USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 138:sc= -0.101 (180deg=-0.569) USER MOD Single : A 418 GLN : amide:sc= -1.03 K(o=-1,f=-4.5!) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 425 LYS NZ :NH3+ -115:sc= -2.08 (180deg=-2.96!) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.00639 USER MOD Single : A 433 GLN : amide:sc= -0.0054 K(o=-0.0054,f=-0.67) USER MOD Single : A 437 MET CE :methyl -153:sc= -0.484 (180deg=-1.43!) USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 442 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.5!) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -1.53! C(o=-1.5!,f=-6.1!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 67:sc= 0.265 USER MOD Single : A 463 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.66) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= -0.477 K(o=-0.48,f=-1.2) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 CYS SG : rot -0:sc= 0.116 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 403 -12.589 22.683 -23.835 1.00 41.23 N ATOM 2 CA GLY A 403 -12.467 22.207 -22.464 1.00 71.42 C ATOM 3 C GLY A 403 -12.797 23.299 -21.496 1.00 41.53 C ATOM 4 O GLY A 403 -13.382 24.311 -21.895 1.00 11.23 O ATOM 0 HA2 GLY A 403 -13.135 21.360 -22.307 1.00 71.42 H new ATOM 0 HA3 GLY A 403 -11.453 21.850 -22.286 1.00 71.42 H new ATOM 10 N SER A 404 -12.440 23.096 -20.223 1.00 10.20 N ATOM 11 CA SER A 404 -12.638 24.092 -19.158 1.00 5.31 C ATOM 12 C SER A 404 -14.137 24.381 -18.899 1.00 10.43 C ATOM 13 O SER A 404 -14.497 25.406 -18.328 1.00 20.35 O ATOM 14 CB SER A 404 -11.883 25.387 -19.509 1.00 72.43 C ATOM 15 OG SER A 404 -10.502 25.111 -19.727 1.00 34.14 O ATOM 0 H SER A 404 -12.003 22.233 -19.899 1.00 10.20 H new ATOM 0 HA SER A 404 -12.234 23.679 -18.234 1.00 5.31 H new ATOM 0 HB2 SER A 404 -12.316 25.838 -20.402 1.00 72.43 H new ATOM 0 HB3 SER A 404 -11.993 26.111 -18.701 1.00 72.43 H new ATOM 0 HG SER A 404 -10.034 25.942 -19.951 1.00 34.14 H new ATOM 21 N LYS A 405 -14.985 23.442 -19.266 1.00 62.21 N ATOM 22 CA LYS A 405 -16.429 23.587 -19.127 1.00 12.43 C ATOM 23 C LYS A 405 -16.865 23.411 -17.685 1.00 70.32 C ATOM 24 O LYS A 405 -17.667 24.180 -17.172 1.00 3.32 O ATOM 25 CB LYS A 405 -17.143 22.537 -19.979 1.00 13.35 C ATOM 26 CG LYS A 405 -16.857 22.610 -21.456 1.00 22.52 C ATOM 27 CD LYS A 405 -17.357 23.900 -22.050 1.00 12.34 C ATOM 28 CE LYS A 405 -17.155 23.918 -23.542 1.00 25.31 C ATOM 29 NZ LYS A 405 -17.831 22.781 -24.216 1.00 21.45 N ATOM 0 H LYS A 405 -14.696 22.552 -19.671 1.00 62.21 H new ATOM 0 HA LYS A 405 -16.692 24.591 -19.459 1.00 12.43 H new ATOM 0 HB2 LYS A 405 -16.862 21.547 -19.619 1.00 13.35 H new ATOM 0 HB3 LYS A 405 -18.218 22.638 -19.827 1.00 13.35 H new ATOM 0 HG2 LYS A 405 -15.784 22.522 -21.625 1.00 22.52 H new ATOM 0 HG3 LYS A 405 -17.329 21.768 -21.962 1.00 22.52 H new ATOM 0 HD2 LYS A 405 -18.415 24.025 -21.821 1.00 12.34 H new ATOM 0 HD3 LYS A 405 -16.832 24.741 -21.598 1.00 12.34 H new ATOM 0 HE2 LYS A 405 -17.536 24.856 -23.947 1.00 25.31 H new ATOM 0 HE3 LYS A 405 -16.088 23.886 -23.762 1.00 25.31 H new ATOM 0 HZ1 LYS A 405 -18.289 23.117 -25.087 1.00 21.45 H new ATOM 0 HZ2 LYS A 405 -17.129 22.051 -24.453 1.00 21.45 H new ATOM 0 HZ3 LYS A 405 -18.549 22.378 -23.581 1.00 21.45 H new ATOM 43 N ILE A 406 -16.303 22.422 -17.037 1.00 31.50 N ATOM 44 CA ILE A 406 -16.726 22.032 -15.698 1.00 15.22 C ATOM 45 C ILE A 406 -16.011 22.857 -14.606 1.00 5.11 C ATOM 46 O ILE A 406 -16.414 22.854 -13.429 1.00 0.31 O ATOM 47 CB ILE A 406 -16.476 20.502 -15.488 1.00 64.45 C ATOM 48 CG1 ILE A 406 -16.948 20.026 -14.105 1.00 2.24 C ATOM 49 CG2 ILE A 406 -15.008 20.158 -15.711 1.00 52.32 C ATOM 50 CD1 ILE A 406 -16.745 18.553 -13.863 1.00 25.21 C ATOM 0 H ILE A 406 -15.540 21.860 -17.414 1.00 31.50 H new ATOM 0 HA ILE A 406 -17.793 22.238 -15.608 1.00 15.22 H new ATOM 0 HB ILE A 406 -17.071 19.971 -16.231 1.00 64.45 H new ATOM 0 HG12 ILE A 406 -16.415 20.587 -13.337 1.00 2.24 H new ATOM 0 HG13 ILE A 406 -18.007 20.260 -13.993 1.00 2.24 H new ATOM 0 HG21 ILE A 406 -14.858 19.089 -15.560 1.00 52.32 H new ATOM 0 HG22 ILE A 406 -14.723 20.424 -16.729 1.00 52.32 H new ATOM 0 HG23 ILE A 406 -14.392 20.715 -15.004 1.00 52.32 H new ATOM 0 HD11 ILE A 406 -17.103 18.295 -12.866 1.00 25.21 H new ATOM 0 HD12 ILE A 406 -17.301 17.982 -14.607 1.00 25.21 H new ATOM 0 HD13 ILE A 406 -15.684 18.314 -13.941 1.00 25.21 H new ATOM 62 N GLU A 407 -15.007 23.614 -15.009 1.00 3.21 N ATOM 63 CA GLU A 407 -14.206 24.378 -14.066 1.00 35.15 C ATOM 64 C GLU A 407 -15.086 25.416 -13.316 1.00 31.21 C ATOM 65 O GLU A 407 -15.172 25.376 -12.083 1.00 50.30 O ATOM 66 CB GLU A 407 -13.003 25.051 -14.756 1.00 11.40 C ATOM 67 CG GLU A 407 -12.109 24.108 -15.553 1.00 52.30 C ATOM 68 CD GLU A 407 -11.508 22.997 -14.734 1.00 31.10 C ATOM 69 OE1 GLU A 407 -10.638 23.272 -13.883 1.00 62.34 O ATOM 70 OE2 GLU A 407 -11.858 21.821 -14.961 1.00 14.41 O ATOM 0 H GLU A 407 -14.725 23.717 -15.984 1.00 3.21 H new ATOM 0 HA GLU A 407 -13.802 23.683 -13.330 1.00 35.15 H new ATOM 0 HB2 GLU A 407 -13.374 25.828 -15.425 1.00 11.40 H new ATOM 0 HB3 GLU A 407 -12.398 25.546 -13.997 1.00 11.40 H new ATOM 0 HG2 GLU A 407 -12.690 23.673 -16.366 1.00 52.30 H new ATOM 0 HG3 GLU A 407 -11.305 24.685 -16.010 1.00 52.30 H new ATOM 77 N PRO A 408 -15.802 26.334 -14.045 1.00 50.12 N ATOM 78 CA PRO A 408 -16.695 27.320 -13.410 1.00 54.12 C ATOM 79 C PRO A 408 -18.014 26.702 -12.907 1.00 73.24 C ATOM 80 O PRO A 408 -18.903 27.416 -12.446 1.00 75.52 O ATOM 81 CB PRO A 408 -16.992 28.289 -14.553 1.00 75.43 C ATOM 82 CG PRO A 408 -16.928 27.431 -15.765 1.00 35.42 C ATOM 83 CD PRO A 408 -15.784 26.522 -15.529 1.00 71.30 C ATOM 0 HA PRO A 408 -16.236 27.770 -12.530 1.00 54.12 H new ATOM 0 HB2 PRO A 408 -17.972 28.752 -14.441 1.00 75.43 H new ATOM 0 HB3 PRO A 408 -16.261 29.096 -14.594 1.00 75.43 H new ATOM 0 HG2 PRO A 408 -17.854 26.873 -15.903 1.00 35.42 H new ATOM 0 HG3 PRO A 408 -16.779 28.028 -16.664 1.00 35.42 H new ATOM 0 HD2 PRO A 408 -15.905 25.576 -16.057 1.00 71.30 H new ATOM 0 HD3 PRO A 408 -14.845 26.959 -15.869 1.00 71.30 H new ATOM 91 N VAL A 409 -18.136 25.384 -13.002 1.00 44.03 N ATOM 92 CA VAL A 409 -19.345 24.700 -12.560 1.00 63.13 C ATOM 93 C VAL A 409 -19.164 24.153 -11.149 1.00 33.31 C ATOM 94 O VAL A 409 -20.060 24.274 -10.304 1.00 31.24 O ATOM 95 CB VAL A 409 -19.743 23.540 -13.521 1.00 61.12 C ATOM 96 CG1 VAL A 409 -21.005 22.833 -13.038 1.00 2.22 C ATOM 97 CG2 VAL A 409 -19.945 24.062 -14.928 1.00 22.44 C ATOM 0 H VAL A 409 -17.415 24.769 -13.380 1.00 44.03 H new ATOM 0 HA VAL A 409 -20.149 25.436 -12.567 1.00 63.13 H new ATOM 0 HB VAL A 409 -18.928 22.817 -13.526 1.00 61.12 H new ATOM 0 HG11 VAL A 409 -21.258 22.028 -13.728 1.00 2.22 H new ATOM 0 HG12 VAL A 409 -20.832 22.418 -12.045 1.00 2.22 H new ATOM 0 HG13 VAL A 409 -21.828 23.547 -12.995 1.00 2.22 H new ATOM 0 HG21 VAL A 409 -20.222 23.238 -15.585 1.00 22.44 H new ATOM 0 HG22 VAL A 409 -20.738 24.809 -14.928 1.00 22.44 H new ATOM 0 HG23 VAL A 409 -19.020 24.515 -15.284 1.00 22.44 H new ATOM 107 N VAL A 410 -18.000 23.578 -10.881 1.00 41.24 N ATOM 108 CA VAL A 410 -17.733 23.002 -9.566 1.00 3.44 C ATOM 109 C VAL A 410 -17.395 24.071 -8.527 1.00 43.45 C ATOM 110 O VAL A 410 -17.559 23.854 -7.323 1.00 12.10 O ATOM 111 CB VAL A 410 -16.628 21.908 -9.595 1.00 3.24 C ATOM 112 CG1 VAL A 410 -17.067 20.730 -10.445 1.00 71.34 C ATOM 113 CG2 VAL A 410 -15.305 22.468 -10.104 1.00 41.14 C ATOM 0 H VAL A 410 -17.232 23.497 -11.547 1.00 41.24 H new ATOM 0 HA VAL A 410 -18.663 22.517 -9.269 1.00 3.44 H new ATOM 0 HB VAL A 410 -16.474 21.564 -8.572 1.00 3.24 H new ATOM 0 HG11 VAL A 410 -16.281 19.975 -10.454 1.00 71.34 H new ATOM 0 HG12 VAL A 410 -17.978 20.301 -10.029 1.00 71.34 H new ATOM 0 HG13 VAL A 410 -17.257 21.067 -11.464 1.00 71.34 H new ATOM 0 HG21 VAL A 410 -14.554 21.678 -10.112 1.00 41.14 H new ATOM 0 HG22 VAL A 410 -15.438 22.852 -11.115 1.00 41.14 H new ATOM 0 HG23 VAL A 410 -14.976 23.275 -9.449 1.00 41.14 H new ATOM 123 N LEU A 411 -16.943 25.220 -8.995 1.00 5.41 N ATOM 124 CA LEU A 411 -16.582 26.322 -8.110 1.00 3.13 C ATOM 125 C LEU A 411 -17.755 26.859 -7.283 1.00 31.41 C ATOM 126 O LEU A 411 -17.662 26.899 -6.054 1.00 12.41 O ATOM 127 CB LEU A 411 -15.888 27.445 -8.856 1.00 32.03 C ATOM 128 CG LEU A 411 -14.534 27.102 -9.477 1.00 62.22 C ATOM 129 CD1 LEU A 411 -13.935 28.315 -10.128 1.00 34.33 C ATOM 130 CD2 LEU A 411 -13.577 26.514 -8.445 1.00 30.00 C ATOM 0 H LEU A 411 -16.815 25.419 -9.987 1.00 5.41 H new ATOM 0 HA LEU A 411 -15.875 25.895 -7.399 1.00 3.13 H new ATOM 0 HB2 LEU A 411 -16.551 27.792 -9.648 1.00 32.03 H new ATOM 0 HB3 LEU A 411 -15.749 28.279 -8.169 1.00 32.03 H new ATOM 0 HG LEU A 411 -14.699 26.342 -10.240 1.00 62.22 