USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 418 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 418 GLN : amide:sc= -0.255 K(o=-0.44,f=1.5) USER MOD Set 1.2: A 419 SER OG : rot 180:sc= -0.189 USER MOD Single : A 404 SER OG : rot 12:sc= -1.31 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 164:sc=-0.00404 (180deg=-0.559) USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -0.394 K(o=-0.39,f=-4.4!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 74:sc= 0.487 USER MOD Single : A 463 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.6) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -27.672 28.401 -16.662 1.00 32.21 N ATOM 11 CA SER A 404 -27.492 27.923 -15.322 1.00 20.23 C ATOM 12 C SER A 404 -26.363 28.692 -14.648 1.00 1.05 C ATOM 13 O SER A 404 -25.319 28.919 -15.239 1.00 33.52 O ATOM 14 CB SER A 404 -27.181 26.427 -15.353 1.00 3.13 C ATOM 15 OG SER A 404 -27.069 25.896 -14.053 1.00 55.33 O ATOM 0 HA SER A 404 -28.407 28.080 -14.750 1.00 20.23 H new ATOM 0 HB2 SER A 404 -27.967 25.902 -15.895 1.00 3.13 H new ATOM 0 HB3 SER A 404 -26.252 26.259 -15.897 1.00 3.13 H new ATOM 0 HG SER A 404 -27.399 26.551 -13.403 1.00 55.33 H new ATOM 21 N LYS A 405 -26.604 29.105 -13.436 1.00 63.21 N ATOM 22 CA LYS A 405 -25.664 29.885 -12.646 1.00 52.41 C ATOM 23 C LYS A 405 -24.584 29.013 -12.015 1.00 63.44 C ATOM 24 O LYS A 405 -23.507 29.495 -11.654 1.00 72.45 O ATOM 25 CB LYS A 405 -26.379 30.760 -11.581 1.00 24.32 C ATOM 26 CG LYS A 405 -27.282 31.886 -12.142 1.00 32.05 C ATOM 27 CD LYS A 405 -28.473 31.351 -12.925 1.00 51.11 C ATOM 28 CE LYS A 405 -29.306 32.463 -13.519 1.00 22.34 C ATOM 29 NZ LYS A 405 -30.428 31.932 -14.327 1.00 54.21 N ATOM 0 H LYS A 405 -27.478 28.909 -12.948 1.00 63.21 H new ATOM 0 HA LYS A 405 -25.168 30.564 -13.340 1.00 52.41 H new ATOM 0 HB2 LYS A 405 -26.987 30.111 -10.951 1.00 24.32 H new ATOM 0 HB3 LYS A 405 -25.622 31.211 -10.939 1.00 24.32 H new ATOM 0 HG2 LYS A 405 -27.642 32.502 -11.318 1.00 32.05 H new ATOM 0 HG3 LYS A 405 -26.689 32.533 -12.788 1.00 32.05 H new ATOM 0 HD2 LYS A 405 -28.119 30.698 -13.723 1.00 51.11 H new ATOM 0 HD3 LYS A 405 -29.095 30.743 -12.268 1.00 51.11 H new ATOM 0 HE2 LYS A 405 -29.698 33.091 -12.719 1.00 22.34 H new ATOM 0 HE3 LYS A 405 -28.676 33.097 -14.143 1.00 22.34 H new ATOM 0 HZ1 LYS A 405 -30.978 32.723 -14.719 1.00 54.21 H new ATOM 0 HZ2 LYS A 405 -30.052 31.353 -15.105 1.00 54.21 H new ATOM 0 HZ3 LYS A 405 -31.043 31.347 -13.725 1.00 54.21 H new ATOM 43 N ILE A 406 -24.863 27.737 -11.880 1.00 50.01 N ATOM 44 CA ILE A 406 -23.944 26.839 -11.191 1.00 31.12 C ATOM 45 C ILE A 406 -22.850 26.327 -12.149 1.00 52.01 C ATOM 46 O ILE A 406 -21.770 25.915 -11.716 1.00 12.45 O ATOM 47 CB ILE A 406 -24.717 25.632 -10.545 1.00 3.21 C ATOM 48 CG1 ILE A 406 -23.776 24.726 -9.734 1.00 60.13 C ATOM 49 CG2 ILE A 406 -25.454 24.824 -11.607 1.00 50.40 C ATOM 50 CD1 ILE A 406 -24.464 23.551 -9.063 1.00 23.32 C ATOM 0 H ILE A 406 -25.711 27.293 -12.233 1.00 50.01 H new ATOM 0 HA ILE A 406 -23.462 27.404 -10.393 1.00 31.12 H new ATOM 0 HB ILE A 406 -25.453 26.049 -9.857 1.00 3.21 H new ATOM 0 HG12 ILE A 406 -22.997 24.346 -10.395 1.00 60.13 H new ATOM 0 HG13 ILE A 406 -23.281 25.326 -8.971 1.00 60.13 H new ATOM 0 HG21 ILE A 406 -25.980 23.995 -11.133 1.00 50.40 H new ATOM 0 HG22 ILE A 406 -26.172 25.465 -12.119 1.00 50.40 H new ATOM 0 HG23 ILE A 406 -24.737 24.433 -12.329 1.00 50.40 H new ATOM 0 HD11 ILE A 406 -23.728 22.964 -8.513 1.00 23.32 H new ATOM 0 HD12 ILE A 406 -25.224 23.919 -8.374 1.00 23.32 H new ATOM 0 HD13 ILE A 406 -24.935 22.924 -9.820 1.00 23.32 H new ATOM 62 N GLU A 407 -23.101 26.422 -13.432 1.00 72.42 N ATOM 63 CA GLU A 407 -22.156 25.933 -14.413 1.00 65.31 C ATOM 64 C GLU A 407 -20.915 26.870 -14.540 1.00 54.24 C ATOM 65 O GLU A 407 -19.812 26.481 -14.157 1.00 23.53 O ATOM 66 CB GLU A 407 -22.840 25.677 -15.772 1.00 51.10 C ATOM 67 CG GLU A 407 -23.960 24.660 -15.728 1.00 52.33 C ATOM 68 CD GLU A 407 -23.489 23.302 -15.298 1.00 63.22 C ATOM 69 OE1 GLU A 407 -22.931 22.570 -16.140 1.00 40.51 O ATOM 70 OE2 GLU A 407 -23.694 22.936 -14.130 1.00 13.45 O ATOM 0 H GLU A 407 -23.949 26.832 -13.823 1.00 72.42 H new ATOM 0 HA GLU A 407 -21.782 24.972 -14.059 1.00 65.31 H new ATOM 0 HB2 GLU A 407 -23.237 26.620 -16.148 1.00 51.10 H new ATOM 0 HB3 GLU A 407 -22.088 25.340 -16.485 1.00 51.10 H new ATOM 0 HG2 GLU A 407 -24.734 25.006 -15.042 1.00 52.33 H new ATOM 0 HG3 GLU A 407 -24.418 24.586 -16.714 1.00 52.33 H new ATOM 77 N PRO A 408 -21.076 28.139 -15.025 1.00 24.34 N ATOM 78 CA PRO A 408 -19.939 29.046 -15.236 1.00 1.52 C ATOM 79 C PRO A 408 -19.272 29.503 -13.944 1.00 51.20 C ATOM 80 O PRO A 408 -18.126 29.934 -13.956 1.00 13.34 O ATOM 81 CB PRO A 408 -20.584 30.257 -15.923 1.00 22.43 C ATOM 82 CG PRO A 408 -21.989 30.228 -15.453 1.00 5.24 C ATOM 83 CD PRO A 408 -22.347 28.791 -15.415 1.00 2.13 C ATOM 0 HA PRO A 408 -19.149 28.553 -15.803 1.00 1.52 H new ATOM 0 HB2 PRO A 408 -20.088 31.186 -15.642 1.00 22.43 H new ATOM 0 HB3 PRO A 408 -20.524 30.179 -17.009 1.00 22.43 H new