USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 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 Set 1.1: A 422 MET CE :methyl -157:sc= 0 (180deg=-0.378) USER MOD Set 1.2: A 433 GLN : amide:sc= -0.937 K(o=-0.94,f=0) USER MOD Single : A 404 SER OG : rot -51:sc= 1.25 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc= -0.632 K(o=-0.63,f=0) USER MOD Single : A 419 SER OG : rot 91:sc= 0.0341 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 429 THR OG1 : rot -38:sc= -2.1! USER MOD Single : A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 437 MET CE :methyl 164:sc= -0.135 (180deg=-0.618) USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-9.3e-05) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.8!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 64:sc= 0.683 USER MOD Single : A 463 GLN : amide:sc= -0.0637 X(o=-0.064,f=0.21) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc=-0.00774 X(o=-0.0077,f=0.2) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 CYS SG : rot 78:sc= 1.26 USER MOD Single : A 475 SER OG : rot -98:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 403 -11.717 -0.875 3.091 1.00 72.11 N ATOM 2 CA GLY A 403 -12.778 0.000 3.608 1.00 43.32 C ATOM 3 C GLY A 403 -12.232 1.119 4.475 1.00 30.21 C ATOM 4 O GLY A 403 -12.547 2.286 4.262 1.00 23.02 O ATOM 0 HA2 GLY A 403 -13.332 0.428 2.772 1.00 43.32 H new ATOM 0 HA3 GLY A 403 -13.485 -0.594 4.188 1.00 43.32 H new ATOM 10 N SER A 404 -11.379 0.781 5.420 1.00 34.20 N ATOM 11 CA SER A 404 -10.844 1.755 6.355 1.00 65.41 C ATOM 12 C SER A 404 -9.744 2.645 5.762 1.00 74.43 C ATOM 13 O SER A 404 -9.145 3.438 6.468 1.00 21.44 O ATOM 14 CB SER A 404 -10.379 1.062 7.623 1.00 33.45 C ATOM 15 OG SER A 404 -11.478 0.409 8.245 1.00 71.03 O ATOM 0 H SER A 404 -11.038 -0.169 5.563 1.00 34.20 H new ATOM 0 HA SER A 404 -11.660 2.436 6.598 1.00 65.41 H new ATOM 0 HB2 SER A 404 -9.599 0.337 7.388 1.00 33.45 H new ATOM 0 HB3 SER A 404 -9.942 1.790 8.307 1.00 33.45 H new ATOM 0 HG SER A 404 -12.220 1.041 8.346 1.00 71.03 H new ATOM 21 N LYS A 405 -9.484 2.515 4.487 1.00 24.33 N ATOM 22 CA LYS A 405 -8.549 3.397 3.827 1.00 15.45 C ATOM 23 C LYS A 405 -9.231 4.731 3.530 1.00 51.02 C ATOM 24 O LYS A 405 -8.647 5.793 3.692 1.00 51.43 O ATOM 25 CB LYS A 405 -8.037 2.761 2.532 1.00 11.41 C ATOM 26 CG LYS A 405 -7.072 3.623 1.735 1.00 25.12 C ATOM 27 CD LYS A 405 -6.676 2.934 0.445 1.00 22.13 C ATOM 28 CE LYS A 405 -5.741 3.791 -0.381 1.00 45.30 C ATOM 29 NZ LYS A 405 -5.331 3.112 -1.626 1.00 42.32 N ATOM 0 H LYS A 405 -9.904 1.809 3.883 1.00 24.33 H new ATOM 0 HA LYS A 405 -7.696 3.568 4.483 1.00 15.45 H new ATOM 0 HB2 LYS A 405 -7.544 1.820 2.776 1.00 11.41 H new ATOM 0 HB3 LYS A 405 -8.892 2.519 1.900 1.00 11.41 H new ATOM 0 HG2 LYS A 405 -7.535 4.584 1.512 1.00 25.12 H new ATOM 0 HG3 LYS A 405 -6.183 3.828 2.331 1.00 25.12 H new ATOM 0 HD2 LYS A 405 -6.193 1.984 0.673 1.00 22.13 H new ATOM 0 HD3 LYS A 405 -7.570 2.706 -0.136 1.00 22.13 H new ATOM 0 HE2 LYS A 405 -6.232 4.733 -0.625 1.00 45.30 H new ATOM 0 HE3 LYS A 405 -4.857 4.036 0.208 1.00 45.30 H new ATOM 0 HZ1 LYS A 405 -4.691 3.731 -2.164 1.00 42.32 H new ATOM 0 HZ2 LYS A 405 -4.840 2.225 -1.392 1.00 42.32 H new ATOM 0 HZ3 LYS A 405 -6.172 2.901 -2.200 1.00 42.32 H new ATOM 43 N ILE A 406 -10.487 4.660 3.131 1.00 64.33 N ATOM 44 CA ILE A 406 -11.230 5.850 2.726 1.00 0.42 C ATOM 45 C ILE A 406 -11.991 6.483 3.917 1.00 5.43 C ATOM 46 O ILE A 406 -12.349 7.662 3.886 1.00 51.33 O ATOM 47 CB ILE A 406 -12.215 5.513 1.560 1.00 72.24 C ATOM 48 CG1 ILE A 406 -12.938 6.776 1.053 1.00 51.12 C ATOM 49 CG2 ILE A 406 -13.221 4.449 1.994 1.00 3.41 C ATOM 50 CD1 ILE A 406 -13.878 6.528 -0.109 1.00 15.04 C ATOM 0 H ILE A 406 -11.019 3.792 3.077 1.00 64.33 H new ATOM 0 HA ILE A 406 -10.507 6.584 2.371 1.00 0.42 H new ATOM 0 HB ILE A 406 -11.628 5.114 0.733 1.00 72.24 H new ATOM 0 HG12 ILE A 406 -13.503 7.213 1.876 1.00 51.12 H new ATOM 0 HG13 ILE A 406 -12.192 7.512 0.752 1.00 51.12 H new ATOM 0 HG21 ILE A 406 -13.897 4.229 1.168 1.00 3.41 H new ATOM 0 HG22 ILE A 406 -12.690 3.541 2.280 1.00 3.41 H new ATOM 0 HG23 ILE A 406 -13.795 4.816 2.845 1.00 3.41 H new ATOM 0 HD11 ILE A 406 -14.346 7.467 -0.405 1.00 15.04 H new ATOM 0 HD12 ILE A 406 -13.317 6.121 -0.950 1.00 15.04 H new ATOM 0 HD13 ILE A 406 -14.648 5.817 0.191 1.00 15.04 H new ATOM 62 N GLU A 407 -12.195 5.709 4.972 1.00 31.13 N ATOM 63 CA GLU A 407 -12.974 6.169 6.127 1.00 74.22 C ATOM 64 C GLU A 407 -12.344 7.404 6.830 1.00 64.24 C ATOM 65 O GLU A 407 -13.036 8.401 7.045 1.00 34.23 O ATOM 66 CB GLU A 407 -13.274 5.027 7.119 1.00 50.41 C ATOM 67 CG GLU A 407 -14.048 3.874 6.495 1.00 53.13 C ATOM 68 CD GLU A 407 -14.440 2.804 7.489 1.00 55.35 C ATOM 69 OE1 GLU A 407 -13.619 1.911 7.803 1.00 21.01 O ATOM 70 OE2 GLU A 407 -15.598 2.824 7.957 1.00 45.13 O ATOM 0 H GLU A 407 -11.835 4.759 5.059 1.00 31.13 H new ATOM 0 HA GLU A 407 -13.932 6.504 5.729 1.00 74.22 H new ATOM 0 HB2 GLU A 407 -12.334 4.649 7.522 1.00 50.41 H new ATOM 0 HB3 GLU A 407 -13.843 5.425 7.959 1.00 50.41 H new ATOM 0 HG2 GLU A 407 -14.948 4.265 6.020 1.00 53.13 H new ATOM 0 HG3 GLU A 407 -13.443 3.424 5.708 1.00 53.13 H new ATOM 77 N PRO A 408 -11.026 7.375 7.187 1.00 52.32 N ATOM 78 CA PRO A 408 -10.353 8.525 7.819 1.00 74.12 C ATOM 79 C PRO A 408 -10.232 9.746 6.886 1.00 73.30 C ATOM 80 O PRO A 408 -9.891 10.835 7.328 1.00 4.41 O ATOM 81 CB PRO A 408 -8.960 7.985 8.155 1.00 30.14 C ATOM 82 CG PRO A 408 -8.768 6.859 7.207 1.00 65.24 C ATOM 83 CD PRO A 408 -10.105 6.230 7.070 1.00 54.52 C ATOM 0 HA PRO A 408 -10.916 8.885 8.680 1.00 74.12 H new ATOM 0 HB2 PRO A 408 -8.194 8.750 8.025 1.00 30.14 H new ATOM 0 HB3 PRO A 408 -8.902 7.648 9.190 1.00 30.14 H new ATOM 0 HG2 PRO A 408 -8.400 7.214 6.244 1.00 65.24 H new ATOM 0 HG3 PRO A 408 -8.035 6.147 7.586 1.00 65.24 H new ATOM 0 HD2 PRO A 408 -10.215 5.720 6.113 1.00 54.52 H new ATOM 0 HD3 PRO A 408 -10.283 5.488 7.848 1.00 54.52 H new ATOM 91 N VAL A 409 -10.516 9.556 5.609 1.00 44.52 N ATOM 92 CA VAL A 409 -10.418 10.640 4.630 1.00 65.15 C ATOM 93 C VAL A 409 -11.644 11.552 4.736 1.00 63.43 C ATOM 94 O VAL A 409 -11.584 12.739 4.432 1.00 3.55 O ATOM 95 CB VAL A 409 -10.296 10.082 3.177 1.00 64.22 C ATOM 96 CG1 VAL A 409 -10.124 11.202 2.152 1.00 43.31 C ATOM 97 CG2 VAL A 409 -9.146 9.097 3.075 1.00 62.41 C ATOM 0 H VAL A 409 -10.817 8.663 5.220 1.00 44.52 H new ATOM 0 HA VAL A 409 -9.517 11.213 4.850 1.00 65.15 H new ATOM 0 HB VAL A 409 -11.227 9.563 2.951 1.00 64.22 H new ATOM 0 HG11 VAL A 409 -10.043 10.772 1.154 1.00 43.31 H new ATOM 0 HG12 VAL A 409 -10.987 11.867 2.192 1.00 43.31 H new ATOM 0 HG13 VAL A 409 -9.220 11.767 2.379 1.00 43.31 H new ATOM 0 HG21 VAL A 409 -9.079 8.720 2.054 1.00 62.41 H new ATOM 0 HG22 VAL A 409 -8.214 9.597 3.339 1.00 62.41 H new ATOM 0 HG23 VAL A 409 -9.318 8.265 3.758 1.00 62.41 H new ATOM 107 N VAL A 410 -12.734 10.990 5.219 1.00 15.41 N ATOM 108 CA VAL A 410 -13.995 11.710 5.341 1.00 2.34 C ATOM 109 C VAL A 410 -13.900 12.851 6.360 1.00 75.20 C ATOM 110 O VAL A 410 -14.406 13.948 6.114 1.00 75.23 O ATOM 111 CB VAL A 410 -15.152 10.751 5.731 1.00 23.12 C ATOM 112 CG1 VAL A 410 -16.458 11.510 5.903 1.00 74.34 C ATOM 113 CG2 VAL A 410 -15.310 9.658 4.685 1.00 50.23 C ATOM 0 H VAL A 410 -12.775 10.022 5.539 1.00 15.41 H new ATOM 0 HA VAL A 410 -14.209 12.142 4.363 1.00 2.34 H new ATOM 0 HB VAL A 410 -14.900 10.290 6.686 1.00 23.12 H new ATOM 0 HG11 VAL A 410 -17.251 10.813 6.176 1.00 74.34 H new ATOM 0 HG12 VAL A 410 -16.344 12.256 6.689 1.00 74.34 H new ATOM 0 HG13 VAL A 410 -16.717 12.005 4.967 1.00 74.34 H new ATOM 0 HG21 VAL A 410 -16.125 8.994 4.973 1.00 50.23 H new ATOM 0 HG22 VAL A 410 -15.534 10.109 3.718 1.00 50.23 H new ATOM 0 HG23 VAL A 410 -14.385 9.087 4.613 1.00 50.23 H new ATOM 123 N LEU A 411 -13.224 12.593 7.472 1.00 71.51 N ATOM 124 CA LEU A 411 -13.105 13.571 8.566 1.00 61.34 C ATOM 125 C LEU A 411 -12.575 14.940 8.123 1.00 14.04 C ATOM 126 O LEU A 411 -13.269 15.950 8.313 1.00 64.32 O ATOM 127 CB LEU A 411 -12.306 13.039 9.770 1.00 35.34 C ATOM 128 CG LEU A 411 -12.958 11.935 10.624 1.00 20.51 C ATOM 129 CD1 LEU A 411 -13.135 10.633 9.857 1.00 41.02 C ATOM 130 CD2 LEU A 411 -12.158 11.715 11.886 1.00 44.12 C ATOM 0 H LEU A 411 -12.744 11.711 7.649 1.00 71.51 H new ATOM 0 HA LEU A 411 -14.133 13.724 8.894 1.00 61.34 H new ATOM 0 HB2 LEU A 411 -11.353 12.660 9.400 1.00 35.34 H new ATOM 0 HB3 LEU A 411 -12.082 13.882 10.424 1.00 35.34 H new ATOM 0 HG LEU A 411 -13.959 12.276 10.891 1.00 20.51 H new ATOM 0 HD11 LEU A 411 -13.599 9.889 10.505 1.00 41.02 H new ATOM 0 HD12 LEU A 411 -13.772 10.806 8.989 1.00 41.02 H new ATOM 0 HD13 LEU A 411 -12.162 10.270 9.526 1.00 41.02 