H new ATOM 0 HD11 LEU A 411 -12.971 28.055 -10.566 1.00 34.33 H new ATOM 0 HD12 LEU A 411 -14.603 28.675 -10.910 1.00 34.33 H new ATOM 0 HD13 LEU A 411 -13.795 29.097 -9.382 1.00 34.33 H new ATOM 0 HD21 LEU A 411 -12.625 26.282 -8.922 1.00 30.00 H new ATOM 0 HD22 LEU A 411 -13.416 27.237 -7.645 1.00 30.00 H new ATOM 0 HD23 LEU A 411 -14.006 25.602 -8.029 1.00 30.00 H new ATOM 142 N PRO A 412 -18.896 27.275 -7.917 1.00 42.41 N ATOM 143 CA PRO A 412 -20.032 27.800 -7.172 1.00 1.44 C ATOM 144 C PRO A 412 -20.645 26.751 -6.238 1.00 64.05 C ATOM 145 O PRO A 412 -21.328 27.087 -5.288 1.00 72.35 O ATOM 146 CB PRO A 412 -21.041 28.211 -8.246 1.00 3.43 C ATOM 147 CG PRO A 412 -20.638 27.459 -9.454 1.00 63.34 C ATOM 148 CD PRO A 412 -19.154 27.310 -9.368 1.00 30.13 C ATOM 0 HA PRO A 412 -19.734 28.627 -6.528 1.00 1.44 H new ATOM 0 HB2 PRO A 412 -22.059 27.962 -7.947 1.00 3.43 H new ATOM 0 HB3 PRO A 412 -21.014 29.286 -8.423 1.00 3.43 H new ATOM 0 HG2 PRO A 412 -21.127 26.485 -9.489 1.00 63.34 H new ATOM 0 HG3 PRO A 412 -20.925 27.993 -10.360 1.00 63.34 H new ATOM 0 HD2 PRO A 412 -18.813 26.398 -9.859 1.00 30.13 H new ATOM 0 HD3 PRO A 412 -18.638 28.142 -9.848 1.00 30.13 H new ATOM 156 N LEU A 413 -20.379 25.477 -6.519 1.00 15.12 N ATOM 157 CA LEU A 413 -20.859 24.403 -5.680 1.00 71.31 C ATOM 158 C LEU A 413 -20.167 24.439 -4.336 1.00 2.14 C ATOM 159 O LEU A 413 -20.761 24.114 -3.317 1.00 12.13 O ATOM 160 CB LEU A 413 -20.650 23.055 -6.335 1.00 21.54 C ATOM 161 CG LEU A 413 -21.387 22.834 -7.653 1.00 11.33 C ATOM 162 CD1 LEU A 413 -21.146 21.436 -8.142 1.00 45.44 C ATOM 163 CD2 LEU A 413 -22.884 23.088 -7.494 1.00 1.15 C ATOM 0 H LEU A 413 -19.832 25.172 -7.324 1.00 15.12 H new ATOM 0 HA LEU A 413 -21.930 24.546 -5.536 1.00 71.31 H new ATOM 0 HB2 LEU A 413 -19.583 22.919 -6.510 1.00 21.54 H new ATOM 0 HB3 LEU A 413 -20.959 22.280 -5.634 1.00 21.54 H new ATOM 0 HG LEU A 413 -21.002 23.543 -8.386 1.00 11.33 H new ATOM 0 HD11 LEU A 413 -21.674 21.284 -9.083 1.00 45.44 H new ATOM 0 HD12 LEU A 413 -20.078 21.284 -8.297 1.00 45.44 H new ATOM 0 HD13 LEU A 413 -21.510 20.724 -7.402 1.00 45.44 H new ATOM 0 HD21 LEU A 413 -23.384 22.923 -8.448 1.00 1.15 H new ATOM 0 HD22 LEU A 413 -23.292 22.406 -6.748 1.00 1.15 H new ATOM 0 HD23 LEU A 413 -23.046 24.117 -7.172 1.00 1.15 H new ATOM 175 N LEU A 414 -18.912 24.865 -4.349 1.00 72.20 N ATOM 176 CA LEU A 414 -18.127 25.026 -3.140 1.00 1.42 C ATOM 177 C LEU A 414 -18.678 26.200 -2.354 1.00 62.43 C ATOM 178 O LEU A 414 -18.948 26.102 -1.163 1.00 52.13 O ATOM 179 CB LEU A 414 -16.629 25.213 -3.523 1.00 4.24 C ATOM 180 CG LEU A 414 -15.624 25.492 -2.394 1.00 11.13 C ATOM 181 CD1 LEU A 414 -14.219 25.145 -2.861 1.00 71.04 C ATOM 182 CD2 LEU A 414 -15.634 26.967 -1.978 1.00 71.54 C ATOM 0 H LEU A 414 -18.410 25.109 -5.203 1.00 72.20 H new ATOM 0 HA LEU A 414 -18.192 24.141 -2.506 1.00 1.42 H new ATOM 0 HB2 LEU A 414 -16.303 24.313 -4.045 1.00 4.24 H new ATOM 0 HB3 LEU A 414 -16.567 26.035 -4.236 1.00 4.24 H new ATOM 0 HG LEU A 414 -15.916 24.880 -1.541 1.00 11.13 H new ATOM 0 HD11 LEU A 414 -13.509 25.344 -2.058 1.00 71.04 H new ATOM 0 HD12 LEU A 414 -14.175 24.090 -3.131 1.00 71.04 H new ATOM 0 HD13 LEU A 414 -13.964 25.752 -3.730 1.00 71.04 H new ATOM 0 HD21 LEU A 414 -14.911 27.124 -1.178 1.00 71.54 H new ATOM 0 HD22 LEU A 414 -15.369 27.588 -2.834 1.00 71.54 H new ATOM 0 HD23 LEU A 414 -16.629 27.239 -1.626 1.00 71.54 H new ATOM 194 N TRP A 415 -18.856 27.282 -3.055 1.00 53.43 N ATOM 195 CA TRP A 415 -19.442 28.513 -2.524 1.00 4.44 C ATOM 196 C TRP A 415 -20.828 28.237 -1.899 1.00 40.32 C ATOM 197 O TRP A 415 -21.148 28.728 -0.814 1.00 13.22 O ATOM 198 CB TRP A 415 -19.555 29.536 -3.673 1.00 33.20 C ATOM 199 CG TRP A 415 -20.213 30.836 -3.316 1.00 3.32 C ATOM 200 CD1 TRP A 415 -19.632 31.914 -2.723 1.00 4.05 C ATOM 201 CD2 TRP A 415 -21.581 31.198 -3.556 1.00 43.33 C ATOM 202 NE1 TRP A 415 -20.554 32.921 -2.569 1.00 23.40 N ATOM 203 CE2 TRP A 415 -21.757 32.505 -3.075 1.00 44.15 C ATOM 204 CE3 TRP A 415 -22.672 30.536 -4.129 1.00 21.34 C ATOM 205 CZ2 TRP A 415 -22.978 33.168 -3.149 1.00 42.05 C ATOM 206 CZ3 TRP A 415 -23.882 31.195 -4.203 1.00 34.34 C ATOM 207 CH2 TRP A 415 -24.027 32.499 -3.715 1.00 54.35 C ATOM 0 H TRP A 415 -18.596 27.351 -4.039 1.00 53.43 H new ATOM 0 HA TRP A 415 -18.804 28.913 -1.736 1.00 4.44 H new ATOM 0 HB2 TRP A 415 -18.554 29.746 -4.049 1.00 33.20 H new ATOM 0 HB3 TRP A 415 -20.113 29.079 -4.490 1.00 33.20 H new ATOM 0 HD1 TRP A 415 -18.597 31.970 -2.418 1.00 4.05 H new ATOM 0 HE1 TRP A 415 -20.372 33.831 -2.146 1.00 23.40 H new ATOM 0 HE3 TRP A 415 -22.569 29.529 -4.506 1.00 21.34 H new ATOM 0 HZ2 TRP A 415 -23.093 34.174 -2.773 1.00 42.05 H new ATOM 0 HZ3 TRP A 415 -24.732 30.696 -4.645 1.00 34.34 H new ATOM 0 HH2 TRP A 415 -24.988 32.987 -3.787 1.00 54.35 H new ATOM 218 N PHE A 416 -21.629 27.443 -2.576 1.00 71.12 N ATOM 219 CA PHE A 416 -22.958 27.090 -2.092 1.00 52.10 C ATOM 220 C PHE A 416 -22.878 26.102 -0.929 1.00 72.23 C ATOM 221 O PHE A 416 -23.771 26.042 -0.066 1.00 23.04 O ATOM 222 CB PHE A 416 -23.836 26.550 -3.242 1.00 24.41 C ATOM 223 CG PHE A 416 -25.231 26.133 -2.839 1.00 64.31 C ATOM 224 CD1 PHE A 416 -25.537 24.793 -2.624 1.00 64.31 C ATOM 225 CD2 PHE A 416 -26.229 27.075 -2.670 1.00 50.50 C ATOM 226 CE1 PHE A 416 -26.811 24.411 -2.253 1.00 31.25 C ATOM 227 CE2 PHE A 416 -27.506 26.697 -2.301 1.00 30.41 C ATOM 228 CZ PHE A 416 -27.795 25.363 -2.090 1.00 5.24 C ATOM 0 H PHE A 416 -21.385 27.023 -3.473 1.00 71.12 H new ATOM 0 HA PHE A 416 -23.433 27.995 -1.713 1.00 52.10 H new ATOM 0 HB2 PHE A 416 -23.911 27.317 -4.013 1.00 24.41 H new ATOM 0 HB3 PHE A 416 -23.333 25.694 -3.692 1.00 24.41 H new ATOM 0 HD1 PHE A 416 -24.770 24.043 -2.749 1.00 64.31 H new ATOM 0 HD2 PHE A 416 -26.008 28.120 -2.828 1.00 50.50 H new ATOM 0 HE1 PHE A 416 -27.037 23.367 -2.091 1.00 31.25 H new ATOM 0 HE2 PHE A 416 -28.277 27.443 -2.178 1.00 30.41 H new ATOM 0 HZ PHE A 416 -28.791 25.066 -1.797 1.00 5.24 H new ATOM 238 N GLU A 417 -21.815 25.337 -0.898 1.00 30.13 N ATOM 239 CA GLU A 417 -21.635 24.328 0.110 1.00 33.21 C ATOM 240 C GLU A 417 -21.411 25.008 1.458 1.00 31.35 C ATOM 241 O GLU A 417 -21.799 24.492 2.508 1.00 60.21 O ATOM 242 CB GLU A 417 -20.439 23.447 -0.240 1.00 65.54 C ATOM 243 CG GLU A 417 -20.501 22.089 0.393 1.00 21.04 C ATOM 244 CD GLU A 417 -21.697 21.331 -0.126 1.00 64.24 C ATOM 245 OE1 GLU A 417 -21.571 20.614 -1.140 1.00 51.22 O ATOM 246 OE2 GLU A 417 -22.802 21.466 0.441 1.00 12.23 O ATOM 0 H GLU A 417 -21.052 25.398 -1.572 1.00 30.13 H new ATOM 0 HA GLU A 417 -22.524 23.699 0.162 1.00 33.21 H new ATOM 0 HB2 GLU A 417 -20.384 23.334 -1.323 1.00 65.54 H new ATOM 0 HB3 GLU A 417 -19.523 23.947 0.076 1.00 65.54 H new ATOM 0 HG2 GLU A 417 -19.587 21.536 0.176 1.00 21.04 H new ATOM 0 HG3 GLU A 417 -20.564 22.187 1.477 1.00 21.04 H new ATOM 253 N GLN A 418 -20.828 26.205 1.394 1.00 65.51 N ATOM 254 CA GLN A 418 -20.518 27.007 2.571 1.00 43.13 C ATOM 255 C GLN A 418 -21.787 27.422 3.305 1.00 72.53 C ATOM 256 O GLN A 418 -21.768 27.653 4.511 1.00 50.33 O ATOM 257 CB GLN A 418 -19.761 28.265 2.169 1.00 33.13 C ATOM 258 CG GLN A 418 -18.527 28.013 1.343 1.00 21.14 C ATOM 259 CD GLN A 418 -17.762 29.285 1.056 1.00 12.43 C ATOM 260 OE1 GLN A 418 -18.001 29.957 0.055 1.00 53.42 O ATOM 261 NE2 GLN A 418 -16.852 29.631 1.934 1.00 40.45 N ATOM 0 H GLN A 418 -20.557 26.646 0.515 1.00 65.51 H new ATOM 0 HA GLN A 418 -19.905 26.393 3.231 1.00 43.13 H new ATOM 0 HB2 GLN A 418 -20.433 28.914 1.607 1.00 33.13 H new ATOM 0 HB3 GLN A 418 -19.475 28.806 3.071 1.00 33.13 H new ATOM 0 HG2 GLN A 418 -17.878 27.311 1.867 1.00 21.14 H new ATOM 0 HG3 GLN A 418 -18.812 27.542 0.402 1.00 21.14 H new ATOM 0 HE21 GLN A 418 -16.684 29.045 2.752 1.00 40.45 H new ATOM 0 HE22 GLN A 418 -16.312 30.486 1.799 1.00 40.45 H new ATOM 270 N SER A 419 -22.876 27.508 2.574 1.00 45.42 N ATOM 271 CA SER A 419 -24.142 27.931 3.124 1.00 10.33 C ATOM 272 C SER A 419 -24.719 26.874 4.069 1.00 65.15 C ATOM 273 O SER A 419 -25.365 27.209 5.068 1.00 61.34 O ATOM 274 CB SER A 419 -25.119 28.189 1.981 1.00 34.42 C ATOM 275 OG SER A 419 -24.567 29.100 1.044 1.00 60.12 O ATOM 0 H SER A 419 -22.907 27.286 1.579 1.00 45.42 H new ATOM 0 HA SER A 419 -23.985 28.844 3.699 1.00 10.33 H new ATOM 0 HB2 SER A 419 -25.360 27.250 1.483 1.00 34.42 H new ATOM 0 HB3 SER A 419 -26.052 28.589 2.377 1.00 34.42 H new ATOM 0 HG SER A 419 -25.208 29.251 0.318 1.00 60.12 H new ATOM 281 N GLY A 420 -24.459 25.597 3.763 1.00 14.24 N ATOM 282 CA GLY A 420 -25.056 24.516 4.529 1.00 70.14 C ATOM 283 C GLY A 420 -26.570 24.544 4.390 1.00 2.44 C ATOM 284 O GLY A 420 -27.307 24.166 5.302 1.00 73.31 O ATOM 0 H GLY A 420 -23.849 25.298 3.002 1.00 14.24 H new ATOM 0 HA2 GLY A 