.320 -19.694 3.857 1.00 25.01 O HETATM 2765 O HOH 222 -10.190 -18.080 2.048 1.00 13.94 O HETATM 2766 O HOH 223 1.248 -17.796 -9.739 1.00 13.04 O HETATM 2767 O HOH 224 -8.063 3.611 -11.907 1.00 28.24 O HETATM 2768 O HOH 225 -12.763 -30.647 -4.580 1.00 16.14 O HETATM 2769 O HOH 226 -14.223 -28.430 -15.963 1.00 39.73 O HETATM 2770 O HOH 227 -2.011 0.649 -10.197 1.00 27.48 O HETATM 2771 O HOH 228 -16.715 -15.726 -0.036 1.00 33.29 O HETATM 2772 O HOH 229 -16.460 -13.344 3.051 1.00 25.85 O HETATM 2773 O HOH 230 12.896 -27.645 -3.432 1.00 23.07 O HETATM 2774 O HOH 231 10.294 -41.286 10.286 1.00 18.89 O HETATM 2775 O HOH 232 9.762 -28.174 10.576 1.00 21.30 O HETATM 2776 O HOH 233 -0.692 -23.633 -14.878 1.00 16.63 O HETATM 2777 O HOH 234 -7.000 -0.779 -0.633 1.00 14.90 O HETATM 2778 O HOH 235 -16.375 -18.209 -8.925 1.00 23.07 O HETATM 2779 O HOH 236 1.606 -31.737 -20.680 1.00 18.20 O HETATM 2780 O HOH 237 -16.086 -7.538 -5.043 1.00 20.96 O HETATM 2781 O HOH 238 -16.656 -10.268 -7.363 1.00 23.01 O HETATM 2782 O HOH 239 -6.270 -40.103 -0.797 1.00 24.43 O HETATM 2783 O HOH 240 4.917 -37.367 8.112 1.00 32.79 O HETATM 2784 O HOH 241 7.496 -30.196 -15.896 1.00 40.38 O HETATM 2785 O HOH 242 -9.633 -6.925 -2.941 1.00 12.42 O HETATM 2786 O HOH 243 11.132 -33.708 -11.250 1.00 33.89 O HETATM 2787 O HOH 244 8.335 -15.962 13.600 1.00 15.77 O HETATM 2788 O HOH 245 -5.920 -42.074 -2.554 1.00 32.83 O HETATM 2789 O HOH 246 12.050 -36.241 3.876 1.00 30.20 O HETATM 2790 O HOH 247 -20.476 -21.424 -4.625 1.00 15.55 O HETATM 2791 O HOH 248 -2.661 -21.319 -17.045 1.00 18.61 O HETATM 2792 O HOH 249 -13.876 -19.085 -15.618 1.00 37.69 O HETATM 2793 O HOH 250 6.690 -16.306 10.197 1.00 9.70 O HETATM 2794 O HOH 251 3.395 -28.005 10.743 1.00 12.77 O HETATM 2795 O HOH 252 -18.789 -25.452 3.293 1.00 36.94 O HETATM 2796 O HOH 253 -4.333 -39.368 3.450 1.00 20.32 O HETATM 2797 O HOH 254 6.795 -38.618 10.158 1.00 22.01 O HETATM 2798 O HOH 255 -15.103 -9.809 1.977 1.00 19.43 O HETATM 2799 O HOH 256 -13.158 -24.367 -24.104 1.00 32.60 O HETATM 2800 O HOH 257 8.436 -31.266 7.130 1.00 12.56 O HETATM 2801 O HOH 258 3.370 -33.952 2.509 1.00 15.66 O HETATM 2802 O HOH 259 -17.508 -32.359 -11.193 1.00 29.39 O HETATM 2803 O HOH 260 -13.770 -40.549 -6.600 1.00 39.25 O HETATM 2804 O HOH 261 9.672 -15.746 3.622 1.00 22.20 O HETATM 2805 O HOH 262 0.089 -30.248 11.962 1.00 19.22 O HETATM 2806 O HOH 263 -2.346 -42.499 -5.071 1.00 34.67 O HETATM 2807 O HOH 264 6.138 -38.236 -7.076 1.00 18.85 O HETATM 2808 O HOH 265 -5.641 -25.954 -24.228 1.00 42.28 O HETATM 2809 O HOH 266 -0.574 -37.495 -17.332 1.00 20.21 O HETATM 2810 O HOH 267 -11.370 -36.880 -4.254 1.00 15.14 O HETATM 2811 O HOH 268 -4.487 4.203 -8.584 1.00 29.25 O HETATM 2812 O HOH 269 -0.124 -24.922 -17.421 1.00 15.59 O HETATM 2813 O HOH 270 -7.474 4.032 -3.656 1.00 41.33 O HETATM 2814 O HOH 271 7.245 -38.682 -4.793 1.00 18.21 O HETATM 2815 