H new ATOM 0 HD21 LEU A 411 -12.627 10.933 12.483 1.00 44.12 H new ATOM 0 HD22 LEU A 411 -11.143 11.413 11.626 1.00 44.12 H new ATOM 0 HD23 LEU A 411 -12.125 12.640 12.462 1.00 44.12 H new ATOM 142 N PRO A 412 -11.345 15.022 7.526 1.00 11.02 N ATOM 143 CA PRO A 412 -10.810 16.291 7.071 1.00 51.44 C ATOM 144 C PRO A 412 -11.726 16.955 6.046 1.00 11.42 C ATOM 145 O PRO A 412 -12.000 18.142 6.138 1.00 71.23 O ATOM 146 CB PRO A 412 -9.456 15.939 6.431 1.00 15.43 C ATOM 147 CG PRO A 412 -9.491 14.466 6.227 1.00 61.01 C ATOM 148 CD PRO A 412 -10.391 13.923 7.288 1.00 2.32 C ATOM 0 HA PRO A 412 -10.716 17.001 7.893 1.00 51.44 H new ATOM 0 HB2 PRO A 412 -9.319 16.464 5.486 1.00 15.43 H new ATOM 0 HB3 PRO A 412 -8.628 16.227 7.078 1.00 15.43 H new ATOM 0 HG2 PRO A 412 -9.866 14.219 5.234 1.00 61.01 H new ATOM 0 HG3 PRO A 412 -8.492 14.038 6.306 1.00 61.01 H new ATOM 0 HD2 PRO A 412 -10.898 13.016 6.959 1.00 2.32 H new ATOM 0 HD3 PRO A 412 -9.838 13.669 8.192 1.00 2.32 H new ATOM 156 N LEU A 413 -12.227 16.163 5.096 1.00 22.54 N ATOM 157 CA LEU A 413 -13.097 16.669 4.039 1.00 3.31 C ATOM 158 C LEU A 413 -14.330 17.333 4.609 1.00 53.03 C ATOM 159 O LEU A 413 -14.715 18.421 4.181 1.00 31.40 O ATOM 160 CB LEU A 413 -13.502 15.559 3.103 1.00 72.10 C ATOM 161 CG LEU A 413 -12.373 14.892 2.324 1.00 74.31 C ATOM 162 CD1 LEU A 413 -12.935 13.832 1.423 1.00 2.44 C ATOM 163 CD2 LEU A 413 -11.587 15.917 1.510 1.00 32.11 C ATOM 0 H LEU A 413 -12.042 15.162 5.040 1.00 22.54 H new ATOM 0 HA LEU A 413 -12.531 17.416 3.482 1.00 3.31 H new ATOM 0 HB2 LEU A 413 -14.018 14.793 3.682 1.00 72.10 H new ATOM 0 HB3 LEU A 413 -14.222 15.958 2.389 1.00 72.10 H new ATOM 0 HG LEU A 413 -11.687 14.432 3.036 1.00 74.31 H new ATOM 0 HD11 LEU A 413 -12.125 13.359 0.869 1.00 2.44 H new ATOM 0 HD12 LEU A 413 -13.452 13.082 2.022 1.00 2.44 H new ATOM 0 HD13 LEU A 413 -13.637 14.284 0.723 1.00 2.44 H new ATOM 0 HD21 LEU A 413 -10.789 15.414 0.965 1.00 32.11 H new ATOM 0 HD22 LEU A 413 -12.255 16.409 0.803 1.00 32.11 H new ATOM 0 HD23 LEU A 413 -11.156 16.661 2.180 1.00 32.11 H new ATOM 175 N LEU A 414 -14.928 16.683 5.589 1.00 24.22 N ATOM 176 CA LEU A 414 -16.096 17.199 6.276 1.00 53.32 C ATOM 177 C LEU A 414 -15.768 18.524 6.937 1.00 72.42 C ATOM 178 O LEU A 414 -16.492 19.517 6.778 1.00 35.40 O ATOM 179 CB LEU A 414 -16.599 16.141 7.300 1.00 22.21 C ATOM 180 CG LEU A 414 -17.789 16.517 8.200 1.00 4.33 C ATOM 181 CD1 LEU A 414 -18.453 15.261 8.728 1.00 71.43 C ATOM 182 CD2 LEU A 414 -17.347 17.360 9.403 1.00 21.10 C ATOM 0 H LEU A 414 -14.614 15.775 5.933 1.00 24.22 H new ATOM 0 HA LEU A 414 -16.899 17.385 5.563 1.00 53.32 H new ATOM 0 HB2 LEU A 414 -16.870 15.242 6.746 1.00 22.21 H new ATOM 0 HB3 LEU A 414 -15.762 15.877 7.946 1.00 22.21 H new ATOM 0 HG LEU A 414 -18.482 17.099 7.592 1.00 4.33 H new ATOM 0 HD11 LEU A 414 -19.295 15.534 9.364 1.00 71.43 H new ATOM 0 HD12 LEU A 414 -18.810 14.660 7.892 1.00 71.43 H new ATOM 0 HD13 LEU A 414 -17.732 14.684 9.308 1.00 71.43 H new ATOM 0 HD21 LEU A 414 -18.216 17.605 10.014 1.00 21.10 H new ATOM 0 HD22 LEU A 414 -16.631 16.795 10.000 1.00 21.10 H new ATOM 0 HD23 LEU A 414 -16.880 18.280 9.051 1.00 21.10 H new ATOM 194 N TRP A 415 -14.691 18.524 7.666 1.00 0.20 N ATOM 195 CA TRP A 415 -14.208 19.700 8.367 1.00 1.31 C ATOM 196 C TRP A 415 -13.914 20.858 7.390 1.00 62.22 C ATOM 197 O TRP A 415 -14.247 22.006 7.674 1.00 72.04 O ATOM 198 CB TRP A 415 -12.965 19.356 9.207 1.00 11.22 C ATOM 199 CG TRP A 415 -12.491 20.486 10.071 1.00 75.01 C ATOM 200 CD1 TRP A 415 -12.972 20.825 11.297 1.00 72.44 C ATOM 201 CD2 TRP A 415 -11.443 21.421 9.781 1.00 32.11 C ATOM 202 NE1 TRP A 415 -12.299 21.911 11.780 1.00 73.45 N ATOM 203 CE2 TRP A 415 -11.357 22.296 10.877 1.00 33.33 C ATOM 204 CE3 TRP A 415 -10.575 21.604 8.706 1.00 34.31 C ATOM 205 CZ2 TRP A 415 -10.438 23.335 10.930 1.00 62.14 C ATOM 206 CZ3 TRP A 415 -9.664 22.637 8.761 1.00 10.33 C ATOM 207 CH2 TRP A 415 -9.601 23.491 9.864 1.00 13.32 C ATOM 0 H TRP A 415 -14.107 17.699 7.799 1.00 0.20 H new ATOM 0 HA TRP A 415 -14.996 20.035 9.042 1.00 1.31 H new ATOM 0 HB2 TRP A 415 -13.191 18.497 9.839 1.00 11.22 H new ATOM 0 HB3 TRP A 415 -12.157 19.057 8.539 1.00 11.22 H new ATOM 0 HD1 TRP A 415 -13.769 20.311 11.813 1.00 72.44 H new ATOM 0 HE1 TRP A 415 -12.475 22.363 12.677 1.00 73.45 H new ATOM 0 HE3 TRP A 415 -10.615 20.950 7.848 1.00 34.31 H new ATOM 0 HZ2 TRP A 415 -10.387 23.995 11.783 1.00 62.14 H new ATOM 0 HZ3 TRP A 415 -8.985 22.789 7.935 1.00 10.33 H new ATOM 0 HH2 TRP A 415 -8.875 24.291 9.873 1.00 13.32 H new ATOM 218 N PHE A 416 -13.319 20.558 6.237 1.00 62.25 N ATOM 219 CA PHE A 416 -13.032 21.605 5.248 1.00 35.02 C ATOM 220 C PHE A 416 -14.293 22.091 4.556 1.00 3.31 C ATOM 221 O PHE A 416 -14.372 23.242 4.128 1.00 1.40 O ATOM 222 CB PHE A 416 -11.978 21.186 4.198 1.00 73.31 C ATOM 223 CG PHE A 416 -10.564 21.046 4.712 1.00 34.41 C ATOM 224 CD1 PHE A 416 -9.835 22.167 5.062 1.00 5.25 C ATOM 225 CD2 PHE A 416 -9.960 19.809 4.814 1.00 24.25 C ATOM 226 CE1 PHE A 416 -8.533 22.057 5.511 1.00 24.13 C ATOM 227 CE2 PHE A 416 -8.660 19.689 5.263 1.00 25.42 C ATOM 228 CZ PHE A 416 -7.945 20.816 5.612 1.00 32.44 C ATOM 0 H PHE A 416 -13.029 19.619 5.964 1.00 62.25 H new ATOM 0 HA PHE A 416 -12.605 22.428 5.821 1.00 35.02 H new ATOM 0 HB2 PHE A 416 -12.283 20.234 3.763 1.00 73.31 H new ATOM 0 HB3 PHE A 416 -11.982 21.921 3.393 1.00 73.31 H new ATOM 0 HD1 PHE A 416 -10.290 23.143 4.983 1.00 5.25 H new ATOM 0 HD2 PHE A 416 -10.512 18.923 4.539 1.00 24.25 H new ATOM 0 HE1 PHE A 416 -7.978 22.943 5.782 1.00 24.13 H new ATOM 0 HE2 PHE A 416 -8.203 18.714 5.341 1.00 25.42 H new ATOM 0 HZ PHE A 416 -6.928 20.725 5.963 1.00 32.44 H new ATOM 238 N GLU A 417 -15.291 21.226 4.469 1.00 23.21 N ATOM 239 CA GLU A 417 -16.535 21.554 3.796 1.00 4.20 C ATOM 240 C GLU A 417 -17.213 22.678 4.561 1.00 34.25 C ATOM 241 O GLU A 417 -17.844 23.537 3.974 1.00 42.45 O ATOM 242 CB GLU A 417 -17.438 20.309 3.737 1.00 34.03 C ATOM 243 CG GLU A 417 -18.588 20.336 2.700 1.00 20.45 C ATOM 244 CD GLU A 417 -19.640 21.397 2.926 1.00 3.14 C ATOM 245 OE1 GLU A 417 -19.657 22.421 2.183 1.00 74.12 O ATOM 246 OE2 GLU A 417 -20.462 21.232 3.844 1.00 44.13 O ATOM 0 H GLU A 417 -15.261 20.284 4.860 1.00 23.21 H new ATOM 0 HA GLU A 417 -16.341 21.879 2.774 1.00 4.20 H new ATOM 0 HB2 GLU A 417 -16.811 19.443 3.528 1.00 34.03 H new ATOM 0 HB3 GLU A 417 -17.873 20.156 4.725 1.00 34.03 H new ATOM 0 HG2 GLU A 417 -18.158 20.481 1.709 1.00 20.45 H new ATOM 0 HG3 GLU A 417 -19.075 19.361 2.697 1.00 20.45 H new ATOM 253 N GLN A 418 -16.989 22.702 5.877 1.00 24.14 N ATOM 254 CA GLN A 418 -17.602 23.678 6.791 1.00 74.43 C ATOM 255 C GLN A 418 -17.270 25.135 6.413 1.00 54.14 C ATOM 256 O GLN A 418 -17.897 26.069 6.897 1.00 71.41 O ATOM 257 CB GLN A 418 -17.187 23.403 8.235 1.00 21.55 C ATOM 258 CG GLN A 418 -17.471 21.990 8.695 1.00 5.33 C ATOM 259 CD GLN A 418 -17.142 21.748 10.155 1.00 44.34 C ATOM 260 OE1 GLN A 418 -17.765 20.914 10.804 1.00 43.14 O ATOM 261 NE2 GLN A 418 -16.177 22.465 10.690 1.00 2.04 N ATOM 0 H GLN A 418 -16.371 22.039 6.346 1.00 24.14 H new ATOM 0 HA GLN A 418 -18.681 23.557 6.697 1.00 74.43 H new ATOM 0 HB2 GLN A 418 -16.120 23.602 8.340 1.00 21.55 H new ATOM 0 HB3 GLN A 418 -17.708 24.100 8.892 1.00 21.55 H new ATOM 0 HG2 GLN A 418 -18.525 21.767 8.527 1.00 5.33 H new ATOM 0 HG3 GLN A 418 -16.897 21.295 8.082 1.00 5.33 H new ATOM 0 HE21 GLN A 418 -15.677 23.151 10.124 1.00 2.04 H new ATOM 0 HE22 GLN A 418 -15.929 22.335 11.671 1.00 2.04 H new ATOM 270 N SER A 419 -16.279 25.314 5.551 1.00 11.14 N ATOM 271 CA SER A 419 -15.903 26.623 5.042 1.00 14.10 C ATOM 272 C SER A 419 -16.941 27.131 4.017 1.00 2.01 C ATOM 273 O SER A 419 -16.897 28.280 3.589 1.00 44.02 O ATOM 274 CB SER A 419 -14.527 26.546 4.383 1.00 40.34 C ATOM 275 OG SER A 419 -13.556 26.048 5.292 1.00 12.32 O ATOM 0 H SER A 419 -15.711 24.550 5.184 1.00 11.14 H new ATOM 0 HA SER A 419 -15.870 27.321 5.878 1.00 14.10 H new ATOM 0 HB2 SER A 419 -14.575 25.900 3.506 1.00 40.34 H new ATOM 0 HB3 SER A 419 -14.231 27.535 4.034 1.00 40.34 H new ATOM 0 HG SER A 419 -13.499 25.073 5.208 1.00 12.32 H new ATOM 281 N GLY A 420 -17.867 26.258 3.642 1.00 75.32 N ATOM 282 CA GLY A 420 -18.783 26.547 2.576 1.00 34.23 C ATOM 283 C GLY A 420 -18.121 26.199 1.279 1.00 22.13 C ATOM 284 O GLY A 420 -18.355 26.819 0.243 1.00 23.33 O ATOM 0 H GLY A 420 -17.994 25.341 4.071 1.00 75.32 H new ATOM 0 HA2 GLY A 420 -19.702 25.974 2.699 1.00 34.23 H new ATOM 0 HA3 GLY A 420 -19.061 27.601 2.590 1.00 34.23 H new ATOM 288 N ALA A 421 -17.276 25.188 1.361 1.00 13.54 N ATOM 289 CA ALA A 421 -16.483 24.727 0.246 1.00 33.41 C ATOM 290 C ALA A 421 -17.330 23.974 -0.763 