420 -24.670 23.558 4.181 1.00 70.14 H new ATOM 0 HA3 GLY A 420 -24.779 24.609 5.579 1.00 70.14 H new ATOM 288 N ALA A 421 -27.020 24.984 3.221 1.00 25.23 N ATOM 289 CA ALA A 421 -28.437 25.194 2.933 1.00 3.51 C ATOM 290 C ALA A 421 -29.237 23.897 2.936 1.00 65.35 C ATOM 291 O ALA A 421 -30.442 23.900 3.177 1.00 12.22 O ATOM 292 CB ALA A 421 -28.599 25.922 1.609 1.00 13.23 C ATOM 0 H ALA A 421 -26.407 25.208 2.437 1.00 25.23 H new ATOM 0 HA ALA A 421 -28.841 25.810 3.736 1.00 3.51 H new ATOM 0 HB1 ALA A 421 -29.659 26.073 1.404 1.00 13.23 H new ATOM 0 HB2 ALA A 421 -28.098 26.889 1.662 1.00 13.23 H new ATOM 0 HB3 ALA A 421 -28.156 25.327 0.810 1.00 13.23 H new ATOM 298 N MET A 422 -28.580 22.801 2.683 1.00 14.22 N ATOM 299 CA MET A 422 -29.258 21.525 2.630 1.00 25.44 C ATOM 300 C MET A 422 -29.046 20.742 3.920 1.00 12.35 C ATOM 301 O MET A 422 -29.406 19.563 4.016 1.00 23.25 O ATOM 302 CB MET A 422 -28.813 20.721 1.408 1.00 51.53 C ATOM 303 CG MET A 422 -29.126 21.394 0.076 1.00 10.32 C ATOM 304 SD MET A 422 -30.894 21.680 -0.161 1.00 11.31 S ATOM 305 CE MET A 422 -30.897 22.471 -1.769 1.00 2.41 C ATOM 0 H MET A 422 -27.576 22.759 2.509 1.00 14.22 H new ATOM 0 HA MET A 422 -30.327 21.712 2.530 1.00 25.44 H new ATOM 0 HB2 MET A 422 -27.739 20.547 1.472 1.00 51.53 H new ATOM 0 HB3 MET A 422 -29.296 19.744 1.433 1.00 51.53 H new ATOM 0 HG2 MET A 422 -28.597 22.346 0.021 1.00 10.32 H new ATOM 0 HG3 MET A 422 -28.750 20.773 -0.737 1.00 10.32 H new ATOM 0 HE1 MET A 422 -31.921 22.710 -2.055 1.00 2.41 H new ATOM 0 HE2 MET A 422 -30.309 23.388 -1.724 1.00 2.41 H new ATOM 0 HE3 MET A 422 -30.462 21.797 -2.507 1.00 2.41 H new ATOM 315 N GLY A 423 -28.468 21.405 4.911 1.00 11.52 N ATOM 316 CA GLY A 423 -28.276 20.796 6.212 1.00 2.32 C ATOM 317 C GLY A 423 -27.023 19.956 6.304 1.00 62.31 C ATOM 318 O GLY A 423 -26.906 19.102 7.192 1.00 3.22 O ATOM 0 H GLY A 423 -28.126 22.363 4.836 1.00 11.52 H new ATOM 0 HA2 GLY A 423 -28.235 21.579 6.969 1.00 2.32 H new ATOM 0 HA3 GLY A 423 -29.140 20.173 6.444 1.00 2.32 H new ATOM 322 N GLY A 424 -26.094 20.177 5.399 1.00 42.41 N ATOM 323 CA GLY A 424 -24.858 19.426 5.421 1.00 20.43 C ATOM 324 C GLY A 424 -24.962 18.173 4.603 1.00 71.14 C ATOM 325 O GLY A 424 -25.493 17.155 5.061 1.00 11.21 O ATOM 0 H GLY A 424 -26.169 20.862 4.647 1.00 42.41 H new ATOM 0 HA2 GLY A 424 -24.047 20.046 5.038 1.00 20.43 H new ATOM 0 HA3 GLY A 424 -24.605 19.170 6.450 1.00 20.43 H new ATOM 329 N LYS A 425 -24.473 18.227 3.411 1.00 3.23 N ATOM 330 CA LYS A 425 -24.563 17.111 2.522 1.00 23.24 C ATOM 331 C LYS A 425 -23.407 16.139 2.695 1.00 33.22 C ATOM 332 O LYS A 425 -22.255 16.555 2.877 1.00 14.10 O ATOM 333 CB LYS A 425 -24.703 17.579 1.099 1.00 24.51 C ATOM 334 CG LYS A 425 -26.052 18.226 0.836 1.00 44.24 C ATOM 335 CD LYS A 425 -26.227 18.758 -0.590 1.00 21.34 C ATOM 336 CE LYS A 425 -25.232 19.854 -0.925 1.00 54.11 C ATOM 337 NZ LYS A 425 -23.887 19.338 -1.259 1.00 10.34 N ATOM 0 H LYS A 425 -24.000 19.043 3.022 1.00 3.23 H new ATOM 0 HA LYS A 425 -25.463 16.554 2.781 1.00 23.24 H new ATOM 0 HB2 LYS A 425 -23.910 18.292 0.874 1.00 24.51 H new ATOM 0 HB3 LYS A 425 -24.571 16.732 0.426 1.00 24.51 H new ATOM 0 HG2 LYS A 425 -26.837 17.498 1.039 1.00 44.24 H new ATOM 0 HG3 LYS A 425 -26.191 19.048 1.538 1.00 44.24 H new ATOM 0 HD2 LYS A 425 -26.111 17.937 -1.298 1.00 21.34 H new ATOM 0 HD3 LYS A 425 -27.240 19.142 -0.710 1.00 21.34 H new ATOM 0 HE2 LYS A 425 -25.610 20.435 -1.766 1.00 54.11 H new ATOM 0 HE3 LYS A 425 -25.153 20.535 -0.078 1.00 54.11 H new ATOM 0 HZ1 LYS A 425 -23.205 19.655 -0.541 1.00 10.34 H new ATOM 0 HZ2 LYS A 425 -23.909 18.298 -1.280 1.00 10.34 H new ATOM 0 HZ3 LYS A 425 -23.599 19.697 -2.192 1.00 10.34 H new ATOM 351 N PRO A 426 -23.698 14.824 2.659 1.00 24.53 N ATOM 352 CA PRO A 426 -22.694 13.784 2.853 1.00 25.20 C ATOM 353 C PRO A 426 -21.687 13.710 1.705 1.00 53.02 C ATOM 354 O PRO A 426 -21.946 14.196 0.588 1.00 44.52 O ATOM 355 CB PRO A 426 -23.515 12.480 2.928 1.00 55.50 C ATOM 356 CG PRO A 426 -24.930 12.908 3.089 1.00 13.44 C ATOM 357 CD PRO A 426 -25.031 14.239 2.421 1.00 53.04 C ATOM 0 HA PRO A 426 -22.095 13.976 3.743 1.00 25.20 H new ATOM 0 HB2 PRO A 426 -23.386 11.883 2.025 1.00 55.50 H new ATOM 0 HB3 PRO A 426 -23.194 11.862 3.767 1.00 55.50 H new ATOM 0 HG2 PRO A 426 -25.610 12.189 2.633 1.00 13.44 H new ATOM 0 HG3 PRO A 426 -25.200 12.978 4.143 1.00 13.44 H new ATOM 0 HD2 PRO A 426 -25.247 14.143 1.357 1.00 53.04 H new ATOM 0 HD3 PRO A 426 -25.824 14.850 2.853 1.00 53.04 H new ATOM 365 N LEU A 427 -20.561 13.061 1.974 1.00 20.03 N ATOM 366 CA LEU A 427 -19.465 12.909 1.013 1.00 43.32 C ATOM 367 C LEU A 427 -19.901 12.167 -0.222 1.00 43.51 C ATOM 368 O LEU A 427 -19.316 12.335 -1.294 1.00 74.20 O ATOM 369 CB LEU A 427 -18.225 12.239 1.624 1.00 61.10 C ATOM 370 CG LEU A 427 -17.445 13.034 2.687 1.00 73.04 C ATOM 371 CD1 LEU A 427 -18.248 13.245 3.951 1.00 11.34 C ATOM 372 CD2 LEU A 427 -16.144 12.352 2.998 1.00 33.14 C ATOM 0 H LEU A 427 -20.377 12.619 2.875 1.00 20.03 H new ATOM 0 HA LEU A 427 -19.182 13.922 0.727 1.00 43.32 H new ATOM 0 HB2 LEU A 427 -18.537 11.295 2.070 1.00 61.10 H new ATOM 0 HB3 LEU A 427 -17.538 11.996 0.813 1.00 61.10 H new ATOM 0 HG LEU A 427 -17.242 14.020 2.269 1.00 73.04 H new ATOM 0 HD11 LEU A 427 -17.654 13.810 4.669 1.00 11.34 H new ATOM 0 HD12 LEU A 427 -19.157 13.798 3.716 1.00 11.34 H new ATOM 0 HD13 LEU A 427 -18.512 12.278 4.380 1.00 11.34 H new ATOM 0 HD21 LEU A 427 -15.603 12.925 3.751 1.00 33.14 H new ATOM 0 HD22 LEU A 427 -16.340 11.349 3.377 1.00 33.14 H new ATOM 0 HD23 LEU A 427 -15.542 12.286 2.092 1.00 33.14 H new ATOM 384 N SER A 428 -20.917 11.351 -0.072 1.00 22.11 N ATOM 385 CA SER A 428 -21.488 10.595 -1.159 1.00 5.02 C ATOM 386 C SER A 428 -21.936 11.527 -2.317 1.00 23.34 C ATOM 387 O SER A 428 -21.965 11.116 -3.462 1.00 25.12 O ATOM 388 CB SER A 428 -22.652 9.720 -0.651 1.00 72.40 C ATOM 389 OG SER A 428 -23.176 8.890 -1.681 1.00 52.15 O ATOM 0 H SER A 428 -21.377 11.192 0.824 1.00 22.11 H new ATOM 0 HA SER A 428 -20.720 9.934 -1.559 1.00 5.02 H new ATOM 0 HB2 SER A 428 -22.307 9.099 0.176 1.00 72.40 H new ATOM 0 HB3 SER A 428 -23.444 10.359 -0.261 1.00 72.40 H new ATOM 0 HG SER A 428 -23.910 8.349 -1.323 1.00 52.15 H new ATOM 395 N THR A 429 -22.291 12.768 -2.007 1.00 73.11 N ATOM 396 CA THR A 429 -22.671 13.738 -3.027 1.00 32.41 C ATOM 397 C THR A 429 -21.412 14.260 -3.775 1.00 54.14 C ATOM 398 O THR A 429 -21.421 14.474 -4.993 1.00 53.24 O ATOM 399 CB THR A 429 -23.400 14.925 -2.368 1.00 34.51 C ATOM 400 OG1 THR A 429 -24.519 14.429 -1.609 1.00 44.25 O ATOM 401 CG2 THR A 429 -23.893 15.913 -3.409 1.00 12.04 C ATOM 0 H THR A 429 -22.324 13.128 -1.053 1.00 73.11 H new ATOM 0 HA THR A 429 -23.333 13.250 -3.743 1.00 32.41 H new ATOM 0 HB THR A 429 -22.698 15.442 -1.713 1.00 34.51 H new ATOM 0 HG1 THR A 429 -24.986 15.180 -1.186 1.00 44.25 H new ATOM 0 HG21 THR A 429 -24.403 16.739 -2.914 1.00 12.04 H new ATOM 0 HG22 THR A 429 -23.045 16.298 -3.976 1.00 12.04 H new ATOM 0 HG23 THR A 429 -24.585 15.413 -4.086 1.00 12.04 H new ATOM 409 N PHE A 430 -20.342 14.412 -3.021 1.00 34.33 N ATOM 410 CA PHE A 430 -19.068 14.968 -3.479 1.00 65.13 C ATOM 411 C PHE A 430 -18.350 14.140 -4.544 1.00 74.43 C ATOM 412 O PHE A 430 -17.552 14.687 -5.304 1.00 43.10 O ATOM 413 CB PHE A 430 -18.132 15.230 -2.302 1.00 35.33 C ATOM 414 CG PHE A 430 -18.586 16.345 -1.415 1.00 11.02 C ATOM 415 CD1 PHE A 430 -19.598 16.156 -0.495 1.00 22.43 C ATOM 416 CD2 PHE A 430 -17.996 17.586 -1.505 1.00 10.21 C ATOM 417 CE1 PHE A 430 -20.013 17.179 0.316 1.00 42.52 C ATOM 418 CE2 PHE A 430 -18.404 18.618 -0.698 1.00 54.32 C ATOM 419 CZ PHE A 430 -19.416 18.418 0.219 1.00 53.43 C ATOM 0 H PHE A 430 -20.327 14.145 -2.037 1.00 34.33 H new ATOM 0 HA PHE A 430 -19.334 15.907 -3.964 1.00 65.13 H new ATOM 0 HB2 PHE A 430 -18.042 14.319 -1.710 1.00 35.33 H new ATOM 0 HB3 PHE A 430 -17.138 15.462 -2.684 1.00 35.33 H new ATOM 0 HD1 PHE A 430 -20.069 15.188 -0.414 1.00 22.43 H new ATOM 0 HD2 PHE A 430 -17.203 17.749 -2.219 1.00 10.21 H new ATOM 0 HE1 PHE A 430 -20.806 17.015 1.030 1.00 42.52 H new ATOM 0 HE2 PHE A 430 -17.933 19.587 -0.780 1.00 54.32 H new ATOM 0 HZ PHE A 430 -19.738 19.228 0.857 1.00 53.43 H new ATOM 429 N TYR A 431 -18.620 12.827 -4.588 1.00 3.01 N ATOM 430 CA TYR A 431 -17.863 11.897 -5.457 1.00 22.10 C ATOM 431 C TYR A 431 -17.786 12.374 -6.921 1.00 11.12 C ATOM 432 O TYR A 431 -16.800 12.143 -7.581 1.00 24.31 O ATOM 433 CB TYR A 431 -18.402 10.444 -5.387 1.00 61.42 C ATOM 434 CG TYR A 431 -19.631 10.134 -6.236 1.00 71.52 C ATOM 435 CD1 TYR A 431 -19.568 9.167 -7.232 1.00 23.25 C ATOM 436 CD2 TYR A 431 -20.827 10.798 -6.056 1.00 52.43 C ATOM 437 CE1 TYR A 431 -20.665 8.874 -8.010 1.00 14.42 C ATOM 