O HOH 272 -10.781 -19.092 -17.070 1.00 26.79 O HETATM 2816 O HOH 273 14.547 -37.397 12.749 1.00 26.93 O HETATM 2817 O HOH 274 -2.039 -24.263 -19.259 1.00 18.79 O HETATM 2818 O HOH 275 6.462 -33.049 -11.979 1.00 18.49 O HETATM 2819 O HOH 276 2.625 -41.538 -9.200 1.00 32.97 O HETATM 2820 O HOH 277 -14.689 -31.901 -1.141 1.00 18.72 O HETATM 2821 O HOH 278 7.266 -35.666 -11.639 1.00 28.84 O HETATM 2822 O HOH 279 8.971 -39.524 6.460 1.00 23.59 O HETATM 2823 O HOH 280 -1.895 -6.522 -9.011 1.00 14.28 O HETATM 2824 O HOH 281 10.131 -39.699 15.088 1.00 15.82 O HETATM 2825 O HOH 282 -13.039 -37.765 -17.403 1.00 24.77 O HETATM 2826 O HOH 283 0.824 -21.759 -13.656 1.00 15.96 O HETATM 2827 O HOH 284 14.302 -34.799 8.340 1.00 43.34 O HETATM 2828 O HOH 285 -4.557 -25.407 14.379 1.00 33.97 O HETATM 2829 O HOH 286 5.773 -32.958 0.381 1.00 15.22 O HETATM 2830 O HOH 287 1.125 -40.073 -6.896 1.00 29.45 O HETATM 2831 O HOH 288 -11.579 -19.764 -10.366 1.00 14.24 O HETATM 2832 O HOH 289 13.784 -36.297 -1.777 1.00 26.00 O HETATM 2833 O HOH 290 -14.190 -10.772 -10.143 1.00 22.07 O HETATM 2834 O HOH 291 12.907 -36.999 7.727 1.00 21.10 O HETATM 2835 O HOH 292 9.358 -24.929 2.488 1.00 23.97 O HETATM 2836 O HOH 293 -3.483 -35.204 -20.140 1.00 32.12 O HETATM 2837 O HOH 294 -14.963 -17.979 -0.165 1.00 31.90 O HETATM 2838 O HOH 295 -13.500 -1.417 -2.828 1.00 18.20 O HETATM 2839 O HOH 296 -8.200 -18.000 -14.916 1.00 31.28 O HETATM 2840 O HOH 297 3.958 -42.570 -15.885 1.00 35.65 O HETATM 2841 O HOH 298 -10.034 2.344 -10.377 1.00 32.59 O HETATM 2842 O HOH 299 7.108 -29.062 -18.805 1.00 52.85 O HETATM 2843 O HOH 300 -17.548 -38.561 -3.588 1.00 41.32 O HETATM 2844 O HOH 301 -17.336 -30.614 -13.947 1.00 28.88 O HETATM 2845 O HOH 302 11.520 -28.922 2.572 1.00 14.62 O HETATM 2846 O HOH 303 -9.319 -18.702 -22.121 1.00 35.65 O HETATM 2847 O HOH 304 -17.612 -18.896 -4.011 1.00 27.41 O HETATM 2848 O HOH 305 -9.396 -24.235 -25.180 1.00 33.97 O HETATM 2849 O HOH 306 -11.069 -17.710 -12.861 1.00 30.32 O HETATM 2850 O HOH 307 7.602 -40.188 -0.134 1.00 29.65 O HETATM 2851 O HOH 308 8.236 -24.057 13.513 1.00 48.54 O HETATM 2852 O HOH 309 -16.615 -8.719 -1.720 1.00 19.22 O HETATM 2853 O HOH 310 -15.723 -19.662 -12.089 1.00 20.77 O HETATM 2854 O HOH 311 11.085 -30.556 4.489 1.00 20.74 O HETATM 2855 O HOH 312 -12.688 0.909 -4.393 1.00 30.22 O HETATM 2856 O HOH 313 12.604 -30.211 0.431 1.00 13.74 O HETATM 2857 O HOH 314 5.172 -26.234 11.920 1.00 28.32 O HETATM 2858 O HOH 315 -5.131 -36.499 -18.425 1.00 39.58 O HETATM 2859 O HOH 316 3.696 -42.078 2.239 1.00 38.71 O HETATM 2860 O HOH 317 -6.528 -35.787 -16.520 1.00 34.49 O HETATM 2861 O HOH 318 -13.218 -39.324 -4.882 1.00 20.43 O HETATM 2862 O HOH 319 1.423 -42.459 -2.758 1.00 32.77 O HETATM 2863 O HOH 320 2.443 -36.524 9.469 1.00 22.68 O HETATM 2864 O HOH 321 7.720 -25.264 -15.080 1.00 45.40 O HETATM 2865 O HOH 322 -15.997 -7.592 0.591 