1.00 41.50 C ATOM 291 O ALA A 421 -17.142 24.114 -1.970 1.00 11.40 O ATOM 292 CB ALA A 421 -15.332 23.871 0.748 1.00 34.25 C ATOM 0 H ALA A 421 -17.122 24.659 2.219 1.00 13.54 H new ATOM 0 HA ALA A 421 -16.072 25.596 -0.268 1.00 33.41 H new ATOM 0 HB1 ALA A 421 -14.738 23.527 -0.099 1.00 34.25 H new ATOM 0 HB2 ALA A 421 -14.704 24.461 1.416 1.00 34.25 H new ATOM 0 HB3 ALA A 421 -15.727 23.010 1.288 1.00 34.25 H new ATOM 298 N MET A 422 -18.256 23.165 -0.276 1.00 62.41 N ATOM 299 CA MET A 422 -19.138 22.437 -1.170 1.00 44.23 C ATOM 300 C MET A 422 -20.514 23.044 -1.133 1.00 35.21 C ATOM 301 O MET A 422 -21.418 22.612 -1.837 1.00 3.32 O ATOM 302 CB MET A 422 -19.190 20.947 -0.820 1.00 21.12 C ATOM 303 CG MET A 422 -17.838 20.268 -0.872 1.00 55.01 C ATOM 304 SD MET A 422 -17.066 20.365 -2.497 1.00 51.54 S ATOM 305 CE MET A 422 -15.491 19.602 -2.147 1.00 75.21 C ATOM 0 H MET A 422 -18.415 22.998 0.718 1.00 62.41 H new ATOM 0 HA MET A 422 -18.741 22.516 -2.182 1.00 44.23 H new ATOM 0 HB2 MET A 422 -19.608 20.831 0.180 1.00 21.12 H new ATOM 0 HB3 MET A 422 -19.868 20.443 -1.509 1.00 21.12 H new ATOM 0 HG2 MET A 422 -17.179 20.726 -0.134 1.00 55.01 H new ATOM 0 HG3 MET A 422 -17.952 19.221 -0.592 1.00 55.01 H new ATOM 0 HE1 MET A 422 -14.756 19.931 -2.882 1.00 75.21 H new ATOM 0 HE2 MET A 422 -15.160 19.891 -1.149 1.00 75.21 H new ATOM 0 HE3 MET A 422 -15.593 18.518 -2.196 1.00 75.21 H new ATOM 315 N GLY A 423 -20.663 24.046 -0.303 1.00 74.55 N ATOM 316 CA GLY A 423 -21.912 24.738 -0.189 1.00 20.33 C ATOM 317 C GLY A 423 -22.840 24.101 0.809 1.00 74.42 C ATOM 318 O GLY A 423 -24.050 24.345 0.778 1.00 73.32 O ATOM 0 H GLY A 423 -19.925 24.399 0.306 1.00 74.55 H new ATOM 0 HA2 GLY A 423 -21.725 25.771 0.103 1.00 20.33 H new ATOM 0 HA3 GLY A 423 -22.398 24.766 -1.164 1.00 20.33 H new ATOM 322 N GLY A 424 -22.290 23.293 1.694 1.00 4.44 N ATOM 323 CA GLY A 424 -23.098 22.641 2.693 1.00 41.54 C ATOM 324 C GLY A 424 -23.679 21.364 2.176 1.00 3.44 C ATOM 325 O GLY A 424 -24.888 21.113 2.286 1.00 33.34 O ATOM 0 H GLY A 424 -21.294 23.076 1.738 1.00 4.44 H new ATOM 0 HA2 GLY A 424 -22.493 22.436 3.576 1.00 41.54 H new ATOM 0 HA3 GLY A 424 -23.902 23.308 3.005 1.00 41.54 H new ATOM 329 N LYS A 425 -22.834 20.550 1.621 1.00 1.00 N ATOM 330 CA LYS A 425 -23.255 19.317 1.025 1.00 43.50 C ATOM 331 C LYS A 425 -22.574 18.125 1.689 1.00 62.10 C ATOM 332 O LYS A 425 -21.443 18.238 2.169 1.00 55.22 O ATOM 333 CB LYS A 425 -23.019 19.349 -0.478 1.00 11.50 C ATOM 334 CG LYS A 425 -23.849 20.410 -1.198 1.00 23.43 C ATOM 335 CD LYS A 425 -23.648 20.385 -2.702 1.00 43.04 C ATOM 336 CE LYS A 425 -24.120 19.076 -3.313 1.00 13.54 C ATOM 337 NZ LYS A 425 -23.951 19.067 -4.773 1.00 35.21 N ATOM 0 H LYS A 425 -21.830 20.722 1.568 1.00 1.00 H new ATOM 0 HA LYS A 425 -24.326 19.197 1.188 1.00 43.50 H new ATOM 0 HB2 LYS A 425 -21.962 19.534 -0.669 1.00 11.50 H new ATOM 0 HB3 LYS A 425 -23.252 18.370 -0.896 1.00 11.50 H new ATOM 0 HG2 LYS A 425 -24.904 20.255 -0.973 1.00 23.43 H new ATOM 0 HG3 LYS A 425 -23.583 21.396 -0.816 1.00 23.43 H new ATOM 0 HD2 LYS A 425 -24.191 21.214 -3.155 1.00 43.04 H new ATOM 0 HD3 LYS A 425 -22.592 20.533 -2.930 1.00 43.04 H new ATOM 0 HE2 LYS A 425 -23.561 18.248 -2.877 1.00 13.54 H new ATOM 0 HE3 LYS A 425 -25.170 18.917 -3.067 1.00 13.54 H new ATOM 0 HZ1 LYS A 425 -24.283 18.159 -5.155 1.00 35.21 H new ATOM 0 HZ2 LYS A 425 -24.504 19.842 -5.191 1.00 35.21 H new ATOM 0 HZ3 LYS A 425 -22.946 19.194 -5.007 1.00 35.21 H new ATOM 351 N PRO A 426 -23.265 16.979 1.742 1.00 70.13 N ATOM 352 CA PRO A 426 -22.780 15.785 2.431 1.00 31.13 C ATOM 353 C PRO A 426 -21.662 15.031 1.691 1.00 25.33 C ATOM 354 O PRO A 426 -21.119 15.494 0.672 1.00 74.34 O ATOM 355 CB PRO A 426 -24.031 14.914 2.522 1.00 71.12 C ATOM 356 CG PRO A 426 -24.813 15.279 1.316 1.00 22.34 C ATOM 357 CD PRO A 426 -24.593 16.748 1.129 1.00 42.24 C ATOM 0 HA PRO A 426 -22.326 16.046 3.387 1.00 31.13 H new ATOM 0 HB2 PRO A 426 -23.779 13.854 2.528 1.00 71.12 H new ATOM 0 HB3 PRO A 426 -24.591 15.114 3.436 1.00 71.12 H new ATOM 0 HG2 PRO A 426 -24.476 14.717 0.445 1.00 22.34 H new ATOM 0 HG3 PRO A 426 -25.871 15.054 1.451 1.00 22.34 H new ATOM 0 HD2 PRO A 426 -24.602 17.024 0.075 1.00 42.24 H new ATOM 0 HD3 PRO A 426 -25.369 17.336 1.619 1.00 42.24 H new ATOM 365 N LEU A 427 -21.370 13.839 2.205 1.00 53.50 N ATOM 366 CA LEU A 427 -20.293 12.979 1.734 1.00 43.00 C ATOM 367 C LEU A 427 -20.452 12.605 0.265 1.00 20.12 C ATOM 368 O LEU A 427 -19.459 12.365 -0.426 1.00 74.42 O ATOM 369 CB LEU A 427 -20.189 11.686 2.582 1.00 42.32 C ATOM 370 CG LEU A 427 -19.813 11.804 4.086 1.00 24.14 C ATOM 371 CD1 LEU A 427 -20.856 12.565 4.901 1.00 53.54 C ATOM 372 CD2 LEU A 427 -19.604 10.424 4.670 1.00 12.13 C ATOM 0 H LEU A 427 -21.892 13.435 2.983 1.00 53.50 H new ATOM 0 HA LEU A 427 -19.375 13.557 1.844 1.00 43.00 H new ATOM 0 HB2 LEU A 427 -21.149 11.174 2.521 1.00 42.32 H new ATOM 0 HB3 LEU A 427 -19.452 11.039 2.107 1.00 42.32 H new ATOM 0 HG LEU A 427 -18.889 12.379 4.142 1.00 24.14 H new ATOM 0 HD11 LEU A 427 -20.538 12.615 5.943 1.00 53.54 H new ATOM 0 HD12 LEU A 427 -20.961 13.575 4.505 1.00 53.54 H new ATOM 0 HD13 LEU A 427 -21.814 12.049 4.838 1.00 53.54 H new ATOM 0 HD21 LEU A 427 -19.341 10.511 5.724 1.00 12.13 H new ATOM 0 HD22 LEU A 427 -20.522 9.845 4.572 1.00 12.13 H new ATOM 0 HD23 LEU A 427 -18.799 9.921 4.135 1.00 12.13 H new ATOM 384 N SER A 428 -21.696 12.564 -0.203 1.00 22.50 N ATOM 385 CA SER A 428 -22.013 12.212 -1.582 1.00 21.33 C ATOM 386 C SER A 428 -21.239 13.089 -2.575 1.00 75.24 C ATOM 387 O SER A 428 -20.728 12.595 -3.584 1.00 45.23 O ATOM 388 CB SER A 428 -23.532 12.311 -1.830 1.00 40.54 C ATOM 389 OG SER A 428 -23.867 11.917 -3.154 1.00 3.02 O ATOM 0 H SER A 428 -22.515 12.775 0.367 1.00 22.50 H new ATOM 0 HA SER A 428 -21.703 11.180 -1.744 1.00 21.33 H new ATOM 0 HB2 SER A 428 -24.061 11.680 -1.116 1.00 40.54 H new ATOM 0 HB3 SER A 428 -23.865 13.335 -1.658 1.00 40.54 H new ATOM 0 HG SER A 428 -24.836 11.989 -3.281 1.00 3.02 H new ATOM 395 N THR A 429 -21.111 14.370 -2.267 1.00 52.43 N ATOM 396 CA THR A 429 -20.407 15.292 -3.131 1.00 41.32 C ATOM 397 C THR A 429 -18.924 14.908 -3.230 1.00 35.51 C ATOM 398 O THR A 429 -18.315 14.967 -4.312 1.00 22.21 O ATOM 399 CB THR A 429 -20.563 16.721 -2.596 1.00 41.00 C ATOM 400 OG1 THR A 429 -21.963 16.982 -2.446 1.00 13.52 O ATOM 401 CG2 THR A 429 -19.966 17.742 -3.561 1.00 74.14 C ATOM 0 H THR A 429 -21.489 14.792 -1.419 1.00 52.43 H new ATOM 0 HA THR A 429 -20.836 15.242 -4.132 1.00 41.32 H new ATOM 0 HB THR A 429 -20.037 16.808 -1.645 1.00 41.00 H new ATOM 0 HG1 THR A 429 -22.454 16.571 -3.188 1.00 13.52 H new ATOM 0 HG21 THR A 429 -20.092 18.745 -3.153 1.00 74.14 H new ATOM 0 HG22 THR A 429 -18.904 17.537 -3.697 1.00 74.14 H new ATOM 0 HG23 THR A 429 -20.475 17.674 -4.523 1.00 74.14 H new ATOM 409 N PHE A 430 -18.370 14.468 -2.114 1.00 62.41 N ATOM 410 CA PHE A 430 -16.992 14.051 -2.065 1.00 62.42 C ATOM 411 C PHE A 430 -16.779 12.776 -2.846 1.00 41.10 C ATOM 412 O PHE A 430 -15.815 12.667 -3.579 1.00 54.23 O ATOM 413 CB PHE A 430 -16.506 13.923 -0.631 1.00 44.51 C ATOM 414 CG PHE A 430 -16.520 15.233 0.074 1.00 24.51 C ATOM 415 CD1 PHE A 430 -17.614 15.623 0.816 1.00 33.34 C ATOM 416 CD2 PHE A 430 -15.444 16.088 -0.027 1.00 43.23 C ATOM 417 CE1 PHE A 430 -17.636 16.840 1.445 1.00 61.23 C ATOM 418 CE2 PHE A 430 -15.455 17.304 0.601 1.00 60.31 C ATOM 419 CZ PHE A 430 -16.549 17.684 1.338 1.00 52.44 C ATOM 0 H PHE A 430 -18.864 14.392 -1.225 1.00 62.41 H new ATOM 0 HA PHE A 430 -16.391 14.826 -2.541 1.00 62.42 H new ATOM 0 HB2 PHE A 430 -17.137 13.214 -0.095 1.00 44.51 H new ATOM 0 HB3 PHE A 430 -15.494 13.517 -0.624 1.00 44.51 H new ATOM 0 HD1 PHE A 430 -18.464 14.962 0.903 1.00 33.34 H new ATOM 0 HD2 PHE A 430 -14.582 15.795 -0.608 1.00 43.23 H new ATOM 0 HE1 PHE A 430 -18.499 17.137 2.022 1.00 61.23 H new ATOM 0 HE2 PHE A 430 -14.604 17.964 0.517 1.00 60.31 H new ATOM 0 HZ PHE A 430 -16.559 18.643 1.834 1.00 52.44 H new ATOM 429 N TYR A 431 -17.701 11.819 -2.712 1.00 43.21 N ATOM 430 CA TYR A 431 -17.613 10.584 -3.497 1.00 71.41 C ATOM 431 C TYR A 431 -17.707 10.899 -4.978 1.00 42.32 C ATOM 432 O TYR A 431 -16.960 10.350 -5.786 1.00 13.30 O ATOM 433 CB TYR A 431 -18.707 9.567 -3.134 1.00 3.45 C ATOM 434 CG TYR A 431 -18.607 8.965 -1.754 1.00 11.15 C ATOM 435 CD1 TYR A 431 -17.617 8.043 -1.451 1.00 72.04 C ATOM 436 CD2 TYR A 431 -19.521 9.288 -0.766 1.00 13.44 C ATOM 437 CE1 TYR A 431 -17.539 7.464 -0.202 1.00 72.24 C ATOM 438 CE2 TYR A 431 -19.448 8.719 0.486 1.00 41.54 C ATOM 439 CZ TYR A 431 -18.458 7.809 0.762 1.00 12.44 C ATOM 440 OH TYR A 431 -18.397 7.224 2.011 1.00 62.35 O ATOM 0 H TYR A 