438 CE2 TYR A 431 -21.928 10.511 -6.830 1.00 22.42 C ATOM 439 CZ TYR A 431 -21.843 9.549 -7.803 1.00 64.34 C ATOM 440 OH TYR A 431 -22.948 9.261 -8.580 1.00 4.53 O ATOM 0 H TYR A 431 -19.353 12.381 -4.036 1.00 3.01 H new ATOM 0 HA TYR A 431 -16.848 11.896 -5.058 1.00 22.10 H new ATOM 0 HB2 TYR A 431 -17.601 9.768 -5.686 1.00 61.42 H new ATOM 0 HB3 TYR A 431 -18.639 10.217 -4.347 1.00 61.42 H new ATOM 0 HD1 TYR A 431 -18.642 8.636 -7.398 1.00 23.25 H new ATOM 0 HD2 TYR A 431 -20.901 11.558 -5.292 1.00 52.43 H new ATOM 0 HE1 TYR A 431 -20.600 8.118 -8.778 1.00 14.42 H new ATOM 0 HE2 TYR A 431 -22.855 11.041 -6.672 1.00 22.42 H new ATOM 0 HH TYR A 431 -23.699 9.827 -8.303 1.00 4.53 H new ATOM 450 N THR A 432 -18.826 13.052 -7.399 1.00 15.14 N ATOM 451 CA THR A 432 -18.874 13.548 -8.768 1.00 35.23 C ATOM 452 C THR A 432 -17.655 14.462 -9.079 1.00 54.21 C ATOM 453 O THR A 432 -16.983 14.300 -10.105 1.00 20.41 O ATOM 454 CB THR A 432 -20.176 14.333 -8.977 1.00 62.43 C ATOM 455 OG1 THR A 432 -21.271 13.522 -8.518 1.00 22.33 O ATOM 456 CG2 THR A 432 -20.384 14.667 -10.451 1.00 44.02 C ATOM 0 H THR A 432 -19.656 13.272 -6.849 1.00 15.14 H new ATOM 0 HA THR A 432 -18.839 12.695 -9.446 1.00 35.23 H new ATOM 0 HB THR A 432 -20.122 15.268 -8.419 1.00 62.43 H new ATOM 0 HG1 THR A 432 -22.113 14.008 -8.642 1.00 22.33 H new ATOM 0 HG21 THR A 432 -21.314 15.223 -10.570 1.00 44.02 H new ATOM 0 HG22 THR A 432 -19.551 15.272 -10.808 1.00 44.02 H new ATOM 0 HG23 THR A 432 -20.436 13.744 -11.029 1.00 44.02 H new ATOM 464 N GLN A 433 -17.393 15.426 -8.206 1.00 44.34 N ATOM 465 CA GLN A 433 -16.233 16.292 -8.352 1.00 53.44 C ATOM 466 C GLN A 433 -14.936 15.549 -7.991 1.00 71.51 C ATOM 467 O GLN A 433 -13.874 15.868 -8.476 1.00 52.33 O ATOM 468 CB GLN A 433 -16.377 17.623 -7.586 1.00 72.44 C ATOM 469 CG GLN A 433 -16.482 17.495 -6.085 1.00 50.33 C ATOM 470 CD GLN A 433 -16.668 18.836 -5.390 1.00 63.22 C ATOM 471 OE1 GLN A 433 -17.248 19.769 -5.948 1.00 72.32 O ATOM 472 NE2 GLN A 433 -16.167 18.950 -4.187 1.00 60.43 N ATOM 0 H GLN A 433 -17.969 15.627 -7.389 1.00 44.34 H new ATOM 0 HA GLN A 433 -16.173 16.565 -9.406 1.00 53.44 H new ATOM 0 HB2 GLN A 433 -15.519 18.253 -7.821 1.00 72.44 H new ATOM 0 HB3 GLN A 433 -17.263 18.140 -7.953 1.00 72.44 H new ATOM 0 HG2 GLN A 433 -17.321 16.844 -5.838 1.00 50.33 H new ATOM 0 HG3 GLN A 433 -15.582 17.014 -5.702 1.00 50.33 H new ATOM 0 HE21 GLN A 433 -15.693 18.157 -3.755 1.00 60.43 H new ATOM 0 HE22 GLN A 433 -16.250 19.832 -3.681 1.00 60.43 H new ATOM 481 N LEU A 434 -15.047 14.577 -7.110 1.00 74.23 N ATOM 482 CA LEU A 434 -13.889 13.810 -6.669 1.00 64.03 C ATOM 483 C LEU A 434 -13.354 12.879 -7.783 1.00 1.32 C ATOM 484 O LEU A 434 -12.151 12.755 -7.962 1.00 75.34 O ATOM 485 CB LEU A 434 -14.241 12.995 -5.423 1.00 51.55 C ATOM 486 CG LEU A 434 -13.109 12.176 -4.803 1.00 62.14 C ATOM 487 CD1 LEU A 434 -11.983 13.077 -4.303 1.00 51.23 C ATOM 488 CD2 LEU A 434 -13.634 11.293 -3.685 1.00 11.01 C ATOM 0 H LEU A 434 -15.928 14.295 -6.681 1.00 74.23 H new ATOM 0 HA LEU A 434 -13.097 14.519 -6.426 1.00 64.03 H new ATOM 0 HB2 LEU A 434 -14.623 13.678 -4.665 1.00 51.55 H new ATOM 0 HB3 LEU A 434 -15.054 12.315 -5.678 1.00 51.55 H new ATOM 0 HG LEU A 434 -12.697 11.533 -5.581 1.00 62.14 H new ATOM 0 HD11 LEU A 434 -11.193 12.465 -3.868 1.00 51.23 H new ATOM 0 HD12 LEU A 434 -11.579 13.651 -5.137 1.00 51.23 H new ATOM 0 HD13 LEU A 434 -12.372 13.759 -3.547 1.00 51.23 H new ATOM 0 HD21 LEU A 434 -12.812 10.719 -3.258 1.00 11.01 H new ATOM 0 HD22 LEU A 434 -14.083 11.915 -2.911 1.00 11.01 H new ATOM 0 HD23 LEU A 434 -14.385 10.610 -4.083 1.00 11.01 H new ATOM 500 N VAL A 435 -14.259 12.252 -8.537 1.00 73.52 N ATOM 501 CA VAL A 435 -13.884 11.288 -9.597 1.00 24.14 C ATOM 502 C VAL A 435 -13.047 11.903 -10.724 1.00 54.40 C ATOM 503 O VAL A 435 -12.342 11.188 -11.435 1.00 53.35 O ATOM 504 CB VAL A 435 -15.085 10.490 -10.187 1.00 12.15 C ATOM 505 CG1 VAL A 435 -15.766 9.650 -9.117 1.00 24.40 C ATOM 506 CG2 VAL A 435 -16.086 11.400 -10.877 1.00 61.41 C ATOM 0 H VAL A 435 -15.265 12.390 -8.439 1.00 73.52 H new ATOM 0 HA VAL A 435 -13.252 10.574 -9.070 1.00 24.14 H new ATOM 0 HB VAL A 435 -14.681 9.817 -10.943 1.00 12.15 H new ATOM 0 HG11 VAL A 435 -16.600 9.105 -9.559 1.00 24.40 H new ATOM 0 HG12 VAL A 435 -15.050 8.942 -8.700 1.00 24.40 H new ATOM 0 HG13 VAL A 435 -16.137 10.301 -8.325 1.00 24.40 H new ATOM 0 HG21 VAL A 435 -16.907 10.803 -11.274 1.00 61.41 H new ATOM 0 HG22 VAL A 435 -16.476 12.122 -10.160 1.00 61.41 H new ATOM 0 HG23 VAL A 435 -15.594 11.929 -11.693 1.00 61.41 H new ATOM 516 N LEU A 436 -13.146 13.208 -10.900 1.00 5.20 N ATOM 517 CA LEU A 436 -12.386 13.894 -11.932 1.00 0.44 C ATOM 518 C LEU A 436 -10.967 14.174 -11.471 1.00 11.31 C ATOM 519 O LEU A 436 -10.087 14.500 -12.267 1.00 1.54 O ATOM 520 CB LEU A 436 -13.087 15.203 -12.313 1.00 71.24 C ATOM 521 CG LEU A 436 -13.231 16.283 -11.248 1.00 41.14 C ATOM 522 CD1 LEU A 436 -11.973 17.117 -11.069 1.00 2.15 C ATOM 523 CD2 LEU A 436 -14.380 17.130 -11.570 1.00 73.13 C ATOM 0 H LEU A 436 -13.746 13.816 -10.342 1.00 5.20 H new ATOM 0 HA LEU A 436 -12.334 13.246 -12.807 1.00 0.44 H new ATOM 0 HB2 LEU A 436 -12.547 15.636 -13.155 1.00 71.24 H new ATOM 0 HB3 LEU A 436 -14.086 14.953 -12.670 1.00 71.24 H new ATOM 0 HG LEU A 436 -13.394 15.784 -10.293 1.00 41.14 H new ATOM 0 HD11 LEU A 436 -12.141 17.868 -10.297 1.00 2.15 H new ATOM 0 HD12 LEU A 436 -11.147 16.470 -10.773 1.00 2.15 H new ATOM 0 HD13 LEU A 436 -11.728 17.612 -12.009 1.00 2.15 H new ATOM 0 HD21 LEU A 436 -14.486 17.904 -10.810 1.00 73.13 H new ATOM 0 HD22 LEU A 436 -14.227 17.596 -12.543 1.00 73.13 H new ATOM 0 HD23 LEU A 436 -15.284 16.522 -11.597 1.00 73.13 H new ATOM 535 N MET A 437 -10.759 14.038 -10.189 1.00 44.23 N ATOM 536 CA MET A 437 -9.547 14.462 -9.558 1.00 42.13 C ATOM 537 C MET A 437 -8.504 13.336 -9.527 1.00 13.51 C ATOM 538 O MET A 437 -8.735 12.285 -8.920 1.00 2.43 O ATOM 539 CB MET A 437 -9.910 14.968 -8.174 1.00 75.41 C ATOM 540 CG MET A 437 -8.816 15.658 -7.411 1.00 62.20 C ATOM 541 SD MET A 437 -9.455 16.390 -5.890 1.00 31.54 S ATOM 542 CE MET A 437 -10.712 17.519 -6.557 1.00 20.34 C ATOM 0 H MET A 437 -11.437 13.624 -9.549 1.00 44.23 H new ATOM 0 HA MET A 437 -9.077 15.266 -10.125 1.00 42.13 H new ATOM 0 HB2 MET A 437 -10.748 15.658 -8.271 1.00 75.41 H new ATOM 0 HB3 MET A 437 -10.260 14.123 -7.581 1.00 75.41 H new ATOM 0 HG2 MET A 437 -8.027 14.944 -7.173 1.00 62.20 H new ATOM 0 HG3 MET A 437 -8.367 16.433 -8.032 1.00 62.20 H new ATOM 0 HE1 MET A 437 -10.853 18.353 -5.870 1.00 20.34 H new ATOM 0 HE2 MET A 437 -10.384 17.898 -7.525 1.00 20.34 H new ATOM 0 HE3 MET A 437 -11.654 16.984 -6.677 1.00 20.34 H new ATOM 552 N PRO A 438 -7.333 13.579 -10.194 1.00 32.54 N ATOM 553 CA PRO A 438 -6.211 12.612 -10.376 1.00 73.21 C ATOM 554 C PRO A 438 -5.921 11.675 -9.194 1.00 72.24 C ATOM 555 O PRO A 438 -5.549 10.509 -9.405 1.00 21.31 O ATOM 556 CB PRO A 438 -5.021 13.530 -10.599 1.00 45.41 C ATOM 557 CG PRO A 438 -5.587 14.695 -11.335 1.00 4.22 C ATOM 558 CD PRO A 438 -7.011 14.866 -10.861 1.00 71.51 C ATOM 0 HA PRO A 438 -6.449 11.917 -11.182 1.00 73.21 H new ATOM 0 HB2 PRO A 438 -4.573 13.836 -9.654 1.00 45.41 H new ATOM 0 HB3 PRO A 438 -4.240 13.036 -11.177 1.00 45.41 H new ATOM 0 HG2 PRO A 438 -5.004 15.595 -11.139 1.00 4.22 H new ATOM 0 HG3 PRO A 438 -5.556 14.523 -12.411 1.00 4.22 H new ATOM 0 HD2 PRO A 438 -7.103 15.705 -10.171 1.00 71.51 H new ATOM 0 HD3 PRO A 438 -7.686 15.062 -11.694 1.00 71.51 H new ATOM 566 N GLN A 439 -6.107 12.171 -7.972 1.00 10.04 N ATOM 567 CA GLN A 439 -5.821 11.400 -6.760 1.00 62.33 C ATOM 568 C GLN A 439 -6.550 10.064 -6.763 1.00 44.55 C ATOM 569 O GLN A 439 -5.944 9.022 -6.532 1.00 40.21 O ATOM 570 CB GLN A 439 -6.241 12.175 -5.512 1.00 4.23 C ATOM 571 CG GLN A 439 -5.569 13.514 -5.344 1.00 63.45 C ATOM 572 CD GLN A 439 -5.973 14.200 -4.053 1.00 35.42 C ATOM 573 OE1 GLN A 439 -6.950 14.957 -4.008 1.00 33.11 O ATOM 574 NE2 GLN A 439 -5.235 13.948 -3.006 1.00 33.13 N ATOM 0 H GLN A 439 -6.458 13.112 -7.793 1.00 10.04 H new ATOM 0 HA GLN A 439 -4.745 11.223 -6.746 1.00 62.33 H new ATOM 0 HB2 GLN A 439 -7.320 12.327 -5.542 1.00 4.23 H new ATOM 0 HB3 GLN A 439 -6.029 11.565 -4.634 1.00 4.23 H new ATOM 0 HG2 GLN A 439 -4.487 13.380 -5.359 1.00 63.45 H new ATOM 0 HG3 GLN A 439 -5.823 14.155 -6.189 1.00 63.45 H new ATOM 0 HE21 GLN A 439 -4.437 13.317 -3.084 1.00 33.13 H new ATOM 0 HE22 GLN A 439 -5.456 14.382 -2.110 1.00 33.13 H new ATOM 583 N VAL A 440 -7.829 10.086 -7.082 1.00 25.51 N ATOM 584 CA VAL A 440 -8.606 8.856 -7.052 1.00 31.04 C ATOM 585 C VAL A 440 -8.277 7.945 -8.211 1.00 41.21 C ATOM 586 O VAL A 440 -8.340 6.734 -8.079 1.00 54.04 O ATOM 587 CB VAL A 440 -10.135 9.064 -6.918 1.00 