1.00 27.18 O HETATM 2866 O HOH 323 5.018 -41.155 -7.698 1.00 41.76 O HETATM 2867 O HOH 324 -0.300 -38.316 5.376 1.00 28.85 O HETATM 2868 O HOH 325 -15.734 -0.123 -6.021 1.00 37.23 O HETATM 2869 O HOH 326 -16.813 -37.648 -11.130 1.00 20.27 O HETATM 2870 O HOH 327 4.635 -38.544 -17.605 1.00 36.29 O HETATM 2871 O HOH 328 2.569 -18.345 -12.118 1.00 20.33 O HETATM 2872 O HOH 329 13.854 -25.914 -6.937 1.00 40.21 O HETATM 2873 O HOH 330 9.732 -23.806 -13.599 1.00 45.65 O HETATM 2874 O HOH 331 -16.874 -1.559 -3.742 1.00 31.98 O HETATM 2875 O HOH 332 0.362 -38.234 8.032 1.00 31.09 O HETATM 2876 O HOH 333 8.225 -25.760 10.806 1.00 31.16 O HETATM 2877 O HOH 334 4.768 -36.075 13.142 1.00 39.12 O HETATM 2878 O HOH 335 -0.140 -40.453 3.715 1.00 37.28 O HETATM 2879 O HOH 336 0.764 -43.687 -12.697 1.00 39.44 O HETATM 2880 O HOH 337 9.244 -32.186 -12.096 1.00 30.99 O HETATM 2881 O HOH 338 2.548 -30.710 12.383 1.00 32.38 O HETATM 2882 O HOH 339 -8.652 -30.960 15.517 1.00 39.35 O HETATM 2883 O HOH 340 1.394 -18.986 -16.723 1.00 47.61 O HETATM 2884 O HOH 341 5.602 -40.693 0.647 1.00 38.24 O HETATM 2885 O HOH 342 -18.386 -10.884 -1.926 1.00 25.91 O HETATM 2886 O HOH 343 9.410 -31.153 -14.978 1.00 45.52 O HETATM 2887 O HOH 344 -5.916 -29.100 17.752 1.00 36.69 O HETATM 2888 O HOH 345 -15.155 -22.541 -23.263 1.00 51.12 O HETATM 2889 O HOH 346 -15.487 -5.142 1.028 1.00 18.51 O HETATM 2890 O HOH 347 9.745 -42.401 14.791 1.00 22.27 O HETATM 2891 O HOH 348 10.922 -30.081 7.212 1.00 21.58 O HETATM 2892 O HOH 349 1.132 -34.221 -20.388 1.00 28.82 O HETATM 2893 O HOH 350 -3.359 -18.495 -17.849 1.00 46.22 O HETATM 2894 O HOH 351 -1.161 -1.610 -11.739 1.00 30.16 O HETATM 2895 O HOH 352 3.091 -34.216 13.458 1.00 33.94 O HETATM 2896 O HOH 353 11.194 -27.685 8.305 1.00 31.01 O HETATM 2897 O HOH 354 -0.925 -35.033 -18.966 1.00 29.06 O HETATM 2898 O HOH 355 1.716 -38.405 -18.445 1.00 28.24 O HETATM 2899 O HOH 356 -1.379 -23.125 -21.560 1.00 32.38 O HETATM 2900 O HOH 357 -9.031 -16.277 -13.716 1.00 40.06 O HETATM 2901 O HOH 358 -5.196 -26.116 16.319 1.00 50.93 O HETATM 2902 O HOH 359 -18.442 -7.419 -3.338 1.00 21.28 O HETATM 2903 O HOH 360 -5.441 -39.621 5.803 1.00 36.99 O HETATM 2904 O HOH 361 2.117 -23.638 -18.084 1.00 34.64 O HETATM 2905 O HOH 362 -1.823 -39.554 -18.390 1.00 31.35 O HETATM 2906 O HOH 363 13.555 -35.800 5.692 1.00 45.45 O HETATM 2907 O HOH 364 -18.985 -8.454 -6.766 1.00 37.41 O HETATM 2908 O HOH 365 0.026 -20.943 -17.482 1.00 38.30 O HETATM 2909 O HOH 366 -16.521 -18.889 -1.314 1.00 41.80 O HETATM 2910 O HOH 367 14.619 -34.755 0.015 1.00 37.45 O HETATM 2911 O HOH 368 -15.769 -36.714 -17.474 1.00 31.65 O HETATM 2912 O HOH 369 -15.965 -1.233 -1.155 1.00 31.29 O HETATM 2913 O HOH 370 -4.277 -44.255 -1.453 1.00 47.34 O HETATM 2914 O HOH 371 -12.039 -12.979 -13.720 1.00 37.52 O HETATM 2915 O HOH 372 -4.683 -43.279 1.510 1.00 32.20 O HETATM 2916 C13 MOL A 