431 -18.501 11.872 -2.082 1.00 43.21 H new ATOM 0 HA TYR A 431 -16.649 10.135 -3.260 1.00 71.41 H new ATOM 0 HB2 TYR A 431 -19.677 10.055 -3.228 1.00 3.45 H new ATOM 0 HB3 TYR A 431 -18.684 8.759 -3.866 1.00 3.45 H new ATOM 0 HD1 TYR A 431 -16.894 7.773 -2.207 1.00 72.04 H new ATOM 0 HD2 TYR A 431 -20.305 9.999 -0.981 1.00 13.44 H new ATOM 0 HE1 TYR A 431 -16.763 6.746 0.018 1.00 72.24 H new ATOM 0 HE2 TYR A 431 -20.166 8.987 1.247 1.00 41.54 H new ATOM 0 HH TYR A 431 -19.117 7.578 2.574 1.00 62.35 H new ATOM 450 N THR A 432 -18.616 11.805 -5.314 1.00 65.24 N ATOM 451 CA THR A 432 -18.834 12.214 -6.682 1.00 2.25 C ATOM 452 C THR A 432 -17.537 12.738 -7.317 1.00 4.45 C ATOM 453 O THR A 432 -17.127 12.267 -8.393 1.00 74.14 O ATOM 454 CB THR A 432 -19.937 13.298 -6.771 1.00 32.23 C ATOM 455 OG1 THR A 432 -21.155 12.794 -6.202 1.00 54.24 O ATOM 456 CG2 THR A 432 -20.200 13.697 -8.215 1.00 71.21 C ATOM 0 H THR A 432 -19.220 12.274 -4.639 1.00 65.24 H new ATOM 0 HA THR A 432 -19.163 11.334 -7.235 1.00 2.25 H new ATOM 0 HB THR A 432 -19.594 14.174 -6.221 1.00 32.23 H new ATOM 0 HG1 THR A 432 -21.065 12.745 -5.227 1.00 54.24 H new ATOM 0 HG21 THR A 432 -20.979 14.459 -8.246 1.00 71.21 H new ATOM 0 HG22 THR A 432 -19.285 14.095 -8.655 1.00 71.21 H new ATOM 0 HG23 THR A 432 -20.525 12.824 -8.780 1.00 71.21 H new ATOM 464 N GLN A 433 -16.874 13.675 -6.647 1.00 24.30 N ATOM 465 CA GLN A 433 -15.648 14.225 -7.182 1.00 63.55 C ATOM 466 C GLN A 433 -14.497 13.225 -7.111 1.00 75.12 C ATOM 467 O GLN A 433 -13.632 13.235 -7.957 1.00 72.14 O ATOM 468 CB GLN A 433 -15.263 15.558 -6.537 1.00 42.22 C ATOM 469 CG GLN A 433 -14.999 15.502 -5.047 1.00 45.42 C ATOM 470 CD GLN A 433 -14.523 16.829 -4.493 1.00 11.21 C ATOM 471 OE1 GLN A 433 -13.768 16.877 -3.528 1.00 2.25 O ATOM 472 NE2 GLN A 433 -14.957 17.913 -5.091 1.00 41.21 N ATOM 0 H GLN A 433 -17.164 14.060 -5.748 1.00 24.30 H new ATOM 0 HA GLN A 433 -15.846 14.431 -8.234 1.00 63.55 H new ATOM 0 HB2 GLN A 433 -14.371 15.939 -7.034 1.00 42.22 H new ATOM 0 HB3 GLN A 433 -16.062 16.276 -6.721 1.00 42.22 H new ATOM 0 HG2 GLN A 433 -15.911 15.202 -4.531 1.00 45.42 H new ATOM 0 HG3 GLN A 433 -14.250 14.737 -4.842 1.00 45.42 H new ATOM 0 HE21 GLN A 433 -15.584 17.837 -5.892 1.00 41.21 H new ATOM 0 HE22 GLN A 433 -14.667 18.831 -4.755 1.00 41.21 H new ATOM 481 N LEU A 434 -14.521 12.358 -6.113 1.00 4.04 N ATOM 482 CA LEU A 434 -13.487 11.350 -5.915 1.00 53.54 C ATOM 483 C LEU A 434 -13.414 10.396 -7.110 1.00 33.44 C ATOM 484 O LEU A 434 -12.329 10.094 -7.608 1.00 72.44 O ATOM 485 CB LEU A 434 -13.747 10.616 -4.559 1.00 72.41 C ATOM 486 CG LEU A 434 -12.802 9.477 -4.104 1.00 14.30 C ATOM 487 CD1 LEU A 434 -13.018 9.216 -2.624 1.00 14.14 C ATOM 488 CD2 LEU A 434 -13.091 8.181 -4.858 1.00 64.14 C ATOM 0 H LEU A 434 -15.262 12.331 -5.412 1.00 4.04 H new ATOM 0 HA LEU A 434 -12.507 11.824 -5.857 1.00 53.54 H new ATOM 0 HB2 LEU A 434 -13.744 11.373 -3.775 1.00 72.41 H new ATOM 0 HB3 LEU A 434 -14.755 10.204 -4.601 1.00 72.41 H new ATOM 0 HG LEU A 434 -11.777 9.787 -4.308 1.00 14.30 H new ATOM 0 HD11 LEU A 434 -12.356 8.415 -2.295 1.00 14.14 H new ATOM 0 HD12 LEU A 434 -12.799 10.122 -2.059 1.00 14.14 H new ATOM 0 HD13 LEU A 434 -14.054 8.923 -2.454 1.00 14.14 H new ATOM 0 HD21 LEU A 434 -12.411 7.401 -4.515 1.00 64.14 H new ATOM 0 HD22 LEU A 434 -14.120 7.873 -4.671 1.00 64.14 H new ATOM 0 HD23 LEU A 434 -12.949 8.342 -5.927 1.00 64.14 H new ATOM 500 N VAL A 435 -14.564 9.960 -7.573 1.00 2.42 N ATOM 501 CA VAL A 435 -14.651 9.032 -8.695 1.00 22.23 C ATOM 502 C VAL A 435 -14.104 9.649 -10.003 1.00 63.23 C ATOM 503 O VAL A 435 -13.432 8.976 -10.793 1.00 52.44 O ATOM 504 CB VAL A 435 -16.119 8.550 -8.900 1.00 22.32 C ATOM 505 CG1 VAL A 435 -16.240 7.638 -10.102 1.00 54.13 C ATOM 506 CG2 VAL A 435 -16.625 7.835 -7.657 1.00 61.12 C ATOM 0 H VAL A 435 -15.468 10.234 -7.188 1.00 2.42 H new ATOM 0 HA VAL A 435 -14.026 8.174 -8.449 1.00 22.23 H new ATOM 0 HB VAL A 435 -16.731 9.434 -9.079 1.00 22.32 H new ATOM 0 HG11 VAL A 435 -17.277 7.321 -10.215 1.00 54.13 H new ATOM 0 HG12 VAL A 435 -15.924 8.173 -10.998 1.00 54.13 H new ATOM 0 HG13 VAL A 435 -15.606 6.763 -9.960 1.00 54.13 H new ATOM 0 HG21 VAL A 435 -17.651 7.506 -7.819 1.00 61.12 H new ATOM 0 HG22 VAL A 435 -15.994 6.970 -7.453 1.00 61.12 H new ATOM 0 HG23 VAL A 435 -16.592 8.516 -6.807 1.00 61.12 H new ATOM 516 N LEU A 436 -14.360 10.922 -10.206 1.00 30.13 N ATOM 517 CA LEU A 436 -13.957 11.599 -11.430 1.00 23.03 C ATOM 518 C LEU A 436 -12.574 12.219 -11.334 1.00 64.53 C ATOM 519 O LEU A 436 -12.035 12.731 -12.325 1.00 64.12 O ATOM 520 CB LEU A 436 -14.994 12.655 -11.789 1.00 3.43 C ATOM 521 CG LEU A 436 -15.265 13.746 -10.771 1.00 35.24 C ATOM 522 CD1 LEU A 436 -14.220 14.849 -10.794 1.00 60.04 C ATOM 523 CD2 LEU A 436 -16.609 14.281 -10.986 1.00 51.12 C ATOM 0 H LEU A 436 -14.849 11.517 -9.537 1.00 30.13 H new ATOM 0 HA LEU A 436 -13.901 10.848 -12.218 1.00 23.03 H new ATOM 0 HB2 LEU A 436 -14.680 13.132 -12.718 1.00 3.43 H new ATOM 0 HB3 LEU A 436 -15.935 12.146 -11.994 1.00 3.43 H new ATOM 0 HG LEU A 436 -15.202 13.302 -9.777 1.00 35.24 H new ATOM 0 HD11 LEU A 436 -14.468 15.600 -10.044 1.00 60.04 H new ATOM 0 HD12 LEU A 436 -13.240 14.426 -10.574 1.00 60.04 H new ATOM 0 HD13 LEU A 436 -14.202 15.313 -11.780 1.00 60.04 H new ATOM 0 HD21 LEU A 436 -16.809 15.066 -10.257 1.00 51.12 H new ATOM 0 HD22 LEU A 436 -16.680 14.694 -11.992 1.00 51.12 H new ATOM 0 HD23 LEU A 436 -17.341 13.482 -10.870 1.00 51.12 H new ATOM 535 N MET A 437 -12.008 12.175 -10.157 1.00 14.24 N ATOM 536 CA MET A 437 -10.768 12.862 -9.883 1.00 75.40 C ATOM 537 C MET A 437 -9.579 12.072 -10.412 1.00 43.43 C ATOM 538 O MET A 437 -9.359 10.937 -9.996 1.00 13.42 O ATOM 539 CB MET A 437 -10.631 13.101 -8.380 1.00 3.01 C ATOM 540 CG MET A 437 -9.552 14.085 -7.997 1.00 62.24 C ATOM 541 SD MET A 437 -9.806 15.705 -8.771 1.00 75.11 S ATOM 542 CE MET A 437 -11.491 16.109 -8.238 1.00 14.34 C ATOM 0 H MET A 437 -12.390 11.664 -9.361 1.00 14.24 H new ATOM 0 HA MET A 437 -10.782 13.824 -10.395 1.00 75.40 H new ATOM 0 HB2 MET A 437 -11.585 13.459 -7.994 1.00 3.01 H new ATOM 0 HB3 MET A 437 -10.426 12.149 -7.891 1.00 3.01 H new ATOM 0 HG2 MET A 437 -9.534 14.200 -6.913 1.00 62.24 H new ATOM 0 HG3 MET A 437 -8.580 13.690 -8.292 1.00 62.24 H new ATOM 0 HE1 MET A 437 -11.676 17.172 -8.391 1.00 14.34 H new ATOM 0 HE2 MET A 437 -12.206 15.529 -8.821 1.00 14.34 H new ATOM 0 HE3 MET A 437 -11.606 15.869 -7.181 1.00 14.34 H new ATOM 552 N PRO A 438 -8.780 12.675 -11.326 1.00 4.52 N ATOM 553 CA PRO A 438 -7.630 12.007 -11.963 1.00 32.51 C ATOM 554 C PRO A 438 -6.612 11.474 -10.957 1.00 31.45 C ATOM 555 O PRO A 438 -5.985 10.434 -11.187 1.00 33.03 O ATOM 556 CB PRO A 438 -6.999 13.105 -12.829 1.00 12.32 C ATOM 557 CG PRO A 438 -7.577 14.384 -12.327 1.00 43.41 C ATOM 558 CD PRO A 438 -8.939 14.052 -11.823 1.00 23.15 C ATOM 0 HA PRO A 438 -7.949 11.130 -12.526 1.00 32.51 H new ATOM 0 HB2 PRO A 438 -5.913 13.102 -12.738 1.00 12.32 H new ATOM 0 HB3 PRO A 438 -7.231 12.956 -13.884 1.00 12.32 H new ATOM 0 HG2 PRO A 438 -6.960 14.806 -11.534 1.00 43.41 H new ATOM 0 HG3 PRO A 438 -7.626 15.128 -13.122 1.00 43.41 H new ATOM 0 HD2 PRO A 438 -9.254 14.733 -11.032 1.00 23.15 H new ATOM 0 HD3 PRO A 438 -9.688 14.112 -12.613 1.00 23.15 H new ATOM 566 N GLN A 439 -6.467 12.185 -9.838 1.00 52.03 N ATOM 567 CA GLN A 439 -5.551 11.782 -8.777 1.00 43.11 C ATOM 568 C GLN A 439 -5.966 10.423 -8.242 1.00 41.10 C ATOM 569 O GLN A 439 -5.157 9.505 -8.132 1.00 72.44 O ATOM 570 CB GLN A 439 -5.585 12.804 -7.635 1.00 64.33 C ATOM 571 CG GLN A 439 -5.214 14.222 -8.045 1.00 3.14 C ATOM 572 CD GLN A 439 -5.318 15.201 -6.892 1.00 23.43 C ATOM 573 OE1 GLN A 439 -6.370 15.803 -6.662 1.00 64.24 O ATOM 574 NE2 GLN A 439 -4.249 15.371 -6.164 1.00 43.10 N ATOM 0 H GLN A 439 -6.977 13.047 -9.645 1.00 52.03 H new ATOM 0 HA GLN A 439 -4.540 11.730 -9.182 1.00 43.11 H new ATOM 0 HB2 GLN A 439 -6.586 12.814 -7.203 1.00 64.33 H new ATOM 0 HB3 GLN A 439 -4.903 12.476 -6.851 1.00 64.33 H new ATOM 0 HG2 GLN A 439 -4.196 14.230 -8.435 1.00 3.14 H new ATOM 0 HG3 GLN A 439 -5.868 14.547 -8.854 1.00 3.14 H new ATOM 0 HE21 GLN A 439 -3.396 14.857 -6.383 1.00 43.10 H new ATOM 0 HE22 GLN A 439 -4.266 16.018 -5.376 1.00 43.10 H new ATOM 583 N VAL A 440 -7.253 10.291 -7.979 1.00 22.03 N ATOM 584 CA VAL A 440 -7.807 9.070 -7.445 1.00 24.50 C ATOM 585 C VAL A 440 -7.887 8.019 -8.545 1.00 12.45 C ATOM 586 O VAL A 440 -7.723 6.836 -8.297 1.00 25.43 O ATOM 587 CB VAL A 440 -9.209 9.304 -6.829 1.00 11.22 C ATOM 588 CG1 VAL A 440 -9.754 8.023 -6.208 1.00 33.05 C ATOM 589 CG2 VAL A 440 -9.162 10.424 -5.795 1.00 63.45 C ATOM 0 H VAL A 440 -7.940 11.030 -8.131 