3.45 C ATOM 588 CG1 VAL A 440 -10.462 9.781 -5.623 1.00 5.44 C ATOM 589 CG2 VAL A 440 -10.706 9.814 -8.105 1.00 5.25 C ATOM 0 H VAL A 440 -8.346 10.920 -7.360 1.00 25.51 H new ATOM 0 HA VAL A 440 -8.297 8.362 -6.131 1.00 31.04 H new ATOM 0 HB VAL A 440 -10.601 8.079 -6.900 1.00 3.45 H new ATOM 0 HG11 VAL A 440 -11.541 9.919 -5.546 1.00 5.44 H new ATOM 0 HG12 VAL A 440 -10.111 9.187 -4.779 1.00 5.44 H new ATOM 0 HG13 VAL A 440 -9.970 10.754 -5.612 1.00 5.44 H new ATOM 0 HG21 VAL A 440 -11.781 9.940 -7.973 1.00 5.25 H new ATOM 0 HG22 VAL A 440 -10.232 10.793 -8.179 1.00 5.25 H new ATOM 0 HG23 VAL A 440 -10.516 9.249 -9.018 1.00 5.25 H new ATOM 599 N LEU A 441 -7.889 8.529 -9.338 1.00 1.31 N ATOM 600 CA LEU A 441 -7.520 7.740 -10.510 1.00 65.12 C ATOM 601 C LEU A 441 -6.260 6.944 -10.229 1.00 61.01 C ATOM 602 O LEU A 441 -6.107 5.824 -10.697 1.00 50.41 O ATOM 603 CB LEU A 441 -7.347 8.597 -11.792 1.00 35.21 C ATOM 604 CG LEU A 441 -8.600 9.283 -12.390 1.00 41.12 C ATOM 605 CD1 LEU A 441 -9.701 8.282 -12.674 1.00 42.22 C ATOM 606 CD2 LEU A 441 -9.105 10.421 -11.528 1.00 23.12 C ATOM 0 H LEU A 441 -7.821 9.539 -9.467 1.00 1.31 H new ATOM 0 HA LEU A 441 -8.348 7.058 -10.704 1.00 65.12 H new ATOM 0 HB2 LEU A 441 -6.613 9.374 -11.576 1.00 35.21 H new ATOM 0 HB3 LEU A 441 -6.917 7.958 -12.564 1.00 35.21 H new ATOM 0 HG LEU A 441 -8.289 9.719 -13.340 1.00 41.12 H new ATOM 0 HD11 LEU A 441 -10.564 8.800 -13.093 1.00 42.22 H new ATOM 0 HD12 LEU A 441 -9.342 7.539 -13.387 1.00 42.22 H new ATOM 0 HD13 LEU A 441 -9.990 7.786 -11.747 1.00 42.22 H new ATOM 0 HD21 LEU A 441 -9.984 10.867 -11.993 1.00 23.12 H new ATOM 0 HD22 LEU A 441 -9.370 10.040 -10.542 1.00 23.12 H new ATOM 0 HD23 LEU A 441 -8.325 11.176 -11.428 1.00 23.12 H new ATOM 618 N HIS A 442 -5.377 7.525 -9.428 1.00 21.40 N ATOM 619 CA HIS A 442 -4.150 6.857 -9.020 1.00 15.42 C ATOM 620 C HIS A 442 -4.491 5.603 -8.203 1.00 51.50 C ATOM 621 O HIS A 442 -3.880 4.559 -8.364 1.00 25.22 O ATOM 622 CB HIS A 442 -3.260 7.828 -8.215 1.00 63.30 C ATOM 623 CG HIS A 442 -1.930 7.263 -7.794 1.00 55.02 C ATOM 624 ND1 HIS A 442 -0.798 7.347 -8.566 1.00 25.50 N ATOM 625 CD2 HIS A 442 -1.559 6.619 -6.669 1.00 51.13 C ATOM 626 CE1 HIS A 442 0.207 6.781 -7.940 1.00 42.00 C ATOM 627 NE2 HIS A 442 -0.226 6.333 -6.785 1.00 63.22 N ATOM 0 H HIS A 442 -5.490 8.464 -9.046 1.00 21.40 H new ATOM 0 HA HIS A 442 -3.592 6.547 -9.904 1.00 15.42 H new ATOM 0 HB2 HIS A 442 -3.086 8.721 -8.815 1.00 63.30 H new ATOM 0 HB3 HIS A 442 -3.803 8.143 -7.324 1.00 63.30 H new ATOM 0 HD2 HIS A 442 -2.196 6.374 -5.832 1.00 51.13 H new ATOM 0 HE1 HIS A 442 1.218 6.698 -8.312 1.00 42.00 H new ATOM 0 HE2 HIS A 442 0.339 5.850 -6.087 1.00 63.22 H new ATOM 636 N TYR A 443 -5.491 5.720 -7.347 1.00 3.25 N ATOM 637 CA TYR A 443 -5.943 4.597 -6.535 1.00 22.20 C ATOM 638 C TYR A 443 -6.775 3.621 -7.351 1.00 52.04 C ATOM 639 O TYR A 443 -6.819 2.429 -7.054 1.00 21.13 O ATOM 640 CB TYR A 443 -6.692 5.065 -5.289 1.00 60.03 C ATOM 641 CG TYR A 443 -5.816 5.824 -4.308 1.00 10.20 C ATOM 642 CD1 TYR A 443 -4.916 5.154 -3.486 1.00 21.40 C ATOM 643 CD2 TYR A 443 -5.889 7.198 -4.202 1.00 41.23 C ATOM 644 CE1 TYR A 443 -4.117 5.840 -2.592 1.00 2.43 C ATOM 645 CE2 TYR A 443 -5.094 7.894 -3.313 1.00 25.23 C ATOM 646 CZ TYR A 443 -4.210 7.212 -2.510 1.00 15.33 C ATOM 647 OH TYR A 443 -3.418 7.908 -1.612 1.00 24.03 O ATOM 0 H TYR A 443 -6.010 6.585 -7.194 1.00 3.25 H new ATOM 0 HA TYR A 443 -5.054 4.066 -6.195 1.00 22.20 H new ATOM 0 HB2 TYR A 443 -7.523 5.703 -5.592 1.00 60.03 H new ATOM 0 HB3 TYR A 443 -7.122 4.199 -4.786 1.00 60.03 H new ATOM 0 HD1 TYR A 443 -4.841 4.078 -3.548 1.00 21.40 H new ATOM 0 HD2 TYR A 443 -6.583 7.740 -4.828 1.00 41.23 H new ATOM 0 HE1 TYR A 443 -3.424 5.304 -1.961 1.00 2.43 H new ATOM 0 HE2 TYR A 443 -5.166 8.970 -3.249 1.00 25.23 H new ATOM 0 HH TYR A 443 -3.608 8.867 -1.683 1.00 24.03 H new ATOM 657 N ALA A 444 -7.426 4.136 -8.375 1.00 65.40 N ATOM 658 CA ALA A 444 -8.228 3.334 -9.285 1.00 73.14 C ATOM 659 C ALA A 444 -7.339 2.344 -10.031 1.00 31.13 C ATOM 660 O ALA A 444 -7.754 1.215 -10.339 1.00 51.22 O ATOM 661 CB ALA A 444 -8.984 4.219 -10.264 1.00 0.22 C ATOM 0 H ALA A 444 -7.415 5.130 -8.603 1.00 65.40 H new ATOM 0 HA ALA A 444 -8.961 2.777 -8.702 1.00 73.14 H new ATOM 0 HB1 ALA A 444 -9.577 3.596 -10.934 1.00 0.22 H new ATOM 0 HB2 ALA A 444 -9.644 4.890 -9.714 1.00 0.22 H new ATOM 0 HB3 ALA A 444 -8.274 4.806 -10.847 1.00 0.22 H new ATOM 667 N GLN A 445 -6.115 2.772 -10.311 1.00 33.20 N ATOM 668 CA GLN A 445 -5.112 1.917 -10.923 1.00 21.41 C ATOM 669 C GLN A 445 -4.809 0.750 -9.986 1.00 62.12 C ATOM 670 O GLN A 445 -4.721 -0.397 -10.410 1.00 12.22 O ATOM 671 CB GLN A 445 -3.830 2.702 -11.171 1.00 54.23 C ATOM 672 CG GLN A 445 -3.966 3.880 -12.108 1.00 45.53 C ATOM 673 CD GLN A 445 -2.675 4.661 -12.206 1.00 33.33 C ATOM 674 OE1 GLN A 445 -2.443 5.581 -11.438 1.00 73.02 O ATOM 675 NE2 GLN A 445 -1.822 4.296 -13.122 1.00 13.41 N ATOM 0 H GLN A 445 -5.792 3.720 -10.120 1.00 33.20 H new ATOM 0 HA GLN A 445 -5.494 1.547 -11.875 1.00 21.41 H new ATOM 0 HB2 GLN A 445 -3.453 3.062 -10.214 1.00 54.23 H new ATOM 0 HB3 GLN A 445 -3.079 2.022 -11.575 1.00 54.23 H new ATOM 0 HG2 GLN A 445 -4.255 3.527 -13.098 1.00 45.53 H new ATOM 0 HG3 GLN A 445 -4.763 4.535 -11.757 1.00 45.53 H new ATOM 0 HE21 GLN A 445 -2.046 3.523 -13.749 1.00 13.41 H new ATOM 0 HE22 GLN A 445 -0.931 4.784 -13.212 1.00 13.41 H new ATOM 684 N TYR A 446 -4.684 1.057 -8.702 1.00 30.04 N ATOM 685 CA TYR A 446 -4.419 0.056 -7.679 1.00 52.23 C ATOM 686 C TYR A 446 -5.584 -0.896 -7.489 1.00 23.15 C ATOM 687 O TYR A 446 -5.394 -2.118 -7.446 1.00 51.21 O ATOM 688 CB TYR A 446 -4.071 0.705 -6.338 1.00 14.41 C ATOM 689 CG TYR A 446 -2.691 1.306 -6.253 1.00 51.32 C ATOM 690 CD1 TYR A 446 -1.592 0.507 -5.979 1.00 61.23 C ATOM 691 CD2 TYR A 446 -2.485 2.657 -6.416 1.00 32.44 C ATOM 692 CE1 TYR A 446 -0.328 1.047 -5.871 1.00 4.12 C ATOM 693 CE2 TYR A 446 -1.226 3.203 -6.315 1.00 41.22 C ATOM 694 CZ TYR A 446 -0.154 2.394 -6.043 1.00 72.02 C ATOM 695 OH TYR A 446 1.100 2.943 -5.927 1.00 22.04 O ATOM 0 H TYR A 446 -4.764 2.008 -8.341 1.00 30.04 H new ATOM 0 HA TYR A 446 -3.563 -0.518 -8.033 1.00 52.23 H new ATOM 0 HB2 TYR A 446 -4.803 1.485 -6.130 1.00 14.41 H new ATOM 0 HB3 TYR A 446 -4.172 -0.044 -5.553 1.00 14.41 H new ATOM 0 HD1 TYR A 446 -1.728 -0.556 -5.848 1.00 61.23 H new ATOM 0 HD2 TYR A 446 -3.327 3.300 -6.627 1.00 32.44 H new ATOM 0 HE1 TYR A 446 0.518 0.412 -5.652 1.00 4.12 H new ATOM 0 HE2 TYR A 446 -1.083 4.265 -6.450 1.00 41.22 H new ATOM 0 HH TYR A 446 1.049 3.910 -6.079 1.00 22.04 H new ATOM 705 N VAL A 447 -6.785 -0.349 -7.388 1.00 42.55 N ATOM 706 CA VAL A 447 -7.976 -1.156 -7.145 1.00 1.23 C ATOM 707 C VAL A 447 -8.211 -2.114 -8.322 1.00 51.31 C ATOM 708 O VAL A 447 -8.729 -3.208 -8.146 1.00 74.44 O ATOM 709 CB VAL A 447 -9.244 -0.287 -6.848 1.00 30.44 C ATOM 710 CG1 VAL A 447 -9.805 0.376 -8.089 1.00 30.34 C ATOM 711 CG2 VAL A 447 -10.310 -1.080 -6.105 1.00 32.44 C ATOM 0 H VAL A 447 -6.964 0.652 -7.470 1.00 42.55 H new ATOM 0 HA VAL A 447 -7.798 -1.743 -6.244 1.00 1.23 H new ATOM 0 HB VAL A 447 -8.915 0.518 -6.191 1.00 30.44 H new ATOM 0 HG11 VAL A 447 -10.682 0.965 -7.822 1.00 30.34 H new ATOM 0 HG12 VAL A 447 -9.049 1.029 -8.526 1.00 30.34 H new ATOM 0 HG13 VAL A 447 -10.087 -0.388 -8.813 1.00 30.34 H new ATOM 0 HG21 VAL A 447 -11.174 -0.442 -5.918 1.00 32.44 H new ATOM 0 HG22 VAL A 447 -10.615 -1.935 -6.709 1.00 32.44 H new ATOM 0 HG23 VAL A 447 -9.906 -1.432 -5.156 1.00 32.44 H new ATOM 721 N LEU A 448 -7.786 -1.692 -9.521 1.00 54.01 N ATOM 722 CA LEU A 448 -7.873 -2.493 -10.713 1.00 1.24 C ATOM 723 C LEU A 448 -7.137 -3.826 -10.508 1.00 62.20 C ATOM 724 O LEU A 448 -7.633 -4.889 -10.893 1.00 61.13 O ATOM 725 CB LEU A 448 -7.255 -1.723 -11.876 1.00 12.32 C ATOM 726 CG LEU A 448 -7.211 -2.451 -13.197 1.00 71.11 C ATOM 727 CD1 LEU A 448 -8.616 -2.749 -13.705 1.00 12.45 C ATOM 728 CD2 LEU A 448 -6.404 -1.676 -14.222 1.00 42.41 C ATOM 0 H LEU A 448 -7.371 -0.773 -9.674 1.00 54.01 H new ATOM 0 HA LEU A 448 -8.919 -2.708 -10.934 1.00 1.24 H new ATOM 0 HB2 LEU A 448 -7.814 -0.797 -12.012 1.00 12.32 H new ATOM 0 HB3 LEU A 448 -6.237 -1.444 -11.602 1.00 12.32 H new ATOM 0 HG LEU A 448 -6.709 -3.405 -13.037 1.00 71.11 H new ATOM 0 HD11 LEU A 448 -8.555 -3.274 -14.658 1.00 12.45 H new ATOM 0 HD12 LEU A 448 -9.140 -3.372 -12.981 1.00 12.45 H new ATOM 0 HD13 LEU A 448 -9.160 -1.814 -13.840 1.00 12.45 H new ATOM 0 HD21 LEU A 448 -6.390 -2.224 -15.164 1.00 42.41 H new ATOM 0 HD22 LEU A 448 -6.858 -0.698 -14.379 1.00 42.41 H new ATOM 0 HD23 LEU A 448 -5.384 -1.548 -13.861 1.00 42.41 H new ATOM 740 N LEU A 449 -5.968 -3.758 -9.880 1.00 52.01 N ATOM 741 CA LEU A 449 -5.191 -4.958 -9.560 1.00 