ATOM 0 HG2 PRO A 408 -22.086 30.686 -14.469 1.00 5.24 H new ATOM 0 HG3 PRO A 408 -22.643 30.781 -16.127 1.00 5.24 H new ATOM 0 HD2 PRO A 408 -23.140 28.592 -14.694 1.00 2.13 H new ATOM 0 HD3 PRO A 408 -22.701 28.438 -16.384 1.00 2.13 H new ATOM 91 N VAL A 409 -19.975 29.413 -12.834 1.00 21.44 N ATOM 92 CA VAL A 409 -19.437 29.934 -11.597 1.00 3.13 C ATOM 93 C VAL A 409 -18.731 28.872 -10.759 1.00 40.10 C ATOM 94 O VAL A 409 -17.623 29.111 -10.273 1.00 11.21 O ATOM 95 CB VAL A 409 -20.529 30.648 -10.746 1.00 53.44 C ATOM 96 CG1 VAL A 409 -19.942 31.220 -9.459 1.00 65.41 C ATOM 97 CG2 VAL A 409 -21.194 31.754 -11.555 1.00 0.31 C ATOM 0 H VAL A 409 -20.902 28.993 -12.763 1.00 21.44 H new ATOM 0 HA VAL A 409 -18.687 30.668 -11.892 1.00 3.13 H new ATOM 0 HB VAL A 409 -21.279 29.905 -10.476 1.00 53.44 H new ATOM 0 HG11 VAL A 409 -20.729 31.712 -8.887 1.00 65.41 H new ATOM 0 HG12 VAL A 409 -19.512 30.413 -8.865 1.00 65.41 H new ATOM 0 HG13 VAL A 409 -19.165 31.944 -9.704 1.00 65.41 H new ATOM 0 HG21 VAL A 409 -21.954 32.243 -10.946 1.00 0.31 H new ATOM 0 HG22 VAL A 409 -20.444 32.486 -11.856 1.00 0.31 H new ATOM 0 HG23 VAL A 409 -21.660 31.326 -12.443 1.00 0.31 H new ATOM 107 N VAL A 410 -19.318 27.694 -10.644 1.00 44.11 N ATOM 108 CA VAL A 410 -18.763 26.687 -9.747 1.00 41.22 C ATOM 109 C VAL A 410 -17.607 25.918 -10.366 1.00 61.10 C ATOM 110 O VAL A 410 -16.578 25.767 -9.731 1.00 43.51 O ATOM 111 CB VAL A 410 -19.845 25.721 -9.184 1.00 1.33 C ATOM 112 CG1 VAL A 410 -19.222 24.656 -8.282 1.00 63.12 C ATOM 113 CG2 VAL A 410 -20.888 26.509 -8.410 1.00 72.04 C ATOM 0 H VAL A 410 -20.160 27.412 -11.146 1.00 44.11 H new ATOM 0 HA VAL A 410 -18.359 27.245 -8.902 1.00 41.22 H new ATOM 0 HB VAL A 410 -20.320 25.216 -10.025 1.00 1.33 H new ATOM 0 HG11 VAL A 410 -20.003 23.997 -7.904 1.00 63.12 H new ATOM 0 HG12 VAL A 410 -18.500 24.073 -8.853 1.00 63.12 H new ATOM 0 HG13 VAL A 410 -18.718 25.138 -7.444 1.00 63.12 H new ATOM 0 HG21 VAL A 410 -21.643 25.827 -8.018 1.00 72.04 H new ATOM 0 HG22 VAL A 410 -20.409 27.033 -7.583 1.00 72.04 H new ATOM 0 HG23 VAL A 410 -21.362 27.233 -9.072 1.00 72.04 H new ATOM 123 N LEU A 411 -17.757 25.471 -11.609 1.00 2.11 N ATOM 124 CA LEU A 411 -16.696 24.681 -12.273 1.00 52.32 C ATOM 125 C LEU A 411 -15.294 25.309 -12.204 1.00 53.34 C ATOM 126 O LEU A 411 -14.372 24.653 -11.743 1.00 12.11 O ATOM 127 CB LEU A 411 -17.043 24.234 -13.710 1.00 63.14 C ATOM 128 CG LEU A 411 -18.050 23.068 -13.877 1.00 22.34 C ATOM 129 CD1 LEU A 411 -17.541 21.802 -13.202 1.00 35.21 C ATOM 130 CD2 LEU A 411 -19.432 23.429 -13.360 1.00 54.00 C ATOM 0 H LEU A 411 -18.587 25.633 -12.180 1.00 2.11 H new ATOM 0 HA LEU A 411 -16.655 23.776 -11.667 1.00 52.32 H new ATOM 0 HB2 LEU A 411 -17.438 25.098 -14.244 1.00 63.14 H new ATOM 0 HB3 LEU A 411 -16.115 23.950 -14.206 1.00 63.14 H new ATOM 0 HG LEU A 411 -18.139 22.878 -14.947 1.00 22.34 H new ATOM 0 HD11 LEU A 411 -18.268 21.001 -13.336 1.00 35.21 H new ATOM 0 HD12 LEU A 411 -16.591 21.508 -13.649 1.00 35.21 H new ATOM 0 HD13 LEU A 411 -17.399 21.989 -12.138 1.00 35.21 H new ATOM 0 HD21 LEU A 411 -20.105 22.582 -13.497 1.00 54.00 H new ATOM 0 HD22 LEU A 411 -19.371 23.676 -12.300 1.00 54.00 H new ATOM 0 HD23 LEU A 411 -19.814 24.289 -13.911 1.00 54.00 H new ATOM 142 N PRO A 412 -15.097 26.581 -12.631 1.00 10.31 N ATOM 143 CA PRO A 412 -13.777 27.207 -12.571 1.00 4.02 C ATOM 144 C PRO A 412 -13.206 27.247 -11.139 1.00 32.51 C ATOM 145 O PRO A 412 -12.024 26.965 -10.921 1.00 63.12 O ATOM 146 CB PRO A 412 -14.020 28.627 -13.081 1.00 72.31 C ATOM 147 CG PRO A 412 -15.254 28.525 -13.898 1.00 44.41 C ATOM 148 CD PRO A 412 -16.099 27.489 -13.226 1.00 3.33 C ATOM 0 HA PRO A 412 -13.046 26.650 -13.157 1.00 4.02 H new ATOM 0 HB2 PRO A 412 -14.147 29.328 -12.256 1.00 72.31 H new ATOM 0 HB3 PRO A 412 -13.179 28.984 -13.676 1.00 72.31 H new ATOM 0 HG2 PRO A 412 -15.772 29.483 -13.946 1.00 44.41 H new ATOM 0 HG3 PRO A 412 -15.022 28.237 -14.923 1.00 44.41 H new ATOM 0 HD2 PRO A 412 -16.748 27.927 -12.468 1.00 3.33 H new ATOM 0 HD3 PRO A 412 -16.743 26.970 -13.936 1.00 3.33 H new ATOM 156 N LEU A 413 -14.059 27.571 -10.177 1.00 25.10 N ATOM 157 CA LEU A 413 -13.647 27.704 -8.788 1.00 74.24 C ATOM 158 C LEU A 413 -13.426 26.359 -8.108 1.00 44.41 C ATOM 159 O LEU A 413 -12.606 26.247 -7.195 1.00 22.14 O ATOM 160 CB LEU A 413 -14.665 28.521 -8.011 1.00 14.31 C ATOM 161 CG LEU A 413 -14.901 29.940 -8.526 1.00 15.52 C ATOM 162 CD1 LEU A 413 -15.868 30.656 -7.629 1.00 5.22 C ATOM 163 CD2 LEU A 413 -13.591 30.717 -8.645 1.00 12.51 C ATOM 0 H LEU A 413 -15.051 27.748 -10.337 1.00 25.10 H new ATOM 0 HA LEU A 413 -12.688 28.222 -8.792 1.00 74.24 H new ATOM 0 HB2 LEU A 413 -15.615 27.988 -8.019 1.00 14.31 H new ATOM 0 HB3 LEU A 413 -14.341 28.580 -6.972 1.00 14.31 H new ATOM 0 HG LEU A 413 -15.330 29.874 -9.526 1.00 15.52 H new ATOM 0 HD11 LEU A 413 -16.031 31.667 -8.003 1.00 5.22 H new ATOM 0 HD12 LEU A 413 -16.816 30.118 -7.613 1.00 5.22 H new ATOM 0 HD13 LEU A 413 -15.460 30.704 -6.619 1.00 5.22 H new ATOM 0 HD21 LEU A 413 -13.796 31.722 -9.014 