1.00 22.03 H new ATOM 0 HA VAL A 440 -7.150 8.718 -6.650 1.00 24.50 H new ATOM 0 HB VAL A 440 -9.883 9.604 -7.631 1.00 11.22 H new ATOM 0 HG11 VAL A 440 -10.739 8.215 -5.783 1.00 33.05 H new ATOM 0 HG12 VAL A 440 -9.834 7.252 -6.975 1.00 33.05 H new ATOM 0 HG13 VAL A 440 -9.079 7.684 -5.422 1.00 33.05 H new ATOM 0 HG21 VAL A 440 -10.156 10.573 -5.374 1.00 63.45 H new ATOM 0 HG22 VAL A 440 -8.468 10.155 -4.999 1.00 63.45 H new ATOM 0 HG23 VAL A 440 -8.828 11.346 -6.272 1.00 63.45 H new ATOM 599 N LEU A 441 -8.112 8.478 -9.767 1.00 62.41 N ATOM 600 CA LEU A 441 -8.188 7.610 -10.939 1.00 14.52 C ATOM 601 C LEU A 441 -6.865 6.855 -11.119 1.00 11.31 C ATOM 602 O LEU A 441 -6.854 5.689 -11.509 1.00 75.22 O ATOM 603 CB LEU A 441 -8.587 8.454 -12.188 1.00 64.23 C ATOM 604 CG LEU A 441 -8.826 7.741 -13.551 1.00 5.41 C ATOM 605 CD1 LEU A 441 -9.519 8.699 -14.503 1.00 63.32 C ATOM 606 CD2 LEU A 441 -7.514 7.295 -14.196 1.00 64.13 C ATOM 0 H LEU A 441 -8.248 9.467 -9.977 1.00 62.41 H new ATOM 0 HA LEU A 441 -8.962 6.854 -10.803 1.00 14.52 H new ATOM 0 HB2 LEU A 441 -9.499 8.995 -11.938 1.00 64.23 H new ATOM 0 HB3 LEU A 441 -7.806 9.199 -12.342 1.00 64.23 H new ATOM 0 HG LEU A 441 -9.439 6.861 -13.359 1.00 5.41 H new ATOM 0 HD11 LEU A 441 -9.688 8.203 -15.459 1.00 63.32 H new ATOM 0 HD12 LEU A 441 -10.475 9.005 -14.079 1.00 63.32 H new ATOM 0 HD13 LEU A 441 -8.892 9.577 -14.656 1.00 63.32 H new ATOM 0 HD21 LEU A 441 -7.724 6.802 -15.145 1.00 64.13 H new ATOM 0 HD22 LEU A 441 -6.881 8.165 -14.371 1.00 64.13 H new ATOM 0 HD23 LEU A 441 -7.000 6.600 -13.532 1.00 64.13 H new ATOM 618 N HIS A 442 -5.757 7.513 -10.808 1.00 53.44 N ATOM 619 CA HIS A 442 -4.455 6.855 -10.865 1.00 30.14 C ATOM 620 C HIS A 442 -4.384 5.726 -9.855 1.00 24.00 C ATOM 621 O HIS A 442 -3.861 4.663 -10.142 1.00 74.32 O ATOM 622 CB HIS A 442 -3.291 7.837 -10.684 1.00 11.13 C ATOM 623 CG HIS A 442 -3.141 8.796 -11.824 1.00 35.25 C ATOM 624 ND1 HIS A 442 -2.948 10.150 -11.664 1.00 43.45 N ATOM 625 CD2 HIS A 442 -3.125 8.576 -13.155 1.00 13.20 C ATOM 626 CE1 HIS A 442 -2.827 10.716 -12.847 1.00 32.55 C ATOM 627 NE2 HIS A 442 -2.930 9.781 -13.767 1.00 72.55 N ATOM 0 H HIS A 442 -5.730 8.490 -10.517 1.00 53.44 H new ATOM 0 HA HIS A 442 -4.351 6.434 -11.865 1.00 30.14 H new ATOM 0 HB2 HIS A 442 -3.440 8.400 -9.762 1.00 11.13 H new ATOM 0 HB3 HIS A 442 -2.365 7.274 -10.568 1.00 11.13 H new ATOM 0 HD2 HIS A 442 -3.245 7.622 -13.646 1.00 13.20 H new ATOM 0 HE1 HIS A 442 -2.670 11.769 -13.031 1.00 32.55 H new ATOM 0 HE2 HIS A 442 -2.873 9.932 -14.774 1.00 72.55 H new ATOM 636 N TYR A 443 -4.952 5.948 -8.691 1.00 30.35 N ATOM 637 CA TYR A 443 -5.011 4.927 -7.668 1.00 11.32 C ATOM 638 C TYR A 443 -6.022 3.859 -8.015 1.00 2.34 C ATOM 639 O TYR A 443 -5.879 2.719 -7.622 1.00 13.05 O ATOM 640 CB TYR A 443 -5.259 5.522 -6.292 1.00 40.33 C ATOM 641 CG TYR A 443 -4.095 6.346 -5.815 1.00 24.30 C ATOM 642 CD1 TYR A 443 -2.907 5.728 -5.463 1.00 33.53 C ATOM 643 CD2 TYR A 443 -4.170 7.723 -5.719 1.00 34.24 C ATOM 644 CE1 TYR A 443 -1.828 6.454 -5.029 1.00 21.01 C ATOM 645 CE2 TYR A 443 -3.090 8.462 -5.285 1.00 10.41 C ATOM 646 CZ TYR A 443 -1.920 7.819 -4.943 1.00 31.30 C ATOM 647 OH TYR A 443 -0.832 8.547 -4.501 1.00 5.20 O ATOM 0 H TYR A 443 -5.383 6.834 -8.427 1.00 30.35 H new ATOM 0 HA TYR A 443 -4.034 4.445 -7.629 1.00 11.32 H new ATOM 0 HB2 TYR A 443 -6.154 6.143 -6.322 1.00 40.33 H new ATOM 0 HB3 TYR A 443 -5.451 4.720 -5.580 1.00 40.33 H new ATOM 0 HD1 TYR A 443 -2.829 4.653 -5.532 1.00 33.53 H new ATOM 0 HD2 TYR A 443 -5.087 8.227 -5.988 1.00 34.24 H new ATOM 0 HE1 TYR A 443 -0.911 5.953 -4.756 1.00 21.01 H new ATOM 0 HE2 TYR A 443 -3.160 9.537 -5.214 1.00 10.41 H new ATOM 0 HH TYR A 443 -1.056 9.501 -4.498 1.00 5.20 H new ATOM 657 N ALA A 444 -7.029 4.247 -8.762 1.00 2.01 N ATOM 658 CA ALA A 444 -8.066 3.344 -9.247 1.00 75.32 C ATOM 659 C ALA A 444 -7.464 2.315 -10.192 1.00 5.44 C ATOM 660 O ALA A 444 -7.923 1.174 -10.255 1.00 31.40 O ATOM 661 CB ALA A 444 -9.190 4.109 -9.924 1.00 1.22 C ATOM 0 H ALA A 444 -7.160 5.214 -9.059 1.00 2.01 H new ATOM 0 HA ALA A 444 -8.494 2.823 -8.390 1.00 75.32 H new ATOM 0 HB1 ALA A 444 -9.947 3.408 -10.275 1.00 1.22 H new ATOM 0 HB2 ALA A 444 -9.639 4.802 -9.212 1.00 1.22 H new ATOM 0 HB3 ALA A 444 -8.792 4.667 -10.772 1.00 1.22 H new ATOM 667 N GLN A 445 -6.443 2.734 -10.936 1.00 31.41 N ATOM 668 CA GLN A 445 -5.685 1.831 -11.796 1.00 64.03 C ATOM 669 C GLN A 445 -5.058 0.736 -10.942 1.00 24.22 C ATOM 670 O GLN A 445 -5.000 -0.421 -11.329 1.00 22.01 O ATOM 671 CB GLN A 445 -4.581 2.597 -12.550 1.00 72.11 C ATOM 672 CG GLN A 445 -5.081 3.674 -13.508 1.00 31.33 C ATOM 673 CD GLN A 445 -5.848 3.119 -14.701 1.00 11.31 C ATOM 674 OE1 GLN A 445 -6.493 2.070 -14.627 1.00 52.13 O ATOM 675 NE2 GLN A 445 -5.796 3.815 -15.799 1.00 43.21 N ATOM 0 H GLN A 445 -6.120 3.701 -10.960 1.00 31.41 H new ATOM 0 HA GLN A 445 -6.360 1.390 -12.529 1.00 64.03 H new ATOM 0 HB2 GLN A 445 -3.918 3.061 -11.820 1.00 72.11 H new ATOM 0 HB3 GLN A 445 -3.983 1.881 -13.113 1.00 72.11 H new ATOM 0 HG2 GLN A 445 -5.724 4.364 -12.962 1.00 31.33 H new ATOM 0 HG3 GLN A 445 -4.230 4.250 -13.870 1.00 31.33 H new ATOM 0 HE21 GLN A 445 -5.254 4.679 -15.830 1.00 43.21 H new ATOM 0 HE22 GLN A 445 -6.297 3.497 -16.629 1.00 43.21 H new ATOM 684 N TYR A 446 -4.597 1.125 -9.775 1.00 2.03 N ATOM 685 CA TYR A 446 -4.026 0.202 -8.817 1.00 3.50 C ATOM 686 C TYR A 446 -5.110 -0.632 -8.124 1.00 22.53 C ATOM 687 O TYR A 446 -4.942 -1.835 -7.912 1.00 24.55 O ATOM 688 CB TYR A 446 -3.144 0.945 -7.817 1.00 63.24 C ATOM 689 CG TYR A 446 -1.893 1.520 -8.451 1.00 24.03 C ATOM 690 CD1 TYR A 446 -1.763 2.877 -8.689 1.00 62.43 C ATOM 691 CD2 TYR A 446 -0.847 0.690 -8.830 1.00 61.45 C ATOM 692 CE1 TYR A 446 -0.630 3.394 -9.284 1.00 62.13 C ATOM 693 CE2 TYR A 446 0.291 1.197 -9.421 1.00 30.35 C ATOM 694 CZ TYR A 446 0.392 2.550 -9.645 1.00 30.12 C ATOM 695 OH TYR A 446 1.524 3.064 -10.239 1.00 34.23 O ATOM 0 H TYR A 446 -4.607 2.095 -9.461 1.00 2.03 H new ATOM 0 HA TYR A 446 -3.392 -0.501 -9.357 1.00 3.50 H new ATOM 0 HB2 TYR A 446 -3.719 1.752 -7.362 1.00 63.24 H new ATOM 0 HB3 TYR A 446 -2.859 0.264 -7.015 1.00 63.24 H new ATOM 0 HD1 TYR A 446 -2.563 3.544 -8.404 1.00 62.43 H new ATOM 0 HD2 TYR A 446 -0.926 -0.373 -8.659 1.00 61.45 H new ATOM 0 HE1 TYR A 446 -0.547 4.456 -9.465 1.00 62.13 H new ATOM 0 HE2 TYR A 446 1.097 0.537 -9.706 1.00 30.35 H new ATOM 0 HH TYR A 446 2.152 2.336 -10.431 1.00 34.23 H new ATOM 705 N VAL A 447 -6.233 0.013 -7.799 1.00 40.32 N ATOM 706 CA VAL A 447 -7.392 -0.660 -7.188 1.00 24.53 C ATOM 707 C VAL A 447 -7.906 -1.768 -8.106 1.00 65.11 C ATOM 708 O VAL A 447 -8.373 -2.804 -7.643 1.00 13.13 O ATOM 709 CB VAL A 447 -8.552 0.347 -6.862 1.00 70.20 C ATOM 710 CG1 VAL A 447 -9.770 -0.367 -6.285 1.00 23.42 C ATOM 711 CG2 VAL A 447 -8.077 1.406 -5.885 1.00 31.01 C ATOM 0 H VAL A 447 -6.369 1.013 -7.949 1.00 40.32 H new ATOM 0 HA VAL A 447 -7.056 -1.095 -6.247 1.00 24.53 H new ATOM 0 HB VAL A 447 -8.843 0.820 -7.800 1.00 70.20 H new ATOM 0 HG11 VAL A 447 -10.552 0.362 -6.072 1.00 23.42 H new ATOM 0 HG12 VAL A 447 -10.140 -1.096 -7.006 1.00 23.42 H new ATOM 0 HG13 VAL A 447 -9.490 -0.878 -5.364 1.00 23.42 H new ATOM 0 HG21 VAL A 447 -8.894 2.095 -5.670 1.00 31.01 H new ATOM 0 HG22 VAL A 447 -7.752 0.929 -4.960 1.00 31.01 H new ATOM 0 HG23 VAL A 447 -7.243 1.956 -6.321 1.00 31.01 H new ATOM 721 N LEU A 448 -7.784 -1.546 -9.408 1.00 44.50 N ATOM 722 CA LEU A 448 -8.178 -2.498 -10.406 1.00 34.05 C ATOM 723 C LEU A 448 -7.425 -3.820 -10.211 1.00 60.05 C ATOM 724 O LEU A 448 -8.004 -4.894 -10.308 1.00 65.11 O ATOM 725 CB LEU A 448 -7.904 -1.913 -11.790 1.00 41.52 C ATOM 726 CG LEU A 448 -8.197 -2.815 -12.969 1.00 12.04 C ATOM 727 CD1 LEU A 448 -9.677 -3.187 -13.030 1.00 15.33 C ATOM 728 CD2 LEU A 448 -7.733 -2.179 -14.267 1.00 55.43 C ATOM 0 H LEU A 448 -7.401 -0.683 -9.794 1.00 44.50 H new ATOM 0 HA LEU A 448 -9.244 -2.706 -10.312 1.00 34.05 H new ATOM 0 HB2 LEU A 448 -8.495 -1.003 -11.900 1.00 41.52 H new ATOM 0 HB3 LEU A 448 -6.855 -1.620 -11.836 1.00 41.52 H new ATOM 0 HG LEU A 448 -7.635 -3.738 -12.830 1.00 12.04 H new ATOM 0 HD11 LEU A 448 -9.854 -3.835 -13.888 1.00 15.33 H new ATOM 0 HD12 LEU A 448 -9.959 -3.710 -12.116 1.00 15.33 H new ATOM 0 HD13 LEU A 448 -10.276 -2.282 -13.130 1.00 15.33 H new ATOM 0 HD21 LEU A 448 -7.955 -2.847 -15.099 1.00 55.43 H new ATOM 0 HD22 LEU A 448 -8.252 -1.232 -14.414 1.00 55.43 H new ATOM 0 HD23 LEU A 448 -6.659 -2.001 -14.221 1.00 55.43 H new ATOM 740 N LEU A 449 -6.143 -3.728 -9.902 1.00 1.01 N ATOM 741 CA LEU A 449 -5.328 -4.914 -9.662 1.00 32.22 C ATOM 742 C LEU A 449 -5.672 -5.555 -8.331 1.00 61.43 C ATOM 743 O LEU A 449 -5.576 -6.778 -8.177 1.00 42.44 O ATOM 744 CB LEU A 449 -3.810 -4.634 -9.765 1.00 45.44 C ATOM 745 CG LEU A 449 -3.212 -4.455 -11.180 1.00 20.41 C ATOM 746 CD1 LEU A 449 -3.857 -3.321 -11.936 1.00 10.41 C ATOM 747 CD2 LEU A 449 -1.713 -4.246 -11.099 1.00 64.03 C ATOM 0 H LEU A 449 -5.641 -2.845 -9.811 1.00 1.01 H new ATOM 0 HA LEU A 449 -5.569 -5.618 -10.458 1.00 32.22 H new ATOM 0 HB2 LEU A 449 -3.595 -3.732 -9.192 1.00 45.44 H new ATOM 0 HB3 LEU A 449 -3.283 -5.454 -9.278 1.00 45.44 H new ATOM 0 HG LEU A 449 -3.419 -5.371 -11.733 1.00 20.41 H new ATOM 0 HD11 LEU A 449 -3.402 -3.237 -12.923 1.00 10.41 H new ATOM 0 HD12 LEU A 449 -4.924 -3.516 -12.044 1.00 10.41 H new ATOM 0 HD13 LEU A 449 -3.712 -2.390 -11.389 1.00 10.41 H new ATOM 0 HD21 LEU A 449 -1.308 -4.122 -12.103 1.00 64.03 H new ATOM 0 HD22 LEU A 449 -1.501 -3.354 -10.510 1.00 64.03 H new ATOM 0 HD23 LEU A 449 -1.250 -5.112 -10.626 1.00 64.03 H new ATOM 759 N GLY A 450 -6.053 -4.737 -7.373 1.00 61.21 N ATOM 760 CA GLY A 450 -6.473 -5.246 -6.084 1.00 2.45 C ATOM 761 C GLY A 450 -7.771 -6.016 -6.194 1.00 55.24 C ATOM 762 O GLY A 450 -7.888 -7.146 -5.699 1.00 20.34 O ATOM 0 H GLY A 450 -6.081 -3.721 -7.461 1.00 61.21 H new ATOM 0 HA2 GLY A 450 -5.697 -5.893 -5.676 1.00 2.45 H new ATOM 0 HA3 GLY A 450 -6.597 -4.418 -5.386 1.00 2.45 H new ATOM 766 N LEU A 451 -8.731 -5.409 -6.871 1.00 50.44 N ATOM 767 CA LEU A 451 -10.028 -6.012 -7.113 1.00 23.14 C ATOM 768 C LEU A 451 -9.867 -7.246 -7.990 1.00 51.31 C ATOM 769 O LEU A 451 -10.509 -8.265 -7.760 1.00 71.52 O ATOM 770 CB LEU A 451 -10.966 -4.999 -7.787 1.00 12.10 C ATOM 771 CG LEU A 451 -12.393 -5.482 -8.090 1.00 20.22 C ATOM 772 CD1 LEU A 451 -13.131 -5.849 -6.807 1.00 24.40 C ATOM 773 CD2 LEU A 451 -13.159 -4.423 -8.866 1.00 32.20 C ATOM 0 H LEU A 451 -8.630 -4.476 -7.271 1.00 50.44 H new ATOM 0 HA LEU A 451 -10.466 -6.309 -6.160 1.00 23.14 H new ATOM 0 HB2 LEU A 451 -11.032 -4.118 -7.148 1.00 12.10 H new ATOM 0 HB3 LEU A 451 -10.508 -4.680 -8.723 1.00 12.10 H new ATOM 0 HG LEU A 451 -12.324 -6.379 -8.705 1.00 20.22 H new ATOM 0 HD11 LEU A 451 -14.138 -6.187 -7.051 1.00 24.40 H new ATOM 0 HD12 LEU A 451 -12.594 -6.647 -6.294 1.00 24.40 H new ATOM 0 HD13 LEU A 451 -13.189 -4.975 -6.158 1.00 24.40 H new ATOM 0 HD21 LEU A 451 -14.168 -4.781 -9.072 1.00 32.20 H new ATOM 0 HD22 LEU A 451 -13.213 -3.508 -8.277 1.00 32.20 H new ATOM 0 HD23 LEU A 451 -12.647 -4.219 -9.806 1.00 32.20 H new ATOM 785 N GLY A 452 -8.988 -7.143 -8.987 1.00 25.44 N ATOM 786 CA GLY A 452 -8.696 -8.265 -9.865 1.00 31.31 C ATOM 787 C GLY A 452 -8.117 -9.431 -9.095 1.00 1.41 C ATOM 788 O GLY A 452 -8.385 -10.595 -9.410 1.00 73.02 O ATOM 0 H GLY A 452 -8.468 -6.292 -9.203 1.00 25.44 H new ATOM 0 HA2 GLY A 452 -9.608 -8.579 -10.373 1.00 31.31 H new ATOM 0 HA3 GLY A 452 -7.993 -7.952 -10.637 1.00 31.31 H new ATOM 792 N GLY A 453 -7.329 -9.112 -8.076 1.00 14.45 N ATOM 793 CA GLY A 453 -6.778 -10.123 -7.216 1.00 4.20 C ATOM 794 C GLY A 453 -7.871 -10.792 -6.428 1.00 2.04 C ATOM 795 O GLY A 453 -7.951 -12.003 -6.384 1.00 74.13 O ATOM 0 H GLY A 453 -7.064 -8.157 -7.834 1.00 14.45 H new ATOM 0 HA2 GLY A 453 -6.244 -10.864 -7.811 1.00 4.20 H new ATOM 0 HA3 GLY A 453 -6.052 -9.676 -6.537 1.00 4.20 H new ATOM 799 N LEU A 454 -8.753 -9.980 -5.843 1.00 54.31 N ATOM 800 CA LEU A 454 -9.900 -10.479 -5.070 1.00 54.32 C ATOM 801 C LEU A 454 -10.791 -11.368 -5.952 1.00 60.31 C ATOM 802 O LEU A 454 -11.334 -12.376 -5.497 1.00 23.15 O ATOM 803 CB LEU A 454 -10.714 -9.297 -4.511 1.00 64.11 C ATOM 804 CG LEU A 454 -11.948 -9.650 -3.669 1.00 11.54 C ATOM 805 CD1 LEU A 454 -11.560 -10.437 -2.423 1.00 24.23 C ATOM 806 CD2 LEU A 454 -12.714 -8.394 -3.292 1.00 22.31 C ATOM 0 H LEU A 454 -8.696 -8.963 -5.889 1.00 54.31 H new ATOM 0 HA LEU A 454 -9.529 -11.076 -4.237 1.00 54.32 H new ATOM 0 HB2 LEU A 454 -10.050 -8.684 -3.902 1.00 64.11 H new ATOM 0 HB3 LEU A 454 -11.038 -8.680 -5.349 1.00 64.11 H new ATOM 0 HG LEU A 454 -12.597 -10.283 -4.275 1.00 11.54 H new ATOM 0 HD11 LEU A 454 -12.455 -10.672 -1.848 1.00 24.23 H new ATOM 0 HD12 LEU A 454 -11.064 -11.362 -2.717 1.00 24.23 H new ATOM 0 HD13 LEU A 454 -10.882 -9.840 -1.812 1.00 24.23 H new ATOM 0 HD21 LEU A 454 -13.585 -8.664 -2.695 1.00 22.31 H new ATOM 0 HD22 LEU A 454 -12.068 -7.734 -2.713 1.00 22.31 H new ATOM 0 HD23 LEU A 454 -13.039 -7.881 -4.197 1.00 22.31 H new ATOM 818 N LEU A 455 -10.904 -10.990 -7.213 1.00 52.52 N ATOM 819 CA LEU A 455 -11.669 -11.736 -8.203 1.00 32.51 C ATOM 820 C LEU A 455 -11.082 -13.145 -8.408 1.00 3.44 C ATOM 821 O LEU A 455 -11.799 -14.085 -8.743 1.00 74.04 O ATOM 822 CB LEU A 455 -11.707 -10.958 -9.531 1.00 21.21 C ATOM 823 CG LEU A 455 -12.504 -11.584 -10.683 1.00 72.40 C ATOM 824 CD1 LEU A 455 -13.968 -11.740 -10.306 1.00 13.32 C ATOM 825 CD2 LEU A 455 -12.365 -10.749 -11.948 1.00 0.02 C ATOM 0 H LEU A 455 -10.464 -10.148 -7.585 1.00 52.52 H new ATOM 0 HA LEU A 455 -12.689 -11.855 -7.837 1.00 32.51 H new ATOM 0 HB2 LEU A 455 -12.119 -9.969 -9.332 1.00 21.21 H new ATOM 0 HB3 LEU A 455 -10.681 -10.814 -9.868 1.00 21.21 H new ATOM 0 HG LEU A 455 -12.095 -12.575 -10.878 1.00 72.40 H new ATOM 0 HD11 LEU A 455 -14.513 -12.186 -11.138 1.00 13.32 H new ATOM 0 HD12 LEU A 455 -14.052 -12.384 -9.431 1.00 13.32 H new ATOM 0 HD13 LEU A 455 -14.391 -10.762 -10.078 1.00 13.32 H new ATOM 0 HD21 LEU A 455 -12.938 -11.210 -12.753 1.00 0.02 H new ATOM 0 HD22 LEU A 455 -12.743 -9.743 -11.764 1.00 0.02 H new ATOM 0 HD23 LEU A 455 -11.315 -10.695 -12.235 1.00 0.02 H new ATOM 837 N LEU A 456 -9.782 -13.280 -8.190 1.00 62.12 N ATOM 838 CA LEU A 456 -9.106 -14.561 -8.332 1.00 60.44 C ATOM 839 C LEU A 456 -9.341 -15.427 -7.089 1.00 74.33 C ATOM 840 O LEU A 456 -9.316 -16.653 -7.160 1.00 3.05 O ATOM 841 CB LEU A 456 -7.606 -14.351 -8.579 1.00 3.33 C ATOM 842 CG LEU A 456 -6.755 -15.612 -8.781 1.00 72.25 C ATOM 843 CD1 LEU A 456 -7.219 -16.397 -9.999 1.00 44.40 C ATOM 844 CD2 LEU A 456 -5.293 -15.241 -8.916 1.00 61.23 C ATOM 0 H LEU A 456 -9.171 -12.512 -7.912 1.00 62.12 H new ATOM 0 HA LEU A 456 -9.521 -15.083 -9.194 1.00 60.44 H new ATOM 0 HB2 LEU A 456 -7.492 -13.719 -9.460 1.00 3.33 H new ATOM 0 HB3 LEU A 456 -7.197 -13.797 -7.734 1.00 3.33 H new ATOM 0 HG LEU A 456 -6.877 -16.249 -7.905 1.00 72.25 H new ATOM 0 HD11 LEU A 456 -6.598 -17.285 -10.118 1.00 44.40 H new ATOM 0 HD12 LEU A 456 -8.258 -16.696 -9.865 1.00 44.40 H new ATOM 0 HD13 LEU A 456 -7.133 -15.773 -10.888 1.00 44.40 H new ATOM 0 HD21 LEU A 456 -4.700 -16.144 -9.059 1.00 61.23 H new ATOM 0 HD22 LEU A 456 -5.163 -14.582 -9.774 1.00 61.23 H new ATOM 0 HD23 LEU A 456 -4.963 -14.729 -8.012 1.00 61.23 H new ATOM 856 N LEU A 457 -9.590 -14.780 -5.956 1.00 21.33 N ATOM 857 CA LEU A 457 -9.885 -15.493 -4.712 1.00 73.02 C ATOM 858 C LEU A 457 -11.250 -16.153 -4.736 1.00 5.25 C ATOM 859 O LEU A 457 -11.451 -17.167 -4.083 1.00 2.55 O ATOM 860 CB LEU A 457 -9.712 -14.625 -3.440 1.00 34.11 C ATOM 861 CG LEU A 457 -8.271 -14.396 -2.913 1.00 50.12 C ATOM 862 CD1 LEU A 457 -7.377 -13.715 -3.926 1.00 44.52 C ATOM 863 CD2 LEU A 457 -8.303 -13.605 -1.617 1.00 53.42 C ATOM 0 H LEU A 457 -9.594 -13.764 -5.870 1.00 21.33 H new ATOM 0 HA LEU A 457 -9.131 -16.279 -4.655 1.00 73.02 H new ATOM 0 HB2 LEU A 457 -10.156 -13.649 -3.637 1.00 34.11 H new ATOM 0 HB3 LEU A 457 -10.293 -15.084 -2.640 1.00 34.11 H new ATOM 0 HG LEU A 457 -7.842 -15.380 -2.727 1.00 50.12 H new ATOM 0 HD11 LEU A 457 -6.382 -13.581 -3.501 1.00 44.52 H new ATOM 0 HD12 LEU A 457 -7.309 -14.330 -4.823 1.00 44.52 H new ATOM 0 HD13 LEU A 457 -7.795 -12.742 -4.184 1.00 44.52 H new ATOM 0 HD21 LEU A 457 -7.285 -13.452 -1.259 1.00 53.42 H new ATOM 0 HD22 LEU A 457 -8.775 -12.638 -1.792 1.00 53.42 H new ATOM 0 HD23 LEU A 457 -8.872 -14.156 -0.868 1.00 53.42 H new ATOM 875 N VAL A 458 -12.181 -15.582 -5.481 1.00 53.14 N ATOM 876 CA VAL A 458 -13.535 -16.140 -5.589 1.00 33.53 C ATOM 877 C VAL A 458 -13.525 -17.641 -6.060 1.00 1.51 C ATOM 878 O VAL A 458 -14.126 -18.487 -5.397 1.00 34.02 O ATOM 879 CB VAL A 458 -14.476 -15.262 -6.472 1.00 43.44 C ATOM 880 CG1 VAL A 458 -15.882 -15.839 -6.514 1.00 2.51 C ATOM 881 CG2 VAL A 458 -14.509 -13.830 -5.951 1.00 34.01 C ATOM 0 H VAL A 458 -12.032 -14.731 -6.024 1.00 53.14 H new ATOM 0 HA VAL A 458 -13.950 -16.125 -4.581 1.00 33.53 H new ATOM 0 HB VAL A 458 -14.080 -15.259 -7.487 1.00 43.44 H new ATOM 0 HG11 VAL A 458 -16.516 -15.207 -7.136 1.00 2.51 H new ATOM 0 HG12 VAL A 458 -15.850 -16.845 -6.932 1.00 2.51 H new ATOM 0 HG13 VAL A 458 -16.289 -15.879 -5.504 1.00 2.51 H new ATOM 0 HG21 VAL A 458 -15.169 -13.230 -6.577 1.00 34.01 H new ATOM 0 HG22 VAL A 458 -14.878 -13.824 -4.925 1.00 34.01 H new ATOM 0 HG23 VAL A 458 -13.504 -13.410 -5.977 1.00 34.01 H new ATOM 891 N PRO A 459 -12.838 -18.002 -7.203 1.00 13.53 N ATOM 892 CA PRO A 459 -12.699 -19.414 -7.625 1.00 55.23 C ATOM 893 C PRO A 459 -11.964 -20.250 -6.575 1.00 2.11 C ATOM 894 O PRO A 459 -12.200 -21.455 -6.444 1.00 11.35 O ATOM 895 CB PRO A 459 -11.858 -19.334 -8.897 1.00 13.12 C ATOM 896 CG PRO A 459 -12.070 -17.959 -9.398 1.00 55.32 C ATOM 897 CD PRO A 459 -12.208 -17.100 -8.185 1.00 64.45 C ATOM 0 HA PRO A 459 -13.669 -19.890 -7.768 1.00 55.23 H new ATOM 0 HB2 PRO A 459 -10.805 -19.522 -8.688 1.00 13.12 H new ATOM 0 HB3 PRO A 459 -12.175 -20.076 -9.629 1.00 13.12 H new ATOM 0 HG2 PRO A 459 -11.232 -17.634 -10.014 1.00 55.32 H new ATOM 0 HG3 PRO A 459 -12.963 -17.903 -10.020 1.00 55.32 H new ATOM 0 HD2 PRO A 459 -11.241 -16.737 -7.836 1.00 64.45 H new ATOM 0 HD3 PRO A 459 -12.825 -16.223 -8.381 1.00 64.45 H new ATOM 905 N ILE A 460 -11.080 -19.604 -5.823 1.00 31.21 N ATOM 906 CA ILE A 460 -10.358 -20.274 -4.760 1.00 24.23 C ATOM 907 C ILE A 460 -11.346 -20.684 -3.670 1.00 14.14 C ATOM 908 O ILE A 460 -11.308 -21.802 -3.191 1.00 55.03 O ATOM 909 CB ILE A 460 -9.231 -19.382 -4.159 1.00 61.34 C ATOM 910 CG1 ILE A 460 -8.227 -18.985 -5.251 1.00 30.22 C ATOM 911 CG2 ILE A 460 -8.518 -20.106 -3.014 1.00 2.42 C ATOM 912 CD1 ILE A 460 -7.089 -18.107 -4.763 1.00 64.24 C ATOM 0 H ILE A 460 -10.849 -18.617 -5.934 1.00 31.21 H new ATOM 0 HA ILE A 460 -9.873 -21.155 -5.181 1.00 24.23 H new ATOM 0 HB ILE A 460 -9.687 -18.477 -3.758 1.00 61.34 H new ATOM 0 HG12 ILE A 460 -7.809 -19.891 -5.691 1.00 30.22 H new ATOM 0 HG13 ILE A 460 -8.760 -18.462 -6.045 1.00 30.22 H new ATOM 0 HG21 ILE A 460 -7.735 -19.465 -2.609 1.00 2.42 H new ATOM 0 HG22 ILE A 460 -9.236 -20.341 -2.229 1.00 2.42 H new ATOM 0 HG23 ILE A 460 -8.074 -21.029 -3.387 1.00 2.42 H new ATOM 0 HD11 ILE A 460 -6.427 -17.873 -5.597 1.00 64.24 H new ATOM 0 HD12 ILE A 460 -7.494 -17.183 -4.351 1.00 64.24 H new ATOM 0 HD13 ILE A 460 -6.528 -18.634 -3.991 1.00 64.24 H new ATOM 924 N ILE A 461 -12.260 -19.775 -3.326 1.00 73.54 N ATOM 925 CA ILE A 461 -13.310 -20.050 -2.339 1.00 54.10 C ATOM 926 C ILE A 461 -14.139 -21.259 -2.799 1.00 43.25 C ATOM 927 O ILE A 461 -14.533 -22.107 -1.996 1.00 51.43 O ATOM 928 CB ILE A 461 -14.248 -18.814 -2.133 1.00 51.03 C ATOM 929 CG1 ILE A 461 -13.447 -17.578 -1.676 1.00 31.34 C ATOM 930 CG2 ILE A 461 -15.364 -19.120 -1.139 1.00 22.01 C ATOM 931 CD1 ILE A 461 -12.681 -17.761 -0.377 1.00 33.24 C ATOM 0 H ILE A 461 -12.295 -18.834 -3.719 1.00 73.54 H new ATOM 0 HA ILE A 461 -12.830 -20.266 -1.385 1.00 54.10 H new ATOM 0 HB ILE A 461 -14.705 -18.591 -3.097 1.00 51.03 H new ATOM 0 HG12 ILE A 461 -12.742 -17.308 -2.462 1.00 31.34 H new ATOM 0 HG13 ILE A 461 -14.134 -16.739 -1.562 1.00 31.34 H new ATOM 0 HG21 ILE A 461 -15.996 -18.240 -1.020 1.00 22.01 H new ATOM 0 HG22 ILE A 461 -15.964 -19.951 -1.510 1.00 22.01 H new ATOM 0 HG23 ILE A 461 -14.930 -19.388 -0.176 1.00 22.01 H new ATOM 0 HD11 ILE A 461 -12.149 -16.841 -0.136 1.00 33.24 H new ATOM 0 HD12 ILE A 461 -13.378 -17.998 0.426 1.00 33.24 H new ATOM 0 HD13 ILE A 461 -11.965 -18.576 -0.488 1.00 33.24 H new ATOM 943 N CYS A 462 -14.361 -21.337 -4.101 1.00 54.13 N ATOM 944 CA CYS A 462 -15.073 -22.450 -4.701 1.00 44.04 C ATOM 945 C CYS A 462 -14.278 -23.756 -4.517 1.00 54.44 C ATOM 946 O CYS A 462 -14.854 -24.816 -4.267 1.00 72.50 O ATOM 947 CB CYS A 462 -15.312 -22.178 -6.183 1.00 43.52 C ATOM 948 SG CYS A 462 -16.224 -20.651 -6.514 1.00 3.11 S ATOM 0 H CYS A 462 -14.053 -20.631 -4.770 1.00 54.13 H new ATOM 0 HA CYS A 462 -16.037 -22.560 -4.204 1.00 44.04 H new ATOM 0 HB2 CYS A 462 -14.350 -22.132 -6.693 1.00 43.52 H new ATOM 0 HB3 CYS A 462 -15.860 -23.017 -6.612 1.00 43.52 H new ATOM 0 HG CYS A 462 -15.521 -19.631 -6.119 1.00 3.11 H new ATOM 954 N GLN A 463 -12.959 -23.666 -4.621 1.00 32.31 N ATOM 955 CA GLN A 463 -12.079 -24.812 -4.423 1.00 73.14 C ATOM 956 C GLN A 463 -12.147 -25.261 -2.959 1.00 63.21 C ATOM 957 O GLN A 463 -12.226 -26.464 -2.661 1.00 23.02 O ATOM 958 CB GLN A 463 -10.636 -24.464 -4.835 1.00 21.12 C ATOM 959 CG GLN A 463 -9.630 -25.588 -4.633 1.00 24.34 C ATOM 960 CD GLN A 463 -9.966 -26.844 -5.425 1.00 32.44 C ATOM 961 OE1 GLN A 463 -10.680 -27.730 -4.942 1.00 34.35 O ATOM 962 NE2 GLN A 463 -9.442 -26.946 -6.618 1.00 72.34 N ATOM 0 H GLN A 463 -12.469 -22.800 -4.844 1.00 32.31 H new ATOM 0 HA GLN A 463 -12.410 -25.636 -5.055 1.00 73.14 H new ATOM 0 HB2 GLN A 463 -10.632 -24.175 -5.886 1.00 21.12 H new ATOM 0 HB3 GLN A 463 -10.309 -23.595 -4.264 1.00 21.12 H new ATOM 0 HG2 GLN A 463 -8.640 -25.237 -4.924 1.00 24.34 H new ATOM 0 HG3 GLN A 463 -9.581 -25.837 -3.573 1.00 24.34 H new ATOM 0 HE21 GLN A 463 -8.858 -26.195 -6.984 1.00 72.34 H new ATOM 0 HE22 GLN A 463 -9.618 -27.777 -7.183 1.00 72.34 H new ATOM 971 N LEU A 464 -12.156 -24.283 -2.053 1.00 72.12 N ATOM 972 CA LEU A 464 -12.317 -24.527 -0.616 1.00 14.31 C ATOM 973 C LEU A 464 -13.561 -25.329 -0.293 1.00 12.30 C ATOM 974 O LEU A 464 -13.608 -25.997 0.719 1.00 34.25 O ATOM 975 CB LEU A 464 -12.316 -23.227 0.200 1.00 4.42 C ATOM 976 CG LEU A 464 -10.958 -22.649 0.638 1.00 2.51 C ATOM 977 CD1 LEU A 464 -10.025 -22.418 -0.526 1.00 2.15 C ATOM 978 CD2 LEU A 464 -11.177 -21.360 1.406 1.00 62.14 C ATOM 0 H LEU A 464 -12.052 -23.297 -2.293 1.00 72.12 H new ATOM 0 HA LEU A 464 -11.448 -25.119 -0.329 1.00 14.31 H new ATOM 0 HB2 LEU A 464 -12.830 -22.465 -0.386 1.00 4.42 H new ATOM 0 HB3 LEU A 464 -12.912 -23.395 1.097 1.00 4.42 H new ATOM 0 HG LEU A 464 -10.479 -23.386 1.283 1.00 2.51 H new ATOM 0 HD11 LEU A 464 -9.082 -22.010 -0.161 1.00 2.15 H new ATOM 0 HD12 LEU A 464 -9.838 -23.363 -1.036 1.00 2.15 H new ATOM 0 HD13 LEU A 464 -10.480 -21.714 -1.223 1.00 2.15 H new ATOM 0 HD21 LEU A 464 -10.214 -20.953 1.715 1.00 62.14 H new ATOM 0 HD22 LEU A 464 -11.688 -20.639 0.768 1.00 62.14 H new ATOM 0 HD23 LEU A 464 -11.786 -21.561 2.287 1.00 62.14 H new ATOM 990 N ARG A 465 -14.561 -25.282 -1.162 1.00 43.14 N ATOM 991 CA ARG A 465 -15.790 -26.016 -0.921 1.00 64.31 C ATOM 992 C ARG A 465 -15.553 -27.527 -0.979 1.00 1.31 C ATOM 993 O ARG A 465 -16.313 -28.307 -0.400 1.00 14.13 O ATOM 994 CB ARG A 465 -16.904 -25.597 -1.888 1.00 15.22 C ATOM 995 CG ARG A 465 -17.212 -24.101 -1.867 1.00 33.43 C ATOM 996 CD ARG A 465 -17.492 -23.603 -0.457 1.00 35.22 C ATOM 997 NE ARG A 465 -17.835 -22.184 -0.435 1.00 40.02 N ATOM 998 CZ ARG A 465 -17.773 -21.392 0.644 1.00 71.42 C ATOM 999 NH1 ARG A 465 -17.278 -21.853 1.795 1.00 25.31 N ATOM 1000 NH2 ARG A 465 -18.179 -20.136 0.562 1.00 51.41 N ATOM 0 H ARG A 465 -14.544 -24.748 -2.031 1.00 43.14 H new ATOM 0 HA ARG A 465 -16.122 -25.765 0.086 1.00 64.31 H new ATOM 0 HB2 ARG A 465 -16.620 -25.885 -2.900 1.00 15.22 H new ATOM 0 HB3 ARG A 465 -17.812 -26.148 -1.642 1.00 15.22 H new ATOM 0 HG2 ARG A 465 -16.370 -23.550 -2.287 1.00 33.43 H new ATOM 0 HG3 ARG A 465 -18.074 -23.898 -2.502 1.00 33.43 H new ATOM 0 HD2 ARG A 465 -18.309 -24.180 -0.025 1.00 35.22 H new ATOM 0 HD3 ARG A 465 -16.616 -23.774 0.168 1.00 35.22 H new ATOM 0 HE ARG A 465 -18.146 -21.762 -1.310 1.00 40.02 H new ATOM 0 HH11 ARG A 465 -16.944 -22.815 1.858 1.00 25.31 H new ATOM 0 HH12 ARG A 465 -17.234 -21.244 2.612 1.00 25.31 H new ATOM 0 HH21 ARG A 465 -18.538 -19.773 -0.321 1.00 51.41 H new ATOM 0 HH22 ARG A 465 -18.133 -19.531 1.382 1.00 51.41 H new ATOM 1014 N SER A 466 -14.496 -27.934 -1.652 1.00 4.02 N ATOM 1015 CA SER A 466 -14.120 -29.333 -1.699 1.00 20.14 C ATOM 1016 C SER A 466 -13.235 -29.644 -0.490 1.00 43.15 C ATOM 1017 O SER A 466 -13.366 -30.689 0.149 1.00 10.25 O ATOM 1018 CB SER A 466 -13.373 -29.631 -2.997 1.00 25.15 C ATOM 1019 OG SER A 466 -14.159 -29.269 -4.126 1.00 21.12 O ATOM 0 H SER A 466 -13.880 -27.313 -2.176 1.00 4.02 H new ATOM 0 HA SER A 466 -15.012 -29.959 -1.669 1.00 20.14 H new ATOM 0 HB2 SER A 466 -12.431 -29.084 -3.014 1.00 25.15 H new ATOM 0 HB3 SER A 466 -13.126 -30.692 -3.045 1.00 25.15 H new ATOM 0 HG SER A 466 -13.662 -29.466 -4.947 1.00 21.12 H new ATOM 1025 N GLN A 467 -12.366 -28.692 -0.170 1.00 14.11 N ATOM 1026 CA GLN A 467 -11.431 -28.782 0.952 1.00 72.50 C ATOM 1027 C GLN A 467 -12.184 -28.860 2.285 1.00 60.21 C ATOM 1028 O GLN A 467 -11.818 -29.623 3.182 1.00 72.05 O ATOM 1029 CB GLN A 467 -10.516 -27.539 0.936 1.00 2.03 C ATOM 1030 CG GLN A 467 -9.507 -27.442 2.075 1.00 10.22 C ATOM 1031 CD GLN A 467 -8.543 -28.604 2.114 1.00 74.35 C ATOM 1032 OE1 GLN A 467 -8.793 -29.616 2.770 1.00 32.12 O ATOM 1033 NE2 GLN A 467 -7.437 -28.474 1.434 1.00 4.04 N ATOM 0 H GLN A 467 -12.288 -27.819 -0.691 1.00 14.11 H new ATOM 0 HA GLN A 467 -10.834 -29.688 0.849 1.00 72.50 H new ATOM 0 HB2 GLN A 467 -9.972 -27.524 -0.008 1.00 2.03 H new ATOM 0 HB3 GLN A 467 -11.144 -26.649 0.956 1.00 2.03 H new ATOM 0 HG2 GLN A 