21.51 C ATOM 742 C LEU A 449 -5.880 -5.769 -8.483 1.00 13.30 C ATOM 743 O LEU A 449 -5.795 -6.996 -8.470 1.00 52.44 O ATOM 744 CB LEU A 449 -3.743 -4.638 -9.127 1.00 14.10 C ATOM 745 CG LEU A 449 -2.724 -4.250 -10.216 1.00 53.03 C ATOM 746 CD1 LEU A 449 -3.144 -3.024 -10.991 1.00 11.14 C ATOM 747 CD2 LEU A 449 -1.362 -4.034 -9.591 1.00 33.34 C ATOM 0 H LEU A 449 -5.534 -2.885 -9.581 1.00 52.01 H new ATOM 0 HA LEU A 449 -5.134 -5.541 -10.479 1.00 21.51 H new ATOM 0 HB2 LEU A 449 -3.784 -3.823 -8.405 1.00 14.10 H new ATOM 0 HB3 LEU A 449 -3.353 -5.510 -8.602 1.00 14.10 H new ATOM 0 HG LEU A 449 -2.677 -5.075 -10.927 1.00 53.03 H new ATOM 0 HD11 LEU A 449 -2.391 -2.795 -11.745 1.00 11.14 H new ATOM 0 HD12 LEU A 449 -4.101 -3.212 -11.479 1.00 11.14 H new ATOM 0 HD13 LEU A 449 -3.244 -2.179 -10.309 1.00 11.14 H new ATOM 0 HD21 LEU A 449 -0.646 -3.760 -10.365 1.00 33.34 H new ATOM 0 HD22 LEU A 449 -1.423 -3.234 -8.853 1.00 33.34 H new ATOM 0 HD23 LEU A 449 -1.036 -4.953 -9.103 1.00 33.34 H new ATOM 759 N GLY A 450 -6.562 -5.075 -7.583 1.00 4.22 N ATOM 760 CA GLY A 450 -7.291 -5.734 -6.517 1.00 24.13 C ATOM 761 C GLY A 450 -8.407 -6.591 -7.069 1.00 50.03 C ATOM 762 O GLY A 450 -8.520 -7.764 -6.728 1.00 22.50 O ATOM 0 H GLY A 450 -6.624 -4.057 -7.572 1.00 4.22 H new ATOM 0 HA2 GLY A 450 -6.608 -6.352 -5.934 1.00 24.13 H new ATOM 0 HA3 GLY A 450 -7.703 -4.987 -5.839 1.00 24.13 H new ATOM 766 N LEU A 451 -9.209 -6.015 -7.955 1.00 15.41 N ATOM 767 CA LEU A 451 -10.293 -6.752 -8.613 1.00 25.21 C ATOM 768 C LEU A 451 -9.744 -7.842 -9.514 1.00 42.42 C ATOM 769 O LEU A 451 -10.322 -8.928 -9.608 1.00 44.33 O ATOM 770 CB LEU A 451 -11.253 -5.825 -9.402 1.00 23.14 C ATOM 771 CG LEU A 451 -12.295 -5.005 -8.595 1.00 55.41 C ATOM 772 CD1 LEU A 451 -11.651 -4.095 -7.578 1.00 32.31 C ATOM 773 CD2 LEU A 451 -13.174 -4.202 -9.534 1.00 11.33 C ATOM 0 H LEU A 451 -9.133 -5.038 -8.239 1.00 15.41 H new ATOM 0 HA LEU A 451 -10.878 -7.216 -7.819 1.00 25.21 H new ATOM 0 HB2 LEU A 451 -10.646 -5.124 -9.974 1.00 23.14 H new ATOM 0 HB3 LEU A 451 -11.795 -6.439 -10.122 1.00 23.14 H new ATOM 0 HG LEU A 451 -12.908 -5.719 -8.045 1.00 55.41 H new ATOM 0 HD11 LEU A 451 -12.424 -3.545 -7.041 1.00 32.31 H new ATOM 0 HD12 LEU A 451 -11.073 -4.690 -6.872 1.00 32.31 H new ATOM 0 HD13 LEU A 451 -10.991 -3.392 -8.086 1.00 32.31 H new ATOM 0 HD21 LEU A 451 -13.900 -3.632 -8.954 1.00 11.33 H new ATOM 0 HD22 LEU A 451 -12.556 -3.518 -10.115 1.00 11.33 H new ATOM 0 HD23 LEU A 451 -13.699 -4.878 -10.209 1.00 11.33 H new ATOM 785 N GLY A 452 -8.622 -7.560 -10.158 1.00 3.51 N ATOM 786 CA GLY A 452 -7.980 -8.542 -11.010 1.00 72.11 C ATOM 787 C GLY A 452 -7.508 -9.737 -10.211 1.00 54.23 C ATOM 788 O GLY A 452 -7.715 -10.887 -10.609 1.00 52.13 O ATOM 0 H GLY A 452 -8.141 -6.662 -10.106 1.00 3.51 H new ATOM 0 HA2 GLY A 452 -8.678 -8.870 -11.781 1.00 72.11 H new ATOM 0 HA3 GLY A 452 -7.132 -8.085 -11.521 1.00 72.11 H new ATOM 792 N GLY A 453 -6.897 -9.459 -9.075 1.00 14.02 N ATOM 793 CA GLY A 453 -6.437 -10.497 -8.197 1.00 5.51 C ATOM 794 C GLY A 453 -7.592 -11.239 -7.571 1.00 5.10 C ATOM 795 O GLY A 453 -7.557 -12.451 -7.454 1.00 41.42 O ATOM 0 H GLY A 453 -6.711 -8.512 -8.744 1.00 14.02 H new ATOM 0 HA2 GLY A 453 -5.812 -11.196 -8.753 1.00 5.51 H new ATOM 0 HA3 GLY A 453 -5.813 -10.064 -7.415 1.00 5.51 H new ATOM 799 N LEU A 454 -8.628 -10.501 -7.188 1.00 5.24 N ATOM 800 CA LEU A 454 -9.839 -11.077 -6.589 1.00 34.42 C ATOM 801 C LEU A 454 -10.517 -12.034 -7.570 1.00 53.43 C ATOM 802 O LEU A 454 -11.110 -13.035 -7.175 1.00 43.20 O ATOM 803 CB LEU A 454 -10.812 -9.961 -6.187 1.00 71.15 C ATOM 804 CG LEU A 454 -12.116 -10.391 -5.508 1.00 50.34 C ATOM 805 CD1 LEU A 454 -11.839 -11.093 -4.183 1.00 11.10 C ATOM 806 CD2 LEU A 454 -13.020 -9.191 -5.301 1.00 51.51 C ATOM 0 H LEU A 454 -8.658 -9.486 -7.282 1.00 5.24 H new ATOM 0 HA LEU A 454 -9.553 -11.636 -5.698 1.00 34.42 H new ATOM 0 HB2 LEU A 454 -10.289 -9.280 -5.516 1.00 71.15 H new ATOM 0 HB3 LEU A 454 -11.067 -9.394 -7.082 1.00 71.15 H new ATOM 0 HG LEU A 454 -12.623 -11.101 -6.161 1.00 50.34 H new ATOM 0 HD11 LEU A 454 -12.782 -11.387 -3.723 1.00 11.10 H new ATOM 0 HD12 LEU A 454 -11.230 -11.979 -4.361 1.00 11.10 H new ATOM 0 HD13 LEU A 454 -11.306 -10.415 -3.516 1.00 11.10 H new ATOM 0 HD21 LEU A 454 -13.943 -9.510 -4.818 1.00 51.51 H new ATOM 0 HD22 LEU A 454 -12.515 -8.459 -4.671 1.00 51.51 H new ATOM 0 HD23 LEU A 454 -13.253 -8.740 -6.266 1.00 51.51 H new ATOM 818 N LEU A 455 -10.388 -11.731 -8.852 1.00 11.22 N ATOM 819 CA LEU A 455 -10.949 -12.549 -9.920 1.00 4.41 C ATOM 820 C LEU A 455 -10.325 -13.957 -9.898 1.00 63.13 C ATOM 821 O LEU A 455 -10.945 -14.937 -10.317 1.00 65.14 O ATOM 822 CB LEU A 455 -10.705 -11.877 -11.278 1.00 22.42 C ATOM 823 CG LEU A 455 -11.350 -12.541 -12.492 1.00 41.41 C ATOM 824 CD1 LEU A 455 -12.866 -12.502 -12.377 1.00 15.22 C ATOM 825 CD2 LEU A 455 -10.893 -11.872 -13.776 1.00 1.50 C ATOM 0 H LEU A 455 -9.889 -10.906 -9.185 1.00 11.22 H new ATOM 0 HA LEU A 455 -12.023 -12.645 -9.764 1.00 4.41 H new ATOM 0 HB2 LEU A 455 -11.065 -10.850 -11.220 1.00 22.42 H new ATOM 0 HB3 LEU A 455 -9.629 -11.829 -11.447 1.00 22.42 H new ATOM 0 HG LEU A 455 -11.034 -13.584 -12.521 1.00 41.41 H new ATOM 0 HD11 LEU A 455 -13.310 -12.980 -13.251 1.00 15.22 H new ATOM 0 HD12 LEU A 455 -13.176 -13.032 -11.477 1.00 15.22 H new ATOM 0 HD13 LEU A 455 -13.200 -11.466 -12.321 1.00 15.22 H new ATOM 0 HD21 LEU A 455 -11.365 -12.361 -14.629 1.00 1.50 H new ATOM 0 HD22 LEU A 455 -11.176 -10.820 -13.759 1.00 1.50 H new ATOM 0 HD23 LEU A 455 -9.810 -11.955 -13.864 1.00 1.50 H new ATOM 837 N LEU A 456 -9.095 -14.040 -9.405 1.00 60.24 N ATOM 838 CA LEU A 456 -8.382 -15.304 -9.290 1.00 11.24 C ATOM 839 C LEU A 456 -8.918 -16.098 -8.101 1.00 63.45 C ATOM 840 O LEU A 456 -8.927 -17.332 -8.115 1.00 44.14 O ATOM 841 CB LEU A 456 -6.888 -15.051 -9.098 1.00 5.33 C ATOM 842 CG LEU A 456 -6.191 -14.221 -10.179 1.00 63.10 C ATOM 843 CD1 LEU A 456 -4.730 -14.018 -9.831 1.00 1.43 C ATOM 844 CD2 LEU A 456 -6.326 -14.883 -11.538 1.00 62.04 C ATOM 0 H LEU A 456 -8.565 -13.233 -9.074 1.00 60.24 H new ATOM 0 HA LEU A 456 -8.534 -15.874 -10.206 1.00 11.24 H new ATOM 0 HB2 LEU A 456 -6.747 -14.551 -8.140 1.00 5.33 H new ATOM 0 HB3 LEU A 456 -6.385 -16.015 -9.031 1.00 5.33 H new ATOM 0 HG LEU A 456 -6.676 -13.246 -10.226 1.00 63.10 H new ATOM 0 HD11 LEU A 456 -4.249 -13.426 -10.610 1.00 1.43 H new ATOM 0 HD12 LEU A 456 -4.652 -13.495 -8.878 1.00 1.43 H new ATOM 0 HD13 LEU A 456 -4.236 -14.987 -9.755 1.00 1.43 H new ATOM 0 HD21 LEU A 456 -5.823 -14.275 -12.290 1.00 62.04 H new ATOM 0 HD22 LEU A 456 -5.871 -15.873 -11.507 1.00 62.04 H new ATOM 0 HD23 LEU A 456 -7.381 -14.977 -11.794 1.00 62.04 H new ATOM 856 N LEU A 457 -9.389 -15.377 -7.088 1.00 12.31 N ATOM 857 CA LEU A 457 -9.934 -15.989 -5.881 1.00 24.21 C ATOM 858 C LEU A 457 -11.307 -16.574 -6.100 1.00 24.25 C ATOM 859 O LEU A 457 -11.642 -17.552 -5.477 1.00 60.02 O ATOM 860 CB LEU A 457 -9.965 -15.025 -4.667 1.00 23.22 C ATOM 861 CG LEU A 457 -8.641 -14.727 -3.933 1.00 5.44 C ATOM 862 CD1 LEU A 457 -8.034 -15.992 -3.369 1.00 31.25 C ATOM 863 CD2 LEU A 457 -7.648 -14.009 -4.808 1.00 44.02 C ATOM 0 H LEU A 457 -9.404 -14.357 -7.080 1.00 12.31 H new ATOM 0 HA LEU A 457 -9.244 -16.799 -5.646 1.00 24.21 H new ATOM 0 HB2 LEU A 457 -10.377 -14.075 -5.008 1.00 23.22 H new ATOM 0 HB3 LEU A 457 -10.665 -15.432 -3.937 1.00 23.22 H new ATOM 0 HG LEU A 457 -8.886 -14.059 -3.107 1.00 5.44 H new ATOM 0 HD11 LEU A 457 -7.102 -15.752 -2.857 1.00 31.25 H new ATOM 0 HD12 LEU A 457 -8.729 -16.446 -2.663 1.00 31.25 H new ATOM 0 HD13 LEU A 457 -7.833 -16.692 -4.180 1.00 31.25 H new ATOM 0 HD21 LEU A 457 -6.734 -13.823 -4.244 1.00 44.02 H new ATOM 0 HD22 LEU A 457 -7.419 -14.624 -5.678 1.00 44.02 H new ATOM 0 HD23 LEU A 457 -8.072 -13.060 -5.136 1.00 44.02 H new ATOM 875 N VAL A 458 -12.089 -15.980 -6.996 1.00 51.15 N ATOM 876 CA VAL A 458 -13.469 -16.439 -7.266 1.00 73.41 C ATOM 877 C VAL A 458 -13.574 -17.989 -7.517 1.00 34.00 C ATOM 878 O VAL A 458 -14.373 -18.667 -6.854 1.00 1.42 O ATOM 879 CB VAL A 458 -14.156 -15.627 -8.409 1.00 70.12 C ATOM 880 CG1 VAL A 458 -15.577 -16.103 -8.637 1.00 70.31 C ATOM 881 CG2 VAL A 458 -14.154 -14.143 -8.078 1.00 10.41 C ATOM 0 H VAL A 458 -11.800 -15.177 -7.554 1.00 51.15 H new ATOM 0 HA VAL A 458 -14.021 -16.239 -6.348 1.00 73.41 H new ATOM 0 HB VAL A 458 -13.588 -15.790 -9.325 1.00 70.12 H new ATOM 0 HG11 VAL A 458 -16.032 -15.520 -9.438 1.00 70.31 H new ATOM 0 HG12 VAL A 458 -15.567 -17.157 -8.915 1.00 70.31 H new ATOM 0 HG13 VAL A 458 -16.155 -15.974 -7.722 1.00 70.31 H new ATOM 0 HG21 VAL A 458 -14.636 -13.590 -8.884 1.00 10.41 H new ATOM 0 HG22 VAL A 458 -14.698 -13.977 -7.148 1.00 10.41 H new ATOM 0 HG23 VAL