1.00 12.51 H new ATOM 0 HD22 LEU A 413 -13.115 30.780 -7.666 1.00 12.51 H new ATOM 0 HD23 LEU A 413 -12.926 30.204 -9.340 1.00 12.51 H new ATOM 175 N LEU A 414 -14.132 25.336 -8.586 1.00 20.31 N ATOM 176 CA LEU A 414 -14.118 23.998 -7.996 1.00 13.33 C ATOM 177 C LEU A 414 -12.707 23.431 -7.894 1.00 15.42 C ATOM 178 O LEU A 414 -12.349 22.846 -6.888 1.00 41.03 O ATOM 179 CB LEU A 414 -15.025 23.051 -8.798 1.00 14.22 C ATOM 180 CG LEU A 414 -15.129 21.607 -8.293 1.00 14.54 C ATOM 181 CD1 LEU A 414 -15.714 21.558 -6.883 1.00 4.41 C ATOM 182 CD2 LEU A 414 -15.957 20.764 -9.250 1.00 41.23 C ATOM 0 H LEU A 414 -14.737 25.413 -9.403 1.00 20.31 H new ATOM 0 HA LEU A 414 -14.504 24.085 -6.980 1.00 13.33 H new ATOM 0 HB2 LEU A 414 -16.028 23.477 -8.820 1.00 14.22 H new ATOM 0 HB3 LEU A 414 -14.667 23.027 -9.827 1.00 14.22 H new ATOM 0 HG LEU A 414 -14.122 21.191 -8.251 1.00 14.54 H new ATOM 0 HD11 LEU A 414 -15.776 20.522 -6.551 1.00 4.41 H new ATOM 0 HD12 LEU A 414 -15.073 22.119 -6.203 1.00 4.41 H new ATOM 0 HD13 LEU A 414 -16.711 21.998 -6.887 1.00 4.41 H new ATOM 0 HD21 LEU A 414 -16.019 19.743 -8.874 1.00 41.23 H new ATOM 0 HD22 LEU A 414 -16.960 21.183 -9.330 1.00 41.23 H new ATOM 0 HD23 LEU A 414 -15.486 20.761 -10.233 1.00 41.23 H new ATOM 194 N TRP A 415 -11.904 23.629 -8.920 1.00 53.23 N ATOM 195 CA TRP A 415 -10.532 23.141 -8.892 1.00 44.30 C ATOM 196 C TRP A 415 -9.668 23.804 -7.815 1.00 21.22 C ATOM 197 O TRP A 415 -8.759 23.175 -7.275 1.00 70.43 O ATOM 198 CB TRP A 415 -9.872 23.141 -10.275 1.00 30.00 C ATOM 199 CG TRP A 415 -10.206 21.910 -11.088 1.00 24.23 C ATOM 200 CD1 TRP A 415 -9.353 20.888 -11.381 1.00 31.10 C ATOM 201 CD2 TRP A 415 -11.470 21.549 -11.678 1.00 10.23 C ATOM 202 NE1 TRP A 415 -9.992 19.933 -12.122 1.00 72.51 N ATOM 203 CE2 TRP A 415 -11.289 20.307 -12.317 1.00 43.23 C ATOM 204 CE3 TRP A 415 -12.723 22.145 -11.734 1.00 30.01 C ATOM 205 CZ2 TRP A 415 -12.317 19.657 -12.998 1.00 25.10 C ATOM 206 CZ3 TRP A 415 -13.743 21.501 -12.408 1.00 22.20 C ATOM 207 CH2 TRP A 415 -13.533 20.269 -13.031 1.00 50.33 C ATOM 0 H TRP A 415 -12.169 24.118 -9.775 1.00 53.23 H new ATOM 0 HA TRP A 415 -10.604 22.095 -8.594 1.00 44.30 H new ATOM 0 HB2 TRP A 415 -10.189 24.029 -10.823 1.00 30.00 H new ATOM 0 HB3 TRP A 415 -8.791 23.209 -10.156 1.00 30.00 H new ATOM 0 HD1 TRP A 415 -8.319 20.839 -11.072 1.00 31.10 H new ATOM 0 HE1 TRP A 415 -9.566 19.076 -12.474 1.00 72.51 H new ATOM 0 HE3 TRP A 415 -12.898 23.098 -11.258 1.00 30.01 H new ATOM 0 HZ2 TRP A 415 -12.155 18.705 -13.481 1.00 25.10 H new ATOM 0 HZ3 TRP A 415 -14.720 21.959 -12.454 1.00 22.20 H new ATOM 0 HH2 TRP A 415 -14.352 19.792 -13.549 1.00 50.33 H new ATOM 218 N PHE A 416 -9.939 25.052 -7.503 1.00 31.23 N ATOM 219 CA PHE A 416 -9.224 25.726 -6.424 1.00 3.32 C ATOM 220 C PHE A 416 -9.741 25.231 -5.074 1.00 2.14 C ATOM 221 O PHE A 416 -8.983 25.011 -4.125 1.00 13.02 O ATOM 222 CB PHE A 416 -9.380 27.251 -6.516 1.00 45.24 C ATOM 223 CG PHE A 416 -8.839 27.859 -7.780 1.00 14.12 C ATOM 224 CD1 PHE A 416 -9.684 28.176 -8.830 1.00 15.14 C ATOM 225 CD2 PHE A 416 -7.485 28.115 -7.916 1.00 44.25 C ATOM 226 CE1 PHE A 416 -9.194 28.739 -9.989 1.00 55.43 C ATOM 227 CE2 PHE A 416 -6.985 28.678 -9.077 1.00 74.11 C ATOM 228 CZ PHE A 416 -7.844 28.989 -10.114 1.00 63.35 C ATOM 0 H PHE A 416 -10.642 25.623 -7.972 1.00 31.23 H new ATOM 0 HA PHE A 416 -8.164 25.490 -6.520 1.00 3.32 H new ATOM 0 HB2 PHE A 416 -10.438 27.501 -6.432 1.00 45.24 H new ATOM 0 HB3 PHE A 416 -8.876 27.707 -5.664 1.00 45.24 H new ATOM 0 HD1 PHE A 416 -10.742 27.979 -8.740 1.00 15.14 H new ATOM 0 HD2 PHE A 416 -6.812 27.873 -7.107 1.00 44.25 H new ATOM 0 HE1 PHE A 416 -9.867 28.984 -10.798 1.00 55.43 H new ATOM 0 HE2 PHE A 416 -5.927 28.874 -9.172 1.00 74.11 H new ATOM 0 HZ PHE A 416 -7.458 29.428 -11.022 1.00 63.35 H new ATOM 238 N GLU A 417 -11.040 25.029 -5.026 1.00 52.21 N ATOM 239 CA GLU A 417 -11.749 24.678 -3.817 1.00 34.52 C ATOM 240 C GLU A 417 -11.514 23.222 -3.411 1.00 1.45 C ATOM 241 O GLU A 417 -11.477 22.901 -2.216 1.00 10.04 O ATOM 242 CB GLU A 417 -13.241 24.938 -4.023 1.00 51.32 C ATOM 243 CG GLU A 417 -14.090 24.703 -2.791 1.00 62.14 C ATOM 244 CD GLU A 417 -15.544 24.994 -3.021 1.00 71.01 C ATOM 245 OE1 GLU A 417 -16.305 24.066 -3.309 1.00 45.13 O ATOM 246 OE2 GLU A 417 -15.952 26.156 -2.892 1.00 32.12 O ATOM 0 H GLU A 417 -11.644 25.106 -5.844 1.00 52.21 H new ATOM 0 HA GLU A 417 -11.368 25.297 -3.005 1.00 34.52 H new ATOM 0 HB2 GLU A 417 -13.376 25.968 -4.352 1.00 51.32 H new ATOM 0 HB3 GLU A 417 -13.602 24.296 -4.827 1.00 51.32 H new ATOM 0 HG2 GLU A 417 -13.978 23.667 -2.471 1.00 62.14 H new ATOM 0 HG3 GLU A 417 -13.723 25.330 -1.978 1.00 62.14 H new ATOM 253 N GLN A 418 -11.320 22.354 -4.400 1.00 12.32 N ATOM 254 CA GLN A 418 -11.165 20.912 -4.177 1.00 61.02 C ATOM 255 C GLN A 418 -9.983 20.527 -3.275 1.00 52.32 C ATOM 256 O GLN A 418 -9.903 19.400 -2.797 1.00 35.53 O ATOM 257 CB GLN A 418 -11.241 20.099 -5.506 1.00 4.04 C ATOM 258 CG GLN A 418 -10.188 20.384 -6.595 1.00 23.42 C ATOM 259 CD GLN A 418 -8.805 19.821 -6.316 1.00 11.32 C ATOM 260 OE1 GLN A 418 -8.513 18.685 -6.672 1.00 42.40 O ATOM 261 NE2 GLN A 418 -7.941 20.604 -5.755 1.00 1.24 N ATOM 0 H GLN A 418 -11.265 22.627 -5.381 1.00 12.32 H new ATOM 0 HA GLN A 418 -12.033 20.614 -3.589 1.00 61.02 H new ATOM 0 HB2 GLN A 418 -11.180 19.041 -5.253 1.00 4.04 H new ATOM 0 HB3 GLN A 418 -12.226 20.266 -5.943 1.00 4.04 H new ATOM 0 HG2 GLN A 418 -10.546 19.976 -7.540 1.00 23.42 H new ATOM 0 HG3 GLN A 418 -10.105 21.463 -6.725 1.00 23.42 H new ATOM 0 HE21 GLN A 418 -8.215 21.544 -5.470 1.00 1.24 H new ATOM 0 HE22 GLN A 418 -6.986 20.281 -5.598 1.00 1.24 H new ATOM 270 N SER A 419 -9.088 21.463 -3.041 1.00 25.05 N ATOM 271 CA SER A 419 -7.954 21.238 -2.176 1.00 15.34 C ATOM 272 C SER A 419 -8.340 21.422 -0.700 1.00 72.30 C ATOM 273 O SER A 419 -7.627 20.963 0.201 1.00 71.40 O ATOM 274 CB SER A 419 -6.846 22.226 -2.529 1.00 20.34 C ATOM 275 OG SER A 419 -6.470 22.114 -3.890 1.00 61.30 O ATOM 0 H SER A 419 -9.127 22.399 -3.445 1.00 25.05 H new ATOM 0 HA SER A 419 -7.610 20.214 -2.320 1.00 15.34 H new ATOM 0 HB2 SER A 419 -7.184 23.242 -2.325 1.00 20.34 H new ATOM 0 HB3 SER A 419 -5.979 22.045 -1.894 1.00 20.34 H new ATOM 0 HG SER A 419 -5.760 22.760 -4.087 1.00 61.30 H new ATOM 281 N GLY A 420 -9.481 22.070 -0.461 1.00 42.23 N ATOM 282 CA GLY A 420 -9.858 22.416 0.891 1.00 64.14 C ATOM 283 C GLY A 420 -8.956 23.516 1.382 1.00 52.30 C ATOM 284 O GLY A 420 -8.533 23.535 2.535 1.00 30.51 O ATOM 0 H GLY A 420 -10.145 22.358 -1.180 1.00 42.23 H new ATOM 0 HA2 GLY A 420 -10.898 22.740 0.921 1.00 64.14 H new ATOM 0 HA3 GLY A 420 -9.777 21.544 1.540 1.00 64.14 H new ATOM 288 N ALA A 421 -8.675 24.439 0.480 1.00 13.34 N ATOM 289 CA ALA A 421 -7.708 25.502 0.698 1.00 54.34 C ATOM 290 C ALA A 421 -8.160 26.545 1.719 1.00 71.32 C ATOM 291 O ALA A 421 -7.331 27.191 2.342 1.00 25.24 O ATOM 292 CB ALA A 421 -7.352 26.160 -0.625 1.00 71.25 C ATOM 0 H ALA A 421 -9.118 24.473 -0.438 1.00 13.34 H new ATOM 0 HA ALA A 421 -6.822 25.034 1.127 1.00 54.34 H new ATOM 0 HB1 ALA A 421 -6.627 26.955 -0.452 1.00 71.25 H new ATOM 0 HB2 ALA A 421 -6.922 25.417 -1.297 1.00 71.25 H new ATOM 0 HB3 ALA A 421 -8.251 26.580 -1.076 1.00 71.25 H new ATOM 535 N MET A 437 -12.953 13.676 -10.437 1.00 3.42 N ATOM 536 CA MET A 437 -11.601 14.149 -10.639 1.00 15.34 C ATOM 537 C MET A 437 -10.748 13.024 -11.184 1.00 4.40 C ATOM 538 O MET A 437 -10.837 11.897 -10.708 1.00 64.44 O ATOM 539 CB MET A 437 -10.978 14.677 -9.331 1.00 62.20 C ATOM 540 CG MET A 437 -11.667 15.895 -8.746 1.00 45.02 C ATOM 541 SD MET A 437 -11.614 17.333 -9.830 1.00 42.30 S ATOM 542 CE MET A 437 -12.584 18.488 -8.864 1.00 11.31 C ATOM 0 HA MET A 437 -11.638 14.974 -11.350 1.00 15.34 H new ATOM 0 HB2 MET A 437 -10.992 13.878 -8.590 1.00 62.20 H new ATOM 0 HB3 MET A 437 -9.932 14.922 -9.516 1.00 62.20 H new ATOM 0 HG2 MET A 437 -12.707 15.648 -8.532 1.00 45.02 H new ATOM 0 HG3 MET A 437 -11.198 16.148 -7.795 1.00 45.02 H new ATOM 0 HE1 MET A 437 -12.421 19.500 -9.236 1.00 11.31 H new ATOM 0 HE2 MET A 437 -13.641 18.236 -8.949 1.00 11.31 H new ATOM 0 HE3 MET A 437 -12.281 18.433 -7.819 1.00 11.31 H new ATOM 552 N PRO A 438 -9.892 13.311 -12.189 1.00 62.13 N ATOM 553 CA PRO A 438 -8.993 12.314 -12.810 1.00 24.02 C ATOM 554 C PRO A 438 -8.168 11.534 -11.782 1.00 21.34 C ATOM 555 O PRO A 438 -7.779 10.393 -12.017 1.00 12.04 O ATOM 556 CB PRO A 438 -8.072 13.155 -13.714 1.00 52.30 C ATOM 557 CG PRO A 438 -8.335 14.580 -13.340 1.00 61.31 C ATOM 558 CD PRO A 438 -9.735 14.629 -12.820 1.00 10.33 C ATOM 0 HA PRO A 438 -9.558 11.554 -13.349 1.00 24.02 H new ATOM 0 HB2 PRO A 438 -7.025 12.895 -13.557 1.00 52.30 H new ATOM 0 HB3 PRO A 438 -8.290 12.979 -14.767 1.00 52.30 H new ATOM 0 HG2 PRO A 438 -7.628 14.920 -12.583 1.00 61.31 H new ATOM 0 HG3 PRO A 438 -8.218 15.236 -14.203 1.00 61.31 H new ATOM 0 HD2 PRO A 438 -9.873 15.439 -12.104 1.00 10.33 H new ATOM 0 HD3 PRO A 438 -10.459 14.784 -13.620 1.00 10.33 H new ATOM 566 N GLN A 439 -7.918 12.165 -10.648 1.00 12.23 N ATOM 567 CA GLN A 439 -7.133 11.593 -9.572 1.00 11.42 C ATOM 568 C GLN A 439 -7.721 10.258 -9.062 1.00 72.43 C ATOM 569 O GLN A 439 -6.972 9.374 -8.635 1.00 74.02 O ATOM 570 CB GLN A 439 -6.987 12.607 -8.441 1.00 73.54 C ATOM 571 CG GLN A 439 -6.086 12.156 -7.312 1.00 20.03 C ATOM 572 CD GLN A 439 -5.873 13.239 -6.279 1.00 62.12 C ATOM 573 OE1 GLN A 439 -4.946 14.043 -6.384 1.00 1.14 O ATOM 574 NE2 GLN A 439 -6.711 13.270 -5.283 1.00 11.12 N ATOM 0 H GLN A 439 -8.261 13.104 -10.447 1.00 12.23 H new ATOM 0 HA GLN A 439 -6.144 11.359 -9.966 1.00 11.42 H new ATOM 0 HB2 GLN A 439 -6.597 13.538 -8.852 1.00 73.54 H new ATOM 0 HB3 GLN A 439 -7.975 12.827 -8.036 1.00 73.54 H new ATOM 0 HG2 GLN A 439 -6.521 11.279 -6.832 1.00 20.03 H new ATOM 0 HG3 GLN A 439 -5.122 11.851 -7.719 1.00 20.03 H new ATOM 0 HE21 GLN A 439 -7.467 12.587 -5.231 1.00 11.12 H new ATOM 0 HE22 GLN A 439 -6.612 13.978 -4.555 1.00 11.12 H new ATOM 583 N VAL A 440 -9.051 10.091 -9.141 1.00 32.24 N ATOM 584 CA VAL A 440 -9.663 8.832 -8.699 1.00 42.13 C ATOM 585 C VAL A 440 -9.215 7.699 -9.617 1.00 24.31 C ATOM 586 O VAL A 440 -9.024 6.568 -9.178 1.00 25.01 O ATOM 587 CB VAL A 440 -11.231 8.887 -8.648 1.00 34.13 C ATOM 588 CG1 VAL A 440 -11.858 9.008 -10.038 1.00 14.43 C ATOM 589 CG2 VAL A 440 -11.803 7.694 -7.893 1.00 1.10 C ATOM 0 H VAL A 440 -9.704 10.789 -9.496 1.00 32.24 H new ATOM 0 HA VAL A 440 -9.325 8.656 -7.678 1.00 42.13 H new ATOM 0 HB VAL A 440 -11.493 9.793 -8.102 1.00 34.13 H new ATOM 0 HG11 VAL A 440 -12.944 9.042 -9.946 1.00 14.43 H new ATOM 0 HG12 VAL A 440 -11.506 9.921 -10.518 1.00 14.43 H new ATOM 0 HG13 VAL A 440 -11.572 8.147 -10.642 1.00 14.43 H new ATOM 0 HG21 VAL A 440 -12.891 7.762 -7.876 1.00 1.10 H new ATOM 0 HG22 VAL A 440 -11.505 6.771 -8.391 1.00 1.10 H new ATOM 0 HG23 VAL A 440 -11.423 7.694 -6.871 1.00 1.10 H new ATOM 599 N LEU A 441 -9.010 8.032 -10.890 1.00 72.44 N ATOM 600 CA LEU A 441 -8.572 7.074 -11.887 1.00 52.55 C ATOM 601 C LEU A 441 -7.148 6.660 -11.601 1.00 54.34 C ATOM 602 O LEU A 441 -6.758 5.529 -11.849 1.00 33.23 O ATOM 603 CB LEU A 441 -8.679 7.664 -13.296 1.00 42.04 C ATOM 604 CG LEU A 441 -10.069 8.147 -13.728 1.00 20.33 C ATOM 605 CD1 LEU A 441 -10.018 8.738 -15.124 1.00 61.34 C ATOM 606 CD2 LEU A 441 -11.080 7.013 -13.671 1.00 15.13 C ATOM 0 H LEU A 441 -9.145 8.976 -11.253 1.00 72.44 H new ATOM 0 HA LEU A 441 -9.220 6.199 -11.838 1.00 52.55 H new ATOM 0 HB2 LEU A 441 -7.988 8.504 -13.369 1.00 42.04 H new ATOM 0 HB3 LEU A 441 -8.342 6.911 -14.008 1.00 42.04 H new ATOM 0 HG LEU A 441 -10.387 8.924 -13.032 1.00 20.33 H new ATOM 0 HD11 LEU A 441 -11.013 9.075 -15.413 1.00 61.34 H new ATOM 0 HD12 LEU A 441 -9.331 9.584 -15.136 1.00 61.34 H new ATOM 0 HD13 LEU A 441 -9.673 7.980 -15.828 1.00 61.34 H new ATOM 0 HD21 LEU A 441 -12.058 7.381 -13.982 1.00 15.13 H new ATOM 0 HD22 LEU A 441 -10.765 6.211 -14.339 1.00 15.13 H new ATOM 0 HD23 LEU A 441 -11.143 6.633 -12.651 1.00 15.13 H new ATOM 618 N HIS A 442 -6.385 7.587 -11.047 1.00 72.42 N ATOM 619 CA HIS A 442 -5.007 7.331 -10.692 1.00 21.03 C ATOM 620 C HIS A 442 -4.954 6.274 -9.582 1.00 1.54 C ATOM 621 O HIS A 442 -4.132 5.376 -9.617 1.00 71.25 O ATOM 622 CB HIS A 442 -4.308 8.641 -10.279 1.00 35.22 C ATOM 623 CG HIS A 442 -2.839 8.507 -10.017 1.00 15.42 C ATOM 624 ND1 HIS A 442 -2.219 9.016 -8.905 1.00 63.41 N ATOM 625 CD2 HIS A 442 -1.858 7.959 -10.764 1.00 4.13 C ATOM 626 CE1 HIS A 442 -0.936 8.788 -8.979 1.00 73.22 C ATOM 627 NE2 HIS A 442 -0.687 8.150 -10.096 1.00 1.23 N ATOM 0 H HIS A 442 -6.705 8.532 -10.833 1.00 72.42 H new ATOM 0 HA HIS A 442 -4.469 6.940 -11.556 1.00 21.03 H new ATOM 0 HB2 HIS A 442 -4.458 9.381 -11.065 1.00 35.22 H new ATOM 0 HB3 HIS A 442 -4.790 9.028 -9.381 1.00 35.22 H new ATOM 0 HD2 HIS A 442 -1.979 7.461 -11.715 1.00 4.13 H new ATOM 0 HE1 HIS A 442 -0.202 9.077 -8.242 1.00 73.22 H new ATOM 0 HE2 HIS A 442 0.234 7.846 -10.413 1.00 1.23 H new ATOM 636 N TYR A 443 -5.865 6.379 -8.618 1.00 4.23 N ATOM 637 CA TYR A 443 -5.986 5.368 -7.554 1.00 31.13 C ATOM 638 C TYR A 443 -6.627 4.096 -8.095 1.00 25.53 C ATOM 639 O TYR A 443 -6.351 2.993 -7.624 1.00 31.25 O ATOM 640 CB TYR A 443 -6.806 5.887 -6.367 1.00 55.42 C ATOM 641 CG TYR A 443 -6.141 6.955 -5.523 1.00 13.55 C ATOM 642 CD1 TYR A 443 -5.301 6.599 -4.478 1.00 41.32 C ATOM 643 CD2 TYR A 443 -6.363 8.307 -5.748 1.00 23.10 C ATOM 644 CE1 TYR A 443 -4.704 7.553 -3.683 1.00 1.13 C ATOM 645 CE2 TYR A 443 -5.762 9.271 -4.955 1.00 55.12 C ATOM 646 CZ TYR A 443 -4.935 8.886 -3.923 1.00 74.42 C ATOM 647 OH TYR A 443 -4.334 9.843 -3.124 1.00 20.21 O ATOM 0 H TYR A 443 -6.531 7.148 -8.546 1.00 4.23 H new ATOM 0 HA TYR A 443 -4.977 5.148 -7.204 1.00 31.13 H new ATOM 0 HB2 TYR A 443 -7.748 6.284 -6.746 1.00 55.42 H new ATOM 0 HB3 TYR A 443 -7.052 5.043 -5.723 1.00 55.42 H new ATOM 0 HD1 TYR A 443 -5.111 5.554 -4.284 1.00 41.32 H new ATOM 0 HD2 TYR A 443 -7.014 8.612 -6.554 1.00 23.10 H new ATOM 0 HE1 TYR A 443 -4.056 7.254 -2.873 1.00 1.13 H new ATOM 0 HE2 TYR A 443 -5.941 10.319 -5.145 1.00 55.12 H new ATOM 0 HH TYR A 443 -4.600 10.736 -3.427 1.00 20.21 H new ATOM 657 N ALA A 444 -7.461 4.261 -9.102 1.00 54.31 N ATOM 658 CA ALA A 444 -8.156 3.154 -9.740 1.00 33.33 C ATOM 659 C ALA A 444 -7.168 2.216 -10.406 1.00 15.21 C ATOM 660 O ALA A 444 -7.381 0.999 -10.462 1.00 51.33 O ATOM 661 CB ALA A 444 -9.178 3.658 -10.740 1.00 33.25 C ATOM 0 H ALA A 444 -7.679 5.172 -9.506 1.00 54.31 H new ATOM 0 HA ALA A 444 -8.688 2.599 -8.968 1.00 33.33 H new ATOM 0 HB1 ALA A 444 -9.683 2.810 -11.203 1.00 33.25 H new ATOM 0 HB2 ALA A 444 -9.911 4.282 -10.228 1.00 33.25 H new ATOM 0 HB3 ALA A 444 -8.676 4.245 -11.509 1.00 33.25 H new ATOM 667 N GLN A 445 -6.085 2.789 -10.919 1.00 73.01 N ATOM 668 CA GLN A 445 -5.000 2.017 -11.512 1.00 41.34 C ATOM 669 C GLN A 445 -4.353 1.135 -10.440 1.00 34.20 C ATOM 670 O GLN A 445 -3.957 0.007 -10.707 1.00 33.14 O ATOM 671 CB GLN A 445 -3.940 2.953 -12.117 1.00 65.13 C ATOM 672 CG GLN A 445 -4.459 3.878 -13.213 1.00 52.25 C ATOM 673 CD GLN A 445 -3.381 4.803 -13.752 1.00 55.03 C ATOM 674 OE1 GLN A 445 -3.176 5.912 -13.244 1.00 52.02 O ATOM 675 NE2 GLN A 445 -2.700 