467 -8.944 -26.514 1.975 1.00 10.22 H new ATOM 0 HG3 GLN A 467 -10.042 -27.390 3.023 1.00 10.22 H new ATOM 0 HE21 GLN A 467 -7.263 -27.622 0.902 1.00 4.04 H new ATOM 0 HE22 GLN A 467 -6.747 -29.225 1.435 1.00 4.04 H new ATOM 1042 N GLU A 468 -13.228 -28.079 2.389 1.00 72.11 N ATOM 1043 CA GLU A 468 -14.014 -27.977 3.599 1.00 73.32 C ATOM 1044 C GLU A 468 -14.926 -29.191 3.753 1.00 70.53 C ATOM 1045 O GLU A 468 -15.304 -29.543 4.865 1.00 21.42 O ATOM 1046 CB GLU A 468 -14.890 -26.722 3.521 1.00 45.55 C ATOM 1047 CG GLU A 468 -15.551 -26.331 4.826 1.00 1.50 C ATOM 1048 CD GLU A 468 -14.539 -25.844 5.823 1.00 51.40 C ATOM 1049 OE1 GLU A 468 -14.282 -24.619 5.858 1.00 61.20 O ATOM 1050 OE2 GLU A 468 -13.960 -26.658 6.562 1.00 22.21 O ATOM 0 H GLU A 468 -13.563 -27.487 1.629 1.00 72.11 H new ATOM 0 HA GLU A 468 -13.336 -27.926 4.451 1.00 73.32 H new ATOM 0 HB2 GLU A 468 -14.278 -25.889 3.175 1.00 45.55 H new ATOM 0 HB3 GLU A 468 -15.664 -26.882 2.771 1.00 45.55 H new ATOM 0 HG2 GLU A 468 -16.290 -25.551 4.643 1.00 1.50 H new ATOM 0 HG3 GLU A 468 -16.087 -27.187 5.236 1.00 1.50 H new ATOM 1057 N LYS A 469 -15.229 -29.842 2.619 1.00 44.23 N ATOM 1058 CA LYS A 469 -16.206 -30.929 2.540 1.00 64.42 C ATOM 1059 C LYS A 469 -17.621 -30.408 2.752 1.00 3.52 C ATOM 1060 O LYS A 469 -18.001 -30.000 3.852 1.00 72.21 O ATOM 1061 CB LYS A 469 -15.871 -32.099 3.476 1.00 4.00 C ATOM 1062 CG LYS A 469 -14.572 -32.759 3.139 1.00 54.41 C ATOM 1063 CD LYS A 469 -14.265 -33.898 4.072 1.00 72.44 C ATOM 1064 CE LYS A 469 -12.991 -34.549 3.648 1.00 10.41 C ATOM 1065 NZ LYS A 469 -12.617 -35.696 4.500 1.00 0.23 N ATOM 0 H LYS A 469 -14.795 -29.622 1.723 1.00 44.23 H new ATOM 0 HA LYS A 469 -16.151 -31.335 1.530 1.00 64.42 H new ATOM 0 HB2 LYS A 469 -15.833 -31.737 4.503 1.00 4.00 H new ATOM 0 HB3 LYS A 469 -16.671 -32.837 3.428 1.00 4.00 H new ATOM 0 HG2 LYS A 469 -14.607 -33.128 2.114 1.00 54.41 H new ATOM 0 HG3 LYS A 469 -13.768 -32.024 3.186 1.00 54.41 H new ATOM 0 HD2 LYS A 469 -14.178 -33.532 5.095 1.00 72.44 H new ATOM 0 HD3 LYS A 469 -15.079 -34.623 4.061 1.00 72.44 H new ATOM 0 HE2 LYS A 469 -13.088 -34.886 2.616 1.00 10.41 H new ATOM 0 HE3 LYS A 469 -12.188 -33.812 3.668 1.00 10.41 H new ATOM 0 HZ1 LYS A 469 -11.725 -36.107 4.157 1.00 0.23 H new ATOM 0 HZ2 LYS A 469 -12.495 -35.374 5.481 1.00 0.23 H new ATOM 0 HZ3 LYS A 469 -13.367 -36.416 4.462 1.00 0.23 H new ATOM 1079 N CYS A 470 -18.380 -30.395 1.694 1.00 50.14 N ATOM 1080 CA CYS A 470 -19.730 -29.891 1.735 1.00 40.33 C ATOM 1081 C CYS A 470 -20.711 -31.003 1.396 1.00 44.33 C ATOM 1082 O CYS A 470 -20.306 -32.122 1.046 1.00 62.53 O ATOM 1083 CB CYS A 470 -19.879 -28.719 0.757 1.00 11.51 C ATOM 1084 SG CYS A 470 -18.746 -27.342 1.078 1.00 41.50 S ATOM 0 H CYS A 470 -18.084 -30.732 0.778 1.00 50.14 H new ATOM 0 HA CYS A 470 -19.950 -29.533 2.741 1.00 40.33 H new ATOM 0 HB2 CYS A 470 -19.714 -29.083 -0.257 1.00 11.51 H new ATOM 0 HB3 CYS A 470 -20.904 -28.351 0.801 1.00 11.51 H new ATOM 0 HG CYS A 470 -17.561 -27.642 0.635 1.00 41.50 H new ATOM 1090 N PHE A 471 -21.976 -30.721 1.512 1.00 43.34 N ATOM 1091 CA PHE A 471 -22.985 -31.684 1.191 1.00 73.43 C ATOM 1092 C PHE A 471 -23.440 -31.414 -0.244 1.00 53.14 C ATOM 1093 O PHE A 471 -23.685 -30.271 -0.610 1.00 41.20 O ATOM 1094 CB PHE A 471 -24.146 -31.566 2.198 1.00 4.34 C ATOM 1095 CG PHE A 471 -25.151 -32.686 2.144 1.00 61.22 C ATOM 1096 CD1 PHE A 471 -26.349 -32.539 1.482 1.00 33.23 C ATOM 1097 CD2 PHE A 471 -24.886 -33.887 2.770 1.00 60.30 C ATOM 1098 CE1 PHE A 471 -27.270 -33.571 1.442 1.00 12.35 C ATOM 1099 CE2 PHE A 471 -25.800 -34.919 2.733 1.00 23.43 C ATOM 1100 CZ PHE A 471 -26.993 -34.760 2.069 1.00 5.12 C ATOM 0 H PHE A 471 -22.335 -29.821 1.830 1.00 43.34 H new ATOM 0 HA PHE A 471 -22.604 -32.703 1.258 1.00 73.43 H new ATOM 0 HB2 PHE A 471 -23.731 -31.519 3.205 1.00 4.34 H new ATOM 0 HB3 PHE A 471 -24.665 -30.624 2.023 1.00 4.34 H new ATOM 0 HD1 PHE A 471 -26.573 -31.606 0.987 1.00 33.23 H new ATOM 0 HD2 PHE A 471 -23.952 -34.020 3.295 1.00 60.30 H new ATOM 0 HE1 PHE A 471 -28.205 -33.441 0.918 1.00 12.35 H new ATOM 0 HE2 PHE A 471 -25.578 -35.854 3.227 1.00 23.43 H new ATOM 0 HZ PHE A 471 -27.710 -35.568 2.041 1.00 5.12 H new ATOM 1110 N LEU A 472 -23.519 -32.454 -1.054 1.00 13.30 N ATOM 1111 CA LEU A 472 -23.866 -32.317 -2.483 1.00 10.13 C ATOM 1112 C LEU A 472 -25.337 -31.978 -2.695 1.00 12.41 C ATOM 1113 O LEU A 472 -25.725 -31.504 -3.760 1.00 33.31 O ATOM 1114 CB LEU A 472 -23.476 -33.576 -3.309 1.00 33.12 C ATOM 1115 CG LEU A 472 -21.964 -33.885 -3.503 1.00 53.14 C ATOM 1116 CD1 LEU A 472 -21.246 -32.727 -4.170 1.00 52.13 C ATOM 1117 CD2 LEU A 472 -21.275 -34.278 -2.203 1.00 53.40 C ATOM 0 H LEU A 472 -23.349 -33.415 -0.757 1.00 13.30 H new ATOM 0 HA LEU A 472 -23.275 -31.478 -2.850 1.00 10.13 H new ATOM 0 HB2 LEU A 472 -23.935 -34.442 -2.833 1.00 33.12 H new ATOM 0 HB3 LEU A 472 -23.926 -33.479 -4.297 1.00 33.12 H new ATOM 0 HG LEU A 472 -21.907 -34.749 -4.165 1.00 53.14 H new ATOM 0 HD11 LEU A 472 -20.191 -32.974 -4.291 1.00 52.13 H new ATOM 0 HD12 LEU A 472 -21.689 -32.539 -5.148 1.00 52.13 H new ATOM 0 HD13 LEU A 472 -21.341 -31.835 -3.551 1.00 52.13 H new ATOM 0 HD21 LEU A 472 -20.222 -34.483 -2.397 1.00 53.40 H new ATOM 0 HD22 LEU A 472 -21.360 -33.462 -1.485 1.00 53.40 H new ATOM 0 HD23 LEU A 472 -21.749 -35.171 -1.795 1.00 53.40 H new ATOM 1129 N PHE A 473 -26.140 -32.239 -1.681 1.00 4.52 N ATOM 1130 CA PHE A 473 -27.573 -31.970 -1.685 1.00 75.33 C ATOM 1131 C PHE A 473 -28.320 -32.882 -2.626 1.00 60.01 C ATOM 1132 O PHE A 473 -28.562 -32.561 -3.786 1.00 1.53 O ATOM 1133 CB PHE A 473 -27.932 -30.480 -1.902 1.00 71.14 C ATOM 1134 CG PHE A 473 -27.365 -29.573 -0.845 1.00 55.10 C ATOM 1135 CD1 PHE A 473 -26.357 -28.677 -1.146 1.00 51.41 C ATOM 1136 CD2 PHE A 473 -27.832 -29.636 0.455 1.00 61.31 C ATOM 1137 CE1 PHE A 473 -25.824 -27.858 -0.169 1.00 20.51 C ATOM 1138 CE2 PHE A 473 -27.304 -28.822 1.432 1.00 52.20 C ATOM 1139 CZ PHE A 473 -26.299 -27.932 1.119 1.00 4.42 C ATOM 0 H PHE A 473 -25.810 -32.654 -0.809 1.00 4.52 H new ATOM 0 HA PHE A 473 -27.912 -32.200 -0.675 1.00 75.33 H new ATOM 0 HB2 PHE A 473 -27.565 -30.163 -2.878 1.00 71.14 H new ATOM 0 HB3 PHE A 473 -29.017 -30.373 -1.919 1.00 71.14 H new ATOM 0 HD1 PHE A 473 -25.981 -28.616 -2.157 1.00 51.41 H new ATOM 0 HD2 PHE A 473 -28.619 -30.331 0.707 1.00 61.31 H new ATOM 0 HE1 PHE A 473 -25.036 -27.162 -0.417 1.00 20.51 H new ATOM 0 HE2 PHE A 473 -27.677 -28.881 2.444 1.00 52.20 H new ATOM 0 HZ PHE A 473 -25.885 -27.293 1.885 1.00 4.42 H new ATOM 1149 N TRP A 474 -28.598 -34.052 -2.134 1.00 51.20 N ATOM 1150 CA TRP A 474 -29.372 -35.040 -2.864 1.00 32.55 C ATOM 1151 C TRP A 474 -30.673 -35.329 -2.131 1.00 65.44 C ATOM 1152 O TRP A 474 -31.519 -36.093 -2.600 1.00 62.22 O ATOM 1153 CB TRP A 474 -28.551 -36.326 -3.088 1.00 12.32 C ATOM 1154 CG TRP A 474 -27.963 -36.918 -1.831 1.00 34.13 C ATOM 1155 CD1 TRP A 474 -26.730 -36.654 -1.316 1.00 62.11 C ATOM 1156 CD2 TRP A 474 -28.571 -37.870 -0.941 1.00 32.43 C ATOM 1157 NE1 TRP A 474 -26.536 -37.367 -0.168 1.00 25.23 N ATOM 1158 CE2 TRP A 474 -27.646 -38.124 0.087 1.00 72.41 C ATOM 1159 CE3 TRP A 474 -29.806 -38.527 -0.911 1.00 62.25 C ATOM 1160 CZ2 TRP A 474 -27.913 -39.004 1.130 1.00 64.13 C ATOM 1161 CZ3 TRP A 474 -30.069 -39.401 0.124 1.00 2.20 C ATOM 1162 CH2 TRP A 474 -29.127 -39.632 1.132 1.00 12.42 C ATOM 0 H TRP A 474 -28.297 -34.360 -1.209 1.00 51.20 H new ATOM 0 HA TRP A 474 -29.618 -34.638 -3.847 1.00 32.55 H new ATOM 0 HB2 TRP A 474 -29.189 -37.072 -3.562 1.00 12.32 H new ATOM 0 HB3 TRP A 474 -27.742 -36.109 -3.786 1.00 12.32 H new ATOM 0 HD1 TRP A 474 -26.010 -35.978 -1.753 1.00 62.11 H new ATOM 0 HE1 TRP A 474 -25.695 -37.339 0.409 1.00 25.23 H new ATOM 0 HE3 TRP A 474 -30.540 -38.353 -1.684 1.00 62.25 H new ATOM 0 HZ2 TRP A 474 -27.188 -39.185 1.910 1.00 64.13 H new ATOM 0 HZ3 TRP A 474 -31.018 -39.915 0.156 1.00 2.20 H new ATOM 0 HH2 TRP A 474 -29.364 -40.321 1.929 1.00 12.42 H new ATOM 1173 N SER A 475 -30.825 -34.709 -0.992 1.00 65.22 N ATOM 1174 CA SER A 475 -31.981 -34.857 -0.182 1.00 63.20 C ATOM 1175 C SER A 475 -32.908 -33.636 -0.334 1.00 21.54 C ATOM 1176 O SER A 475 -32.750 -32.645 0.401 1.00 37.73 O ATOM 1177 CB SER A 475 -31.531 -35.097 1.263 1.00 1.50 C ATOM 1178 OG SER A 475 -30.502 -34.176 1.633 1.00 33.00 O ATOM 1179 OXT SER A 475 -33.781 -33.656 -1.232 1.00 37.73 O ATOM 0 H SER A 475 -30.127 -34.075 -0.602 1.00 65.22 H new ATOM 0 HA SER A 475 -32.570 -35.717 -0.500 1.00 63.20 H new ATOM 0 HB2 SER A 475 -32.381 -34.989 1.936 1.00 1.50 H new ATOM 0 HB3 SER A 475 -31.167 -36.119 1.371 1.00 1.50 H new ATOM 0 HG SER A 475 -29.628 -34.610 1.546 1.00 33.00 H new TER 1185 SER A 475