A 458 -13.127 -13.797 -7.964 1.00 10.41 H new ATOM 891 N PRO A 459 -12.768 -18.587 -8.447 1.00 4.45 N ATOM 892 CA PRO A 459 -12.782 -20.045 -8.657 1.00 40.54 C ATOM 893 C PRO A 459 -12.257 -20.788 -7.422 1.00 62.23 C ATOM 894 O PRO A 459 -12.680 -21.903 -7.119 1.00 13.32 O ATOM 895 CB PRO A 459 -11.837 -20.253 -9.842 1.00 52.23 C ATOM 896 CG PRO A 459 -11.731 -18.919 -10.480 1.00 71.01 C ATOM 897 CD PRO A 459 -11.831 -17.931 -9.372 1.00 63.35 C ATOM 0 HA PRO A 459 -13.787 -20.428 -8.836 1.00 40.54 H new ATOM 0 HB2 PRO A 459 -10.862 -20.612 -9.512 1.00 52.23 H new ATOM 0 HB3 PRO A 459 -12.231 -20.994 -10.537 1.00 52.23 H new ATOM 0 HG2 PRO A 459 -10.786 -18.814 -11.013 1.00 71.01 H new ATOM 0 HG3 PRO A 459 -12.527 -18.770 -11.210 1.00 71.01 H new ATOM 0 HD2 PRO A 459 -10.864 -17.744 -8.906 1.00 63.35 H new ATOM 0 HD3 PRO A 459 -12.209 -16.969 -9.718 1.00 63.35 H new ATOM 905 N ILE A 460 -11.363 -20.141 -6.693 1.00 22.01 N ATOM 906 CA ILE A 460 -10.794 -20.715 -5.490 1.00 55.40 C ATOM 907 C ILE A 460 -11.852 -20.781 -4.390 1.00 51.53 C ATOM 908 O ILE A 460 -11.895 -21.733 -3.635 1.00 42.23 O ATOM 909 CB ILE A 460 -9.541 -19.926 -5.002 1.00 13.24 C ATOM 910 CG1 ILE A 460 -8.450 -19.963 -6.079 1.00 53.13 C ATOM 911 CG2 ILE A 460 -9.009 -20.482 -3.678 1.00 2.23 C ATOM 912 CD1 ILE A 460 -7.183 -19.223 -5.707 1.00 30.14 C ATOM 0 H ILE A 460 -11.014 -19.209 -6.918 1.00 22.01 H new ATOM 0 HA ILE A 460 -10.463 -21.726 -5.729 1.00 55.40 H new ATOM 0 HB ILE A 460 -9.837 -18.891 -4.827 1.00 13.24 H new ATOM 0 HG12 ILE A 460 -8.201 -21.003 -6.292 1.00 53.13 H new ATOM 0 HG13 ILE A 460 -8.849 -19.536 -6.999 1.00 53.13 H new ATOM 0 HG21 ILE A 460 -8.136 -19.909 -3.367 1.00 2.23 H new ATOM 0 HG22 ILE A 460 -9.783 -20.406 -2.914 1.00 2.23 H new ATOM 0 HG23 ILE A 460 -8.729 -21.527 -3.809 1.00 2.23 H new ATOM 0 HD11 ILE A 460 -6.464 -19.299 -6.523 1.00 30.14 H new ATOM 0 HD12 ILE A 460 -7.415 -18.174 -5.524 1.00 30.14 H new ATOM 0 HD13 ILE A 460 -6.756 -19.663 -4.806 1.00 30.14 H new ATOM 924 N ILE A 461 -12.737 -19.780 -4.350 1.00 4.54 N ATOM 925 CA ILE A 461 -13.834 -19.735 -3.370 1.00 15.11 C ATOM 926 C ILE A 461 -14.718 -20.984 -3.524 1.00 32.34 C ATOM 927 O ILE A 461 -15.275 -21.510 -2.548 1.00 3.02 O ATOM 928 CB ILE A 461 -14.718 -18.449 -3.539 1.00 63.43 C ATOM 929 CG1 ILE A 461 -13.878 -17.160 -3.422 1.00 53.11 C ATOM 930 CG2 ILE A 461 -15.855 -18.422 -2.520 1.00 44.35 C ATOM 931 CD1 ILE A 461 -13.168 -16.977 -2.093 1.00 22.50 C ATOM 0 H ILE A 461 -12.717 -18.984 -4.988 1.00 4.54 H new ATOM 0 HA ILE A 461 -13.387 -19.708 -2.376 1.00 15.11 H new ATOM 0 HB ILE A 461 -15.145 -18.489 -4.541 1.00 63.43 H new ATOM 0 HG12 ILE A 461 -13.134 -17.155 -4.218 1.00 53.11 H new ATOM 0 HG13 ILE A 461 -14.530 -16.303 -3.590 1.00 53.11 H new ATOM 0 HG21 ILE A 461 -16.450 -17.520 -2.662 1.00 44.35 H new ATOM 0 HG22 ILE A 461 -16.488 -19.299 -2.658 1.00 44.35 H new ATOM 0 HG23 ILE A 461 -15.440 -18.428 -1.512 1.00 44.35 H new ATOM 0 HD11 ILE A 461 -12.604 -16.044 -2.107 1.00 22.50 H new ATOM 0 HD12 ILE A 461 -13.903 -16.945 -1.289 1.00 22.50 H new ATOM 0 HD13 ILE A 461 -12.486 -17.811 -1.927 1.00 22.50 H new ATOM 943 N CYS A 462 -14.796 -21.475 -4.742 1.00 63.31 N ATOM 944 CA CYS A 462 -15.573 -22.651 -5.054 1.00 15.42 C ATOM 945 C CYS A 462 -14.831 -23.912 -4.573 1.00 12.33 C ATOM 946 O CYS A 462 -15.442 -24.890 -4.145 1.00 43.01 O ATOM 947 CB CYS A 462 -15.824 -22.707 -6.563 1.00 33.41 C ATOM 948 SG CYS A 462 -16.620 -21.215 -7.225 1.00 72.30 S ATOM 0 H CYS A 462 -14.319 -21.067 -5.546 1.00 63.31 H new ATOM 0 HA CYS A 462 -16.534 -22.605 -4.541 1.00 15.42 H new ATOM 0 HB2 CYS A 462 -14.874 -22.859 -7.075 1.00 33.41 H new ATOM 0 HB3 CYS A 462 -16.449 -23.572 -6.787 1.00 33.41 H new ATOM 0 HG CYS A 462 -15.803 -20.208 -7.129 1.00 72.30 H new ATOM 954 N GLN A 463 -13.508 -23.862 -4.609 1.00 24.13 N ATOM 955 CA GLN A 463 -12.671 -24.980 -4.182 1.00 23.44 C ATOM 956 C GLN A 463 -12.600 -25.016 -2.670 1.00 30.11 C ATOM 957 O GLN A 463 -12.427 -26.068 -2.057 1.00 52.10 O ATOM 958 CB GLN A 463 -11.271 -24.863 -4.789 1.00 23.35 C ATOM 959 CG GLN A 463 -11.256 -24.941 -6.310 1.00 14.12 C ATOM 960 CD GLN A 463 -11.783 -26.267 -6.835 1.00 54.12 C ATOM 961 OE1 GLN A 463 -11.648 -27.314 -6.187 1.00 3.23 O ATOM 962 NE2 GLN A 463 -12.387 -26.243 -7.995 1.00 10.52 N ATOM 0 H GLN A 463 -12.983 -23.050 -4.933 1.00 24.13 H new ATOM 0 HA GLN A 463 -13.113 -25.912 -4.535 1.00 23.44 H new ATOM 0 HB2 GLN A 463 -10.827 -23.917 -4.478 1.00 23.35 H new ATOM 0 HB3 GLN A 463 -10.642 -25.657 -4.387 1.00 23.35 H new ATOM 0 HG2 GLN A 463 -11.858 -24.129 -6.717 1.00 14.12 H new ATOM 0 HG3 GLN A 463 -10.237 -24.793 -6.667 1.00 14.12 H new ATOM 0 HE21 GLN A 463 -12.481 -25.363 -8.503 1.00 10.52 H new ATOM 0 HE22 GLN A 463 -12.764 -27.104 -8.392 1.00 10.52 H new ATOM 971 N LEU A 464 -12.780 -23.841 -2.081 1.00 34.55 N ATOM 972 CA LEU A 464 -12.764 -23.637 -0.642 1.00 54.34 C ATOM 973 C LEU A 464 -13.712 -24.507 0.114 1.00 44.42 C ATOM 974 O LEU A 464 -13.536 -24.686 1.288 1.00 34.21 O ATOM 975 CB LEU A 464 -12.932 -22.183 -0.229 1.00 42.14 C ATOM 976 CG LEU A 464 -11.827 -21.236 -0.648 1.00 51.25 C ATOM 977 CD1 LEU A 464 -12.071 -19.854 -0.094 1.00 14.33 C ATOM 978 CD2 LEU A 464 -10.468 -21.759 -0.227 1.00 72.00 C ATOM 0 H LEU A 464 -12.945 -22.982 -2.606 1.00 34.55 H new ATOM 0 HA LEU A 464 -11.758 -23.947 -0.360 1.00 54.34 H new ATOM 0 HB2 LEU A 464 -13.872 -21.816 -0.641 1.00 42.14 H new ATOM 0 HB3 LEU A 464 -13.023 -22.144 0.856 1.00 42.14 H new ATOM 0 HG LEU A 464 -11.833 -21.172 -1.736 1.00 51.25 H new ATOM 0 HD11 LEU A 464 -11.266 -19.189 -0.407 1.00 14.33 H new ATOM 0 HD12 LEU A 464 -13.021 -19.474 -0.469 1.00 14.33 H new ATOM 0 HD13 LEU A 464 -12.102 -19.899 0.995 1.00 14.33 H new ATOM 0 HD21 LEU A 464 -9.695 -21.058 -0.542 1.00 72.00 H new ATOM 0 HD22 LEU A 464 -10.440 -21.868 0.857 1.00 72.00 H new ATOM 0 HD23 LEU A 464 -10.291 -22.728 -0.694 1.00 72.00 H new ATOM 990 N ARG A 465 -14.738 -25.039 -0.538 1.00 2.24 N ATOM 991 CA ARG A 465 -15.691 -25.882 0.171 1.00 2.44 C ATOM 992 C ARG A 465 -14.983 -27.141 0.717 1.00 44.41 C ATOM 993 O ARG A 465 -15.444 -27.752 1.664 1.00 14.24 O ATOM 994 CB ARG A 465 -16.871 -26.304 -0.717 1.00 23.31 C ATOM 995 CG ARG A 465 -17.593 -25.169 -1.453 1.00 34.13 C ATOM 996 CD ARG A 465 -17.945 -23.979 -0.556 1.00 23.14 C ATOM 997 NE ARG A 465 -18.680 -24.334 0.668 1.00 23.44 N ATOM 998 CZ ARG A 465 -19.899 -23.882 0.993 1.00 34.22 C ATOM 999 NH1 ARG A 465 -20.675 -23.289 0.081 1.00 34.12 N ATOM 1000 NH2 ARG A 465 -20.352 -24.055 2.229 1.00 74.14 N ATOM 0 H ARG A 465 -14.929 -24.907 -1.531 1.00 2.24 H new ATOM 0 HA ARG A 465 -16.090 -25.290 0.995 1.00 2.44 H new ATOM 0 HB2 ARG A 465 -16.507 -27.017 -1.457 1.00 23.31 H new ATOM 0 HB3 ARG A 465 -17.598 -26.830 -0.097 1.00 23.31 H new ATOM 0 HG2 ARG A 465 -16.964 -24.821 -2.272 1.00 34.13 H new ATOM 0 HG3 ARG A 465 -18.508 -25.561 -1.898 1.00 34.13 H new ATOM 0 HD2 ARG A 465 -17.025 -23.466 -0.276 1.00 23.14 H new ATOM 0 HD3 ARG A 465 -18.542 -23.271 -1.131 1.00 23.14 H new ATOM 0 HE ARG A 465 -18.226 -24.974 1.320 1.00 23.44 H new ATOM 0 HH11 ARG A 465 -20.342 -23.176 -0.876 1.00 34.12 H new ATOM 0 HH12 ARG A 465 -21.601 -22.950 0.342 1.00 34.12 H new ATOM 0 HH21 ARG A 465 -19.773 -24.529 2.923 1.00 74.14 H new ATOM 0 HH22 ARG A 465 -21.279 -23.714 2.485 1.00 74.14 H new ATOM 1014 N SER A 466 -13.848 -27.492 0.119 1.00 63.11 N ATOM 1015 CA SER A 466 -13.041 -28.595 0.601 1.00 43.41 C ATOM 1016 C SER A 466 -12.149 -28.107 1.768 1.00 32.35 C ATOM 1017 O SER A 466 -11.886 -28.836 2.721 1.00 25.00 O ATOM 1018 CB SER A 466 -12.167 -29.119 -0.544 1.00 21.51 C ATOM 1019 OG SER A 466 -12.962 -29.454 -1.681 1.00 23.44 O ATOM 0 H SER A 466 -13.470 -27.022 -0.704 1.00 63.11 H new ATOM 0 HA SER A 466 -13.686 -29.398 0.957 1.00 43.41 H new ATOM 0 HB2 SER A 466 -11.431 -28.364 -0.820 1.00 21.51 H new ATOM 0 HB3 SER A 466 -11.613 -29.997 -0.211 1.00 21.51 H new ATOM 0 HG SER A 466 -12.383 -29.784 -2.399 1.00 23.44 H new ATOM 1025 N GLN A 467 -11.733 -26.853 1.686 1.00 61.14 N ATOM 1026 CA GLN A 467 -10.860 -26.218 2.679 1.00 1.34 C ATOM 1027 C GLN A 467 -11.674 -25.885 3.944 1.00 33.32 C ATOM 1028 O GLN A 467 -11.181 -25.989 5.075 1.00 44.43 O ATOM 1029 CB GLN A 467 -10.218 -24.943 2.023 1.00 61.41 C ATOM 1030 CG GLN A 467 -9.160 -24.180 2.848 1.00 71.43 C ATOM 1031 CD GLN A 467 -9.708 -23.368 4.012 1.00 22.11 C ATOM 1032 OE1 GLN A 467 -10.836 -22.868 3.972 1.00 74.24 O ATOM 1033 NE2 GLN A 467 -8.911 -23.218 5.041 1.00 44.02 N ATOM 0 H GLN A 467 -11.992 -26.233 0.919 1.00 61.14 H new ATOM 0 HA GLN A 467 -10.056 -26.887 2.987 1.00 1.34 H new ATOM 0 HB2 GLN A 467 -9.759 -25.243 1.081 1.00 61.41 H new ATOM 0 HB3 GLN A 467 -11.022 -24.248 1.779 1.00 