4.376 -14.786 1.00 53.11 N ATOM 0 H GLN A 445 -5.935 3.798 -10.936 1.00 73.01 H new ATOM 0 HA GLN A 445 -5.409 1.391 -12.306 1.00 41.34 H new ATOM 0 HB2 GLN A 445 -3.513 3.561 -11.319 1.00 65.13 H new ATOM 0 HB3 GLN A 445 -3.130 2.348 -12.524 1.00 65.13 H new ATOM 0 HG2 GLN A 445 -4.861 3.279 -14.030 1.00 52.25 H new ATOM 0 HG3 GLN A 445 -5.282 4.475 -12.821 1.00 52.25 H new ATOM 0 HE21 GLN A 445 -2.895 3.456 -15.180 1.00 53.11 H new ATOM 0 HE22 GLN A 445 -1.975 4.964 -15.197 1.00 53.11 H new ATOM 684 N TYR A 446 -4.267 1.670 -9.232 1.00 64.31 N ATOM 685 CA TYR A 446 -3.678 0.981 -8.093 1.00 62.13 C ATOM 686 C TYR A 446 -4.574 -0.105 -7.511 1.00 53.13 C ATOM 687 O TYR A 446 -4.147 -1.258 -7.344 1.00 41.21 O ATOM 688 CB TYR A 446 -3.255 1.978 -7.013 1.00 44.50 C ATOM 689 CG TYR A 446 -1.988 2.720 -7.353 1.00 63.04 C ATOM 690 CD1 TYR A 446 -0.758 2.204 -6.983 1.00 42.15 C ATOM 691 CD2 TYR A 446 -2.014 3.917 -8.046 1.00 50.30 C ATOM 692 CE1 TYR A 446 0.410 2.857 -7.293 1.00 21.25 C ATOM 693 CE2 TYR A 446 -0.847 4.583 -8.362 1.00 30.40 C ATOM 694 CZ TYR A 446 0.361 4.047 -7.980 1.00 15.13 C ATOM 695 OH TYR A 446 1.532 4.694 -8.301 1.00 62.34 O ATOM 0 H TYR A 446 -4.608 2.606 -9.012 1.00 64.31 H new ATOM 0 HA TYR A 446 -2.792 0.471 -8.471 1.00 62.13 H new ATOM 0 HB2 TYR A 446 -4.059 2.697 -6.857 1.00 44.50 H new ATOM 0 HB3 TYR A 446 -3.116 1.447 -6.072 1.00 44.50 H new ATOM 0 HD1 TYR A 446 -0.716 1.271 -6.441 1.00 42.15 H new ATOM 0 HD2 TYR A 446 -2.963 4.337 -8.345 1.00 50.30 H new ATOM 0 HE1 TYR A 446 1.361 2.438 -6.999 1.00 21.25 H new ATOM 0 HE2 TYR A 446 -0.882 5.516 -8.904 1.00 30.40 H new ATOM 0 HH TYR A 446 1.327 5.520 -8.787 1.00 62.34 H new ATOM 705 N VAL A 447 -5.805 0.254 -7.212 1.00 64.10 N ATOM 706 CA VAL A 447 -6.758 -0.660 -6.581 1.00 10.43 C ATOM 707 C VAL A 447 -7.029 -1.903 -7.455 1.00 4.01 C ATOM 708 O VAL A 447 -7.298 -2.988 -6.937 1.00 31.23 O ATOM 709 CB VAL A 447 -8.091 0.054 -6.203 1.00 4.14 C ATOM 710 CG1 VAL A 447 -8.855 0.501 -7.433 1.00 65.54 C ATOM 711 CG2 VAL A 447 -8.952 -0.814 -5.299 1.00 11.14 C ATOM 0 H VAL A 447 -6.181 1.184 -7.396 1.00 64.10 H new ATOM 0 HA VAL A 447 -6.293 -1.000 -5.656 1.00 10.43 H new ATOM 0 HB VAL A 447 -7.828 0.951 -5.642 1.00 4.14 H new ATOM 0 HG11 VAL A 447 -9.778 0.994 -7.129 1.00 65.54 H new ATOM 0 HG12 VAL A 447 -8.244 1.197 -8.008 1.00 65.54 H new ATOM 0 HG13 VAL A 447 -9.093 -0.366 -8.049 1.00 65.54 H new ATOM 0 HG21 VAL A 447 -9.873 -0.284 -5.056 1.00 11.14 H new ATOM 0 HG22 VAL A 447 -9.193 -1.745 -5.811 1.00 11.14 H new ATOM 0 HG23 VAL A 447 -8.408 -1.035 -4.381 1.00 11.14 H new ATOM 721 N LEU A 448 -6.923 -1.734 -8.780 1.00 2.52 N ATOM 722 CA LEU A 448 -7.157 -2.794 -9.730 1.00 33.10 C ATOM 723 C LEU A 448 -6.281 -4.027 -9.446 1.00 23.33 C ATOM 724 O LEU A 448 -6.715 -5.154 -9.655 1.00 23.15 O ATOM 725 CB LEU A 448 -6.914 -2.279 -11.147 1.00 52.42 C ATOM 726 CG LEU A 448 -7.080 -3.306 -12.249 1.00 22.34 C ATOM 727 CD1 LEU A 448 -8.514 -3.833 -12.310 1.00 1.11 C ATOM 728 CD2 LEU A 448 -6.636 -2.757 -13.591 1.00 31.24 C ATOM 0 H LEU A 448 -6.670 -0.845 -9.211 1.00 2.52 H new ATOM 0 HA LEU A 448 -8.196 -3.110 -9.631 1.00 33.10 H new ATOM 0 HB2 LEU A 448 -7.599 -1.453 -11.337 1.00 52.42 H new ATOM 0 HB3 LEU A 448 -5.903 -1.874 -11.200 1.00 52.42 H new ATOM 0 HG LEU A 448 -6.431 -4.148 -12.009 1.00 22.34 H new ATOM 0 HD11 LEU A 448 -8.598 -4.567 -13.111 1.00 1.11 H new ATOM 0 HD12 LEU A 448 -8.770 -4.302 -11.360 1.00 1.11 H new ATOM 0 HD13 LEU A 448 -9.198 -3.006 -12.503 1.00 1.11 H new ATOM 0 HD21 LEU A 448 -6.769 -3.520 -14.358 1.00 31.24 H new ATOM 0 HD22 LEU A 448 -7.235 -1.882 -13.842 1.00 31.24 H new ATOM 0 HD23 LEU A 448 -5.585 -2.474 -13.539 1.00 31.24 H new ATOM 740 N LEU A 449 -5.067 -3.811 -8.944 1.00 45.23 N ATOM 741 CA LEU A 449 -4.182 -4.931 -8.620 1.00 60.20 C ATOM 742 C LEU A 449 -4.768 -5.757 -7.484 1.00 70.14 C ATOM 743 O LEU A 449 -4.755 -6.995 -7.522 1.00 51.03 O ATOM 744 CB LEU A 449 -2.744 -4.478 -8.260 1.00 3.20 C ATOM 745 CG LEU A 449 -1.857 -3.915 -9.392 1.00 32.53 C ATOM 746 CD1 LEU A 449 -2.417 -2.643 -9.988 1.00 42.31 C ATOM 747 CD2 LEU A 449 -0.448 -3.682 -8.887 1.00 2.02 C ATOM 0 H LEU A 449 -4.677 -2.888 -8.755 1.00 45.23 H new ATOM 0 HA LEU A 449 -4.108 -5.542 -9.519 1.00 60.20 H new ATOM 0 HB2 LEU A 449 -2.818 -3.716 -7.484 1.00 3.20 H new ATOM 0 HB3 LEU A 449 -2.225 -5.330 -7.822 1.00 3.20 H new ATOM 0 HG LEU A 449 -1.840 -4.661 -10.187 1.00 32.53 H new ATOM 0 HD11 LEU A 449 -1.755 -2.290 -10.779 1.00 42.31 H new ATOM 0 HD12 LEU A 449 -3.405 -2.840 -10.403 1.00 42.31 H new ATOM 0 HD13 LEU A 449 -2.494 -1.881 -9.212 1.00 42.31 H new ATOM 0 HD21 LEU A 449 0.167 -3.285 -9.695 1.00 2.02 H new ATOM 0 HD22 LEU A 449 -0.470 -2.968 -8.063 1.00 2.02 H new ATOM 0 HD23 LEU A 449 -0.026 -4.625 -8.539 1.00 2.02 H new ATOM 759 N GLY A 450 -5.305 -5.072 -6.496 1.00 21.43 N ATOM 760 CA GLY A 450 -5.904 -5.733 -5.367 1.00 71.34 C ATOM 761 C GLY A 450 -7.191 -6.405 -5.749 1.00 64.24 C ATOM 762 O GLY A 450 -7.477 -7.521 -5.300 1.00 42.43 O ATOM 0 H GLY A 450 -5.336 -4.053 -6.457 1.00 21.43 H new ATOM 0 HA2 GLY A 450 -5.211 -6.472 -4.965 1.00 71.34 H new ATOM 0 HA3 GLY A 450 -6.091 -5.008 -4.575 1.00 71.34 H new ATOM 766 N LEU A 451 -7.963 -5.721 -6.581 1.00 14.52 N ATOM 767 CA LEU A 451 -9.226 -6.228 -7.096 1.00 43.43 C ATOM 768 C LEU A 451 -8.962 -7.498 -7.896 1.00 61.44 C ATOM 769 O LEU A 451 -9.659 -8.494 -7.737 1.00 15.10 O ATOM 770 CB LEU A 451 -9.906 -5.115 -7.964 1.00 35.32 C ATOM 771 CG LEU A 451 -11.327 -5.366 -8.565 1.00 74.25 C ATOM 772 CD1 LEU A 451 -11.862 -4.073 -9.153 1.00 44.34 C ATOM 773 CD2 LEU A 451 -11.311 -6.421 -9.674 1.00 52.24 C ATOM 0 H LEU A 451 -7.727 -4.789 -6.921 1.00 14.52 H new ATOM 0 HA LEU A 451 -9.907 -6.481 -6.283 1.00 43.43 H new ATOM 0 HB2 LEU A 451 -9.965 -4.215 -7.352 1.00 35.32 H new ATOM 0 HB3 LEU A 451 -9.235 -4.893 -8.794 1.00 35.32 H new ATOM 0 HG LEU A 451 -11.959 -5.727 -7.754 1.00 74.25 H new ATOM 0 HD11 LEU A 451 -12.853 -4.247 -9.572 1.00 44.34 H new ATOM 0 HD12 LEU A 451 -11.927 -3.317 -8.371 1.00 44.34 H new ATOM 0 HD13 LEU A 451 -11.191 -3.726 -9.939 1.00 44.34 H new ATOM 0 HD21 LEU A 451 -12.321 -6.559 -10.059 1.00 52.24 H new ATOM 0 HD22 LEU A 451 -10.657 -6.091 -10.481 1.00 52.24 H new ATOM 0 HD23 LEU A 451 -10.943 -7.365 -9.273 1.00 52.24 H new ATOM 785 N GLY A 452 -7.926 -7.454 -8.726 1.00 72.40 N ATOM 786 CA GLY A 452 -7.579 -8.578 -9.577 1.00 63.12 C ATOM 787 C GLY A 452 -7.253 -9.822 -8.785 1.00 35.44 C ATOM 788 O GLY A 452 -7.702 -10.923 -9.132 1.00 4.20 O ATOM 0 H GLY A 452 -7.311 -6.646 -8.825 1.00 72.40 H new ATOM 0 HA2 GLY A 452 -8.408 -8.788 -10.253 1.00 63.12 H new ATOM 0 HA3 GLY A 452 -6.723 -8.310 -10.196 1.00 63.12 H new ATOM 792 N GLY A 453 -6.483 -9.648 -7.722 1.00 11.13 N ATOM 793 CA GLY A 453 -6.132 -10.760 -6.867 1.00 52.41 C ATOM 794 C GLY A 453 -7.345 -11.300 -6.148 1.00 22.13 C ATOM 795 O GLY A 453 -7.599 -12.499 -6.163 1.00 43.43 O ATOM 0 H GLY A 453 -6.093 -8.750 -7.436 1.00 11.13 H new ATOM 0 HA2 GLY A 453 -5.677 -11.551 -7.463 1.00 52.41 H new ATOM 0 HA3 GLY A 453 -5.386 -10.441 -6.139 1.00 52.41 H new ATOM 799 N LEU A 454 -8.118 -10.388 -5.567 1.00 53.14 N ATOM 800 CA LEU A 454 -9.327 -10.713 -4.810 1.00 3.41 C ATOM 801 C LEU A 454 -10.297 -11.504 -5.692 1.00 62.31 C ATOM 802 O LEU A 454 -10.833 -12.536 -5.280 1.00 20.31 O ATOM 803 CB LEU A 454 -9.964 -9.381 -4.296 1.00 2.23 C ATOM 804 CG LEU A 454 -11.201 -9.423 -3.348 1.00 11.12 C ATOM 805 CD1 LEU A 454 -11.477 -8.027 -2.830 1.00 70.11 C ATOM 806 CD2 LEU A 454 -12.457 -9.934 -4.048 1.00 4.24 C ATOM 0 H LEU A 454 -7.922 -9.388 -5.608 1.00 53.14 H new ATOM 0 HA LEU A 454 -9.086 -11.339 -3.951 1.00 3.41 H new ATOM 0 HB2 LEU A 454 -9.180 -8.824 -3.782 1.00 2.23 H new ATOM 0 HB3 LEU A 454 -10.247 -8.798 -5.172 1.00 2.23 H new ATOM 0 HG LEU A 454 -10.964 -10.111 -2.536 1.00 11.12 H new ATOM 0 HD11 LEU A 454 -12.341 -8.049 -2.166 1.00 70.11 H new ATOM 0 HD12 LEU A 454 -10.608 -7.664 -2.282 1.00 70.11 H new ATOM 0 HD13 LEU A 454 -11.681 -7.361 -3.669 1.00 70.11 H new ATOM 0 HD21 LEU A 454 -13.288 -9.943 -3.343 1.00 4.24 H new ATOM 0 HD22 LEU A 454 -12.699 -9.279 -4.885 1.00 4.24 H new ATOM 0 HD23 LEU A 454 -12.283 -10.945 -4.416 1.00 4.24 H new ATOM 818 N LEU A 455 -10.486 -11.025 -6.908 1.00 41.23 N ATOM 819 CA LEU A 455 -11.396 -11.631 -7.861 1.00 34.11 C ATOM 820 C LEU A 455 -10.917 -13.027 -8.278 1.00 31.32 C ATOM 821 O LEU A 455 -11.723 -13.898 -8.588 1.00 11.22 O ATOM 822 CB LEU A 455 -11.552 -10.719 -9.085 1.00 43.41 C ATOM 823 CG LEU A 455 -12.545 -11.161 -10.162 1.00 4.54 C ATOM 824 CD1 LEU A 455 -13.958 -11.247 -9.597 1.00 21.24 C ATOM 825 CD2 LEU A 455 -12.499 -10.205 -11.337 1.00 54.54 C ATOM 0 H LEU A 455 -10.008 -10.197 -7.264 1.00 41.23 H new ATOM 0 HA LEU A 455 -12.368 -11.749 -7.382 1.00 34.11 H new ATOM 0 HB2 LEU A 455 -11.851 -9.731 -8.735 1.00 43.41 H new ATOM 0 HB3 LEU A 455 -10.573 -10.609 -9.552 1.00 43.41 H new ATOM 0 HG LEU A 455 -12.260 -12.155 -10.507 1.00 4.54 H new ATOM 0 HD11 LEU A 455 -14.645 -11.563 -10.382 1.00 21.24 H new ATOM 0 HD12 LEU A 455 -13.981 -11.970 -8.782 1.00 21.24 H new ATOM 0 HD13 LEU A 455 -14.260 -10.269 -9.222 1.00 21.24 H new ATOM 0 HD21 LEU A 455 -13.209 -10.529 -12.098 1.00 54.54 H new ATOM 0 HD22 LEU A 455 -12.760 -9.202 -11.000 1.00 54.54 H new ATOM 0 HD23 LEU A 455 -11.494 -10.196 -11.759 1.00 54.54 H new ATOM 837 N LEU A 456 -9.605 -13.248 -8.241 1.00 63.42 N ATOM 838 CA LEU A 456 -9.042 -14.520 -8.639 1.00 42.34 C ATOM 839 C LEU A 456 -9.261 -15.530 -7.536 1.00 53.42 C ATOM 840 O LEU A 456 -9.382 -16.725 -7.781 1.00 74.04 O ATOM 841 CB LEU A 456 -7.541 -14.370 -8.926 1.00 60.53 C ATOM 842 CG LEU A 456 -6.779 -15.646 -9.318 1.00 43.14 C ATOM 843 CD1 LEU A 456 -7.316 -16.233 -10.617 1.00 0.11 C ATOM 844 CD2 LEU A 456 -5.288 -15.368 -9.429 1.00 1.43 C ATOM 0 H LEU A 456 -8.918 -12.558 -7.938 1.00 63.42 H new ATOM 0 HA LEU A 456 -9.535 -14.863 -9.548 1.00 42.34 H new ATOM 0 HB2 LEU A 456 -7.420 -13.642 -9.728 1.00 60.53 H new ATOM 0 HB3 LEU A 456 -7.066 -13.950 -8.040 1.00 60.53 H new ATOM 0 HG LEU A 456 -6.934 -16.383 -8.530 1.00 43.14 H new ATOM 0 HD11 LEU A 456 -6.757 -17.134 -10.868 1.00 0.11 H new ATOM 0 HD12 LEU A 456 -8.370 -16.482 -10.495 1.00 0.11 H new ATOM 0 HD13 LEU A 456 -7.206 -15.503 -11.419 1.00 0.11 H new ATOM 0 HD21 LEU A 456 -4.767 -16.284 -9.707 1.00 1.43 H new ATOM 0 HD22 LEU A 456 -5.115 -14.607 -10.190 1.00 1.43 H new ATOM 0 HD23 LEU A 456 -4.912 -15.014 -8.469 1.00 1.43 H new ATOM 856 N LEU A 457 -9.344 -15.034 -6.324 1.00 4.02 N ATOM 857 CA LEU A 457 -9.496 -15.877 -5.170 1.00 30.44 C ATOM 858 C LEU A 457 -10.896 -16.418 -5.060 1.00 12.52 C ATOM 859 O LEU A 457 -11.086 -17.502 -4.550 1.00 35.52 O ATOM 860 CB LEU A 457 -9.136 -15.133 -3.891 1.00 73.43 C ATOM 861 CG LEU A 457 -7.760 -14.486 -3.852 1.00 22.24 C ATOM 862 CD1 LEU A 457 -7.482 -13.914 -2.489 1.00 32.13 C ATOM 863 CD2 LEU A 457 -6.673 -15.451 -4.290 1.00 51.12 C ATOM 0 H LEU A 457 -9.308 -14.036 -6.114 1.00 4.02 H new ATOM 0 HA LEU A 457 -8.809 -16.713 -5.299 1.00 30.44 H new ATOM 0 HB2 LEU A 457 -9.884 -14.357 -3.725 1.00 73.43 H new ATOM 0 HB3 LEU A 457 -9.210 -15.831 -3.057 1.00 73.43 H new ATOM 0 HG LEU A 457 -7.755 -13.664 -4.567 1.00 22.24 H new ATOM 0 HD11 LEU A 457 -6.493 -13.456 -2.482 1.00 32.13 H new ATOM 0 HD12 LEU A 457 -8.233 -13.161 -2.250 1.00 32.13 H new ATOM 0 HD13 LEU A 457 -7.518 -14.711 -1.746 1.00 32.13 H new ATOM 0 HD21 LEU A 457 -5.705 -14.952 -4.249 1.00 51.12 H new ATOM 0 HD22 LEU A 457 -6.664 -16.315 -3.626 1.00 51.12 H new ATOM 0 HD23 LEU A 457 -6.868 -15.780 -5.311 1.00 51.12 H new ATOM 875 N VAL A 458 -11.872 -15.659 -5.556 1.00 2.22 N ATOM 876 CA VAL A 458 -13.285 -16.040 -5.455 1.00 23.03 C ATOM 877 C VAL A 458 -13.568 -17.486 -5.963 1.00 63.45 C ATOM 878 O VAL A 458 -14.095 -18.303 -5.195 1.00 50.33 O ATOM 879 CB VAL A 458 -14.244 -15.002 -6.117 1.00 43.51 C ATOM 880 CG1 VAL A 458 -15.692 -15.443 -5.980 1.00 32.04 C ATOM 881 CG2 VAL A 458 -14.055 -13.628 -5.487 1.00 61.41 C ATOM 0 H VAL A 458 -11.712 -14.772 -6.034 1.00 2.22 H new ATOM 0 HA VAL A 458 -13.503 -16.036 -4.387 1.00 23.03 H new ATOM 0 HB VAL A 458 -13.999 -14.941 -7.177 1.00 43.51 H new ATOM 0 HG11 VAL A 458 -16.343 -14.705 -6.448 1.00 32.04 H new ATOM 0 HG12 VAL A 458 -15.826 -16.408 -6.469 1.00 32.04 H new ATOM 0 HG13 VAL A 458 -15.947 -15.533 -4.924 1.00 32.04 H new ATOM 0 HG21 VAL A 458 -14.731 -12.915 -5.959 1.00 61.41 H new ATOM 0 HG22 VAL A 458 -14.274 -13.683 -4.421 1.00 61.41 H new ATOM 0 HG23 VAL A 458 -13.025 -13.301 -5.630 1.00 61.41 H new ATOM 891 N PRO A 459 -13.197 -17.856 -7.235 1.00 11.32 N ATOM 892 CA PRO A 459 -13.419 -19.219 -7.738 1.00 51.44 C ATOM 893 C PRO A 459 -12.642 -20.252 -6.923 1.00 33.23 C ATOM 894 O PRO A 459 -13.078 -21.403 -6.760 1.00 4.11 O ATOM 895 CB PRO A 459 -12.884 -19.174 -9.180 1.00 34.32 C ATOM 896 CG PRO A 459 -12.865 -17.731 -9.534 1.00 30.13 C ATOM 897 CD PRO A 459 -12.561 -17.006 -8.266 1.00 64.41 C ATOM 0 HA PRO A 459 -14.467 -19.511 -7.674 1.00 51.44 H new ATOM 0 HB2 PRO A 459 -11.887 -19.610 -9.246 1.00 34.32 H new ATOM 0 HB3 PRO A 459 -13.525 -19.739 -9.857 1.00 34.32 H new ATOM 0 HG2 PRO A 459 -12.111 -17.524 -10.293 1.00 30.13 H new ATOM 0 HG3 PRO A 459 -13.825 -17.416 -9.944 1.00 30.13 H new ATOM 0 HD2 PRO A 459 -11.487 -16.910 -8.104 1.00 64.41 H new ATOM 0 HD3 PRO A 459 -12.975 -15.997 -8.269 1.00 64.41 H new ATOM 905 N ILE A 460 -11.509 -19.826 -6.382 1.00 12.01 N ATOM 906 CA ILE A 460 -10.661 -20.694 -5.595 1.00 22.13 C ATOM 907 C ILE A 460 -11.306 -20.961 -4.237 1.00 13.22 C ATOM 908 O ILE A 460 -11.315 -22.083 -3.773 1.00 64.24 O ATOM 909 CB ILE A 460 -9.251 -20.093 -5.386 1.00 2.12 C ATOM 910 CG1 ILE A 460 -8.620 -19.744 -6.736 1.00 22.51 C ATOM 911 CG2 ILE A 460 -8.366 -21.096 -4.638 1.00 72.13 C ATOM 912 CD1 ILE A 460 -7.263 -19.081 -6.629 1.00 43.41 C ATOM 0 H ILE A 460 -11.158 -18.873 -6.479 1.00 12.01 H new ATOM 0 HA ILE A 460 -10.549 -21.628 -6.146 1.00 22.13 H new ATOM 0 HB ILE A 460 -9.339 -19.182 -4.794 1.00 2.12 H new ATOM 0 HG12 ILE A 460 -8.522 -20.655 -7.326 1.00 22.51 H new ATOM 0 HG13 ILE A 460 -9.294 -19.083 -7.280 1.00 22.51 H new ATOM 0 HG21 ILE A 460 -7.374 -20.668 -4.493 1.00 72.13 H new ATOM 0 HG22 ILE A 460 -8.810 -21.320 -3.668 1.00 72.13 H new ATOM 0 HG23 ILE A 460 -8.284 -22.014 -5.220 1.00 72.13 H new ATOM 0 HD11 ILE A 460 -6.883 -18.866 -7.628 1.00 43.41 H new ATOM 0 HD12 ILE A 460 -7.356 -18.151 -6.068 1.00 43.41 H new ATOM 0 HD13 ILE A 460 -6.572 -19.748 -6.114 1.00 43.41 H new ATOM 924 N ILE A 461 -11.869 -19.920 -3.629 1.00 11.34 N ATOM 925 CA ILE A 461 -12.560 -20.034 -2.338 1.00 74.41 C ATOM 926 C ILE A 461 -13.711 -21.026 -2.453 1.00 74.52 C ATOM 927 O ILE A 461 -13.909 -21.870 -1.581 1.00 13.41 O ATOM 928 CB ILE A 461 -13.092 -18.655 -1.840 1.00 62.24 C ATOM 929 CG1 ILE A 461 -11.927 -17.688 -1.607 1.00 3.33 C ATOM 930 CG2 ILE A 461 -13.915 -18.815 -0.555 1.00 25.11 C ATOM 931 CD1 ILE A 461 -12.355 -16.294 -1.204 1.00 33.23 C ATOM 0 H ILE A 461 -11.862 -18.975 -4.012 1.00 11.34 H new ATOM 0 HA ILE A 461 -11.838 -20.393 -1.605 1.00 74.41 H new ATOM 0 HB ILE A 461 -13.743 -18.244 -2.612 1.00 62.24 H new ATOM 0 HG12 ILE A 461 -11.279 -18.096 -0.