373 -10.731 -33.596 -18.290 1.00 -0.08 C HETATM 2917 C12 MOL A 373 -11.155 -32.356 -18.734 1.00 -0.08 C HETATM 2918 C11 MOL A 373 -10.631 -31.430 -17.845 1.00 0.03 C HETATM 2919 N10 MOL A 373 -9.960 -32.080 -16.900 1.00 -0.24 N HETATM 2920 C03 MOL A 373 -9.324 -31.493 -15.891 1.00 0.11 C HETATM 2921 C02 MOL A 373 -7.988 -31.785 -15.691 1.00 -0.02 C HETATM 2922 C01 MOL A 373 -7.291 -31.168 -14.664 1.00 -0.06 C HETATM 2923 C06 MOL A 373 -7.922 -30.268 -13.834 1.00 -0.06 C HETATM 2924 C05 MOL A 373 -9.254 -29.977 -14.012 1.00 -0.05 C HETATM 2925 C04 MOL A 373 -9.959 -30.586 -15.035 1.00 0.04 C HETATM 2926 C07 MOL A 373 -11.420 -30.172 -15.133 1.00 0.06 C HETATM 2927 O08 MOL A 373 -12.334 -31.005 -14.891 1.00 -0.56 O HETATM 2928 O09 MOL A 373 -11.687 -28.983 -15.441 1.00 -0.56 O HETATM 2929 H4 MOL A 373 -9.750 -29.273 -13.353 1.00 0.06 H HETATM 2930 H5 MOL A 373 -7.366 -29.787 -13.037 1.00 0.06 H HETATM 2931 H2 MOL A 373 -6.242 -31.395 -14.513 1.00 0.06 H HETATM 2932 H3 MOL A 373 -7.486 -32.496 -16.337 1.00 0.06 H HETATM 2933 C14 MOL A 373 -9.976 -33.380 -17.146 1.00 0.03 C HETATM 2934 H8 MOL A 373 -9.482 -34.148 -16.553 1.00 0.08 H HETATM 2935 H6 MOL A 373 -10.750 -30.349 -17.910 1.00 0.08 H HETATM 2936 H7 MOL A 373 -11.775 -32.149 -19.605 1.00 0.03 H HETATM 2937 H1 MOL A 373 -10.948 -34.559 -18.751 1.00 0.03 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1296 1297 1303 1304 1305 CONECT 1303 1296 CONECT 1304 1296 CONECT 1305 1296 CONECT 2916 2917 2933 2937 CONECT 2917 2916 2918 2936 CONECT 2918 2917 2919 2935 CONECT 2919 2918 2920 2933 CONECT 2920 2919 2921 2925 CONECT 2921 2920 2922 2932 CONECT 2922 2921 2923 2931 CONECT 2923 2922 2924 2930 CONECT 2924 2923 2925 2929 CONECT 2925 2920 2924 2926 CONECT 2926 2925 2927 2928 CONECT 2927 2926 CONECT 2928 2926 CONECT 2929 2924 CONECT 2930 2923 CONECT 2931 2922 CONECT 2932 2921 CONECT 2933 2916 2919 2934 CONECT 2934 2933 CONECT 2935 2918 CONECT 2936 2917 CONECT 2937 2916 MASTER 0 0 0 0 0 0 0 0 2935 2 30 22 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 6npi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6npp
RCSB PDB
PDBbind
134aa, >6NPP_2|Chain... at 100%
6npm
RCSB PDB
PDBbind
141aa, >6NPM_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
6npi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Epstein-Barr Virus Nuclear Antigen-1, EBNA1
Ligand Name
60Q
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Sci Transl Med Vol. 11: pp.eaau5612
Ligand Properties
Formula
C
1
1
H
9
NO
2
Molecular Weight
187.195
Exact Mass
187.063
No. of atoms
23
No. of bonds
24
Polar Surface Area
42.23
LOGP Value
2.93 (
Computed with XLOGP3
)
2.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
OC(=O)c1ccccc1n1cccc1
InChI String
InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14)
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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