61.41 H new ATOM 0 HG2 GLN A 467 -8.437 -24.898 3.235 1.00 71.43 H new ATOM 0 HG3 GLN A 467 -8.617 -23.509 2.182 1.00 71.43 H new ATOM 0 HE21 GLN A 467 -7.986 -23.647 5.036 1.00 44.02 H new ATOM 0 HE22 GLN A 467 -9.216 -22.672 5.847 1.00 44.02 H new ATOM 1042 N GLU A 468 -12.921 -25.551 3.717 1.00 32.04 N ATOM 1043 CA GLU A 468 -13.882 -25.159 4.734 1.00 71.13 C ATOM 1044 C GLU A 468 -14.235 -26.341 5.644 1.00 62.41 C ATOM 1045 O GLU A 468 -14.684 -26.150 6.781 1.00 21.33 O ATOM 1046 CB GLU A 468 -15.149 -24.661 4.020 1.00 41.03 C ATOM 1047 CG GLU A 468 -16.266 -24.207 4.927 1.00 44.13 C ATOM 1048 CD GLU A 468 -17.528 -23.889 4.169 1.00 2.04 C ATOM 1049 OE1 GLU A 468 -18.230 -24.848 3.738 1.00 23.40 O ATOM 1050 OE2 GLU A 468 -17.868 -22.698 4.021 1.00 25.20 O ATOM 0 H GLU A 468 -13.317 -25.543 2.777 1.00 32.04 H new ATOM 0 HA GLU A 468 -13.452 -24.375 5.358 1.00 71.13 H new ATOM 0 HB2 GLU A 468 -14.875 -23.833 3.366 1.00 41.03 H new ATOM 0 HB3 GLU A 468 -15.524 -25.461 3.382 1.00 41.03 H new ATOM 0 HG2 GLU A 468 -16.473 -24.985 5.662 1.00 44.13 H new ATOM 0 HG3 GLU A 468 -15.945 -23.324 5.480 1.00 44.13 H new ATOM 1057 N LYS A 469 -14.023 -27.548 5.147 1.00 54.42 N ATOM 1058 CA LYS A 469 -14.335 -28.747 5.895 1.00 63.12 C ATOM 1059 C LYS A 469 -13.419 -28.907 7.090 1.00 2.51 C ATOM 1060 O LYS A 469 -12.278 -29.359 6.974 1.00 4.44 O ATOM 1061 CB LYS A 469 -14.306 -29.987 5.005 1.00 51.12 C ATOM 1062 CG LYS A 469 -15.318 -29.950 3.904 1.00 13.34 C ATOM 1063 CD LYS A 469 -15.259 -31.194 3.067 1.00 54.35 C ATOM 1064 CE LYS A 469 -16.296 -31.140 1.984 1.00 40.01 C ATOM 1065 NZ LYS A 469 -16.291 -32.354 1.142 1.00 64.24 N ATOM 0 H LYS A 469 -13.633 -27.720 4.221 1.00 54.42 H new ATOM 0 HA LYS A 469 -15.352 -28.639 6.271 1.00 63.12 H new ATOM 0 HB2 LYS A 469 -13.311 -30.091 4.571 1.00 51.12 H new ATOM 0 HB3 LYS A 469 -14.480 -30.871 5.619 1.00 51.12 H new ATOM 0 HG2 LYS A 469 -16.316 -29.842 4.328 1.00 13.34 H new ATOM 0 HG3 LYS A 469 -15.142 -29.077 3.275 1.00 13.34 H new ATOM 0 HD2 LYS A 469 -14.268 -31.298 2.626 1.00 54.35 H new ATOM 0 HD3 LYS A 469 -15.423 -32.071 3.694 1.00 54.35 H new ATOM 0 HE2 LYS A 469 -17.281 -31.016 2.433 1.00 40.01 H new ATOM 0 HE3 LYS A 469 -16.119 -30.265 1.358 1.00 40.01 H new ATOM 0 HZ1 LYS A 469 -17.024 -32.271 0.408 1.00 64.24 H new ATOM 0 HZ2 LYS A 469 -15.360 -32.460 0.691 1.00 64.24 H new ATOM 0 HZ3 LYS A 469 -16.486 -33.187 1.733 1.00 64.24 H new ATOM 1079 N CYS A 470 -13.907 -28.472 8.207 1.00 53.42 N ATOM 1080 CA CYS A 470 -13.236 -28.545 9.471 1.00 54.20 C ATOM 1081 C CYS A 470 -14.310 -28.785 10.512 1.00 2.23 C ATOM 1082 O CYS A 470 -15.490 -28.788 10.169 1.00 34.25 O ATOM 1083 CB CYS A 470 -12.484 -27.229 9.752 1.00 13.34 C ATOM 1084 SG CYS A 470 -11.239 -26.802 8.501 1.00 21.42 S ATOM 0 H CYS A 470 -14.827 -28.035 8.269 1.00 53.42 H new ATOM 0 HA CYS A 470 -12.496 -29.346 9.485 1.00 54.20 H new ATOM 0 HB2 CYS A 470 -13.208 -26.417 9.820 1.00 13.34 H new ATOM 0 HB3 CYS A 470 -11.996 -27.303 10.724 1.00 13.34 H new ATOM 0 HG CYS A 470 -11.217 -27.719 7.580 1.00 21.42 H new ATOM 1090 N PHE A 471 -13.949 -28.997 11.743 1.00 74.24 N ATOM 1091 CA PHE A 471 -14.957 -29.261 12.743 1.00 33.20 C ATOM 1092 C PHE A 471 -14.876 -28.202 13.855 1.00 72.35 C ATOM 1093 O PHE A 471 -15.439 -28.363 14.938 1.00 23.22 O ATOM 1094 CB PHE A 471 -14.793 -30.706 13.280 1.00 60.13 C ATOM 1095 CG PHE A 471 -15.968 -31.211 14.086 1.00 72.34 C ATOM 1096 CD1 PHE A 471 -17.165 -31.516 13.454 1.00 13.25 C ATOM 1097 CD2 PHE A 471 -15.875 -31.395 15.455 1.00 12.15 C ATOM 1098 CE1 PHE A 471 -18.243 -31.988 14.170 1.00 55.34 C ATOM 1099 CE2 PHE A 471 -16.953 -31.866 16.178 1.00 65.30 C ATOM 1100 CZ PHE A 471 -18.139 -32.161 15.534 1.00 52.33 C ATOM 0 H PHE A 471 -12.986 -28.994 12.081 1.00 74.24 H new ATOM 0 HA PHE A 471 -15.952 -29.191 12.305 1.00 33.20 H new ATOM 0 HB2 PHE A 471 -14.631 -31.378 12.437 1.00 60.13 H new ATOM 0 HB3 PHE A 471 -13.897 -30.751 13.899 1.00 60.13 H new ATOM 0 HD1 PHE A 471 -17.253 -31.381 12.386 1.00 13.25 H new ATOM 0 HD2 PHE A 471 -14.949 -31.168 15.963 1.00 12.15 H new ATOM 0 HE1 PHE A 471 -19.168 -32.222 13.664 1.00 55.34 H new ATOM 0 HE2 PHE A 471 -16.869 -32.004 17.246 1.00 65.30 H new ATOM 0 HZ PHE A 471 -18.984 -32.527 16.098 1.00 52.33 H new ATOM 1110 N LEU A 472 -14.201 -27.096 13.556 1.00 10.34 N ATOM 1111 CA LEU A 472 -14.067 -25.996 14.512 1.00 41.33 C ATOM 1112 C LEU A 472 -15.439 -25.344 14.703 1.00 4.25 C ATOM 1113 O LEU A 472 -15.857 -25.073 15.836 1.00 2.02 O ATOM 1114 CB LEU A 472 -12.988 -24.988 14.002 1.00 10.52 C ATOM 1115 CG LEU A 472 -12.580 -23.787 14.911 1.00 0.45 C ATOM 1116 CD1 LEU A 472 -11.331 -23.126 14.356 1.00 4.20 C ATOM 1117 CD2 LEU A 472 -13.681 -22.734 14.988 1.00 1.40 C ATOM 0 H LEU A 472 -13.738 -26.936 12.661 1.00 10.34 H new ATOM 0 HA LEU A 472 -13.730 -26.359 15.483 1.00 41.33 H new ATOM 0 HB2 LEU A 472 -12.084 -25.557 13.784 1.00 10.52 H new ATOM 0 HB3 LEU A 472 -13.342 -24.578 13.056 1.00 10.52 H new ATOM 0 HG LEU A 472 -12.401 -24.183 15.910 1.00 0.45 H new ATOM 0 HD11 LEU A 472 -11.049 -22.288 14.993 1.00 4.20 H new ATOM 0 HD12 LEU A 472 -10.517 -23.851 14.329 1.00 4.20 H new ATOM 0 HD13 LEU A 472 -11.529 -22.764 13.347 1.00 4.20 H new ATOM 0 HD21 LEU A 472 -13.357 -21.915 15.630 1.00 1.40 H new ATOM 0 HD22 LEU A 472 -13.889 -22.351 13.989 1.00 1.40 H new ATOM 0 HD23 LEU A 472 -14.585 -23.182 15.400 1.00 1.40 H new ATOM 1129 N PHE A 473 -16.125 -25.126 13.598 1.00 41.21 N ATOM 1130 CA PHE A 473 -17.473 -24.606 13.577 1.00 61.32 C ATOM 1131 C PHE A 473 -17.961 -24.635 12.144 1.00 31.53 C ATOM 1132 O PHE A 473 -17.873 -23.649 11.409 1.00 3.45 O ATOM 1133 CB PHE A 473 -17.578 -23.180 14.182 1.00 51.42 C ATOM 1134 CG PHE A 473 -18.990 -22.663 14.297 1.00 64.44 C ATOM 1135 CD1 PHE A 473 -19.466 -21.686 13.436 1.00 31.03 C ATOM 1136 CD2 PHE A 473 -19.843 -23.162 15.269 1.00 23.25 C ATOM 1137 CE1 PHE A 473 -20.762 -21.220 13.544 1.00 13.22 C ATOM 1138 CE2 PHE A 473 -21.138 -22.700 15.381 1.00 24.22 C ATOM 1139 CZ PHE A 473 -21.599 -21.728 14.516 1.00 33.20 C ATOM 0 H PHE A 473 -15.749 -25.311 12.668 1.00 41.21 H new ATOM 0 HA PHE A 473 -18.104 -25.233 14.207 1.00 61.32 H new ATOM 0 HB2 PHE A 473 -17.121 -23.182 15.172 1.00 51.42 H new ATOM 0 HB3 PHE A 473 -16.999 -22.492 13.566 1.00 51.42 H new ATOM 0 HD1 PHE A 473 -18.816 -21.285 12.672 1.00 31.03 H new ATOM 0 HD2 PHE A 473 -19.489 -23.923 15.948 1.00 23.25 H new ATOM 0 HE1 PHE A 473 -21.120 -20.458 12.868 1.00 13.22 H new ATOM 0 HE2 PHE A 473 -21.790 -23.098 16.144 1.00 24.22 H new ATOM 0 HZ PHE A 473 -22.613 -21.366 14.600 1.00 33.20 H new ATOM 1149 N TRP A 474 -18.397 -25.790 11.732 1.00 34.44 N ATOM 1150 CA TRP A 474 -18.832 -25.995 10.373 1.00 60.14 C ATOM 1151 C TRP A 474 -20.090 -26.831 10.354 1.00 21.42 C ATOM 1152 O TRP A 474 -21.108 -26.406 9.809 1.00 21.54 O ATOM 1153 CB TRP A 474 -17.700 -26.659 9.578 1.00 71.44 C ATOM 1154 CG TRP A 474 -18.005 -26.931 8.141 1.00 51.30 C ATOM 1155 CD1 TRP A 474 -18.172 -26.009 7.160 1.00 73.32 C ATOM 1156 CD2 TRP A 474 -18.141 -28.212 7.517 1.00 34.15 C ATOM 1157 NE1 TRP A 474 -18.424 -26.632 5.965 1.00 63.01 N ATOM 1158 CE2 TRP A 474 -18.406 -27.987 6.156 1.00 64.03 C ATOM 1159 CE3 TRP A 474 -18.070 -29.527 7.979 1.00 23.31 C ATOM 1160 CZ2 TRP A 474 -18.599 -29.027 5.257 1.00 12.41 C ATOM 1161 CZ3 TRP A 474 -18.260 -30.556 7.081 1.00 33.20 C ATOM 1162 CH2 TRP A 474 -18.522 -30.300 5.736 1.00 4.22 C ATOM 0 H TRP A 474 -18.463 -26.618 12.324 1.00 34.44 H new ATOM 0 HA TRP A 474 -19.066 -25.038 9.906 1.00 60.14 H new ATOM 0 HB2 TRP A 474 -16.818 -26.021 9.631 1.00 71.44 H new ATOM 0 HB3 TRP A 474 -17.442 -27.601 10.062 1.00 71.44 H new ATOM 0 HD1 TRP A 474 -18.115 -24.940 7.300 1.00 73.32 H new ATOM 0 HE1 TRP A 474 -18.597 -26.161 5.077 1.00 63.01 H new ATOM 0 HE3 TRP A 474 -17.870 -29.735 9.020 1.00 23.31 H new ATOM 0 HZ2 TRP A 474 -18.803 -28.834 4.214 1.00 12.41 H new ATOM 0 HZ3 TRP A 474 -18.205 -31.578 7.426 1.00 33.20 H new ATOM 0 HH2 TRP A 474 -18.667 -31.129 5.059 1.00 4.22 H new ATOM 1173 N SER A 475 -20.014 -27.999 10.994 1.00 3.33 N ATOM 1174 CA SER A 475 -21.124 -28.933 11.096 1.00 4.05 C ATOM 1175 C SER A 475 -21.555 -29.423 9.708 1.00 53.32 C ATOM 1176 O SER A 475 -22.461 -28.825 9.094 1.00 35.72 O ATOM 1177 CB SER A 475 -22.293 -28.295 11.861 1.00 3.44 C ATOM 1178 OG SER A 475 -21.836 -27.805 13.122 1.00 72.14 O ATOM 1179 OXT SER A 475 -20.966 -30.395 9.219 1.00 35.72 O ATOM 0 H SER A 475 -19.166 -28.322 11.460 1.00 3.33 H new ATOM 0 HA SER A 475 -20.794 -29.806 11.660 1.00 4.05 H new ATOM 0 HB2 SER A 475 -22.720 -27.480 11.277 1.00 3.44 H new ATOM 0 HB3 SER A 475 -23.085 -29.029 12.011 1.00 3.44 H new ATOM 0 HG SER A 475 -22.585 -27.397 13.605 1.00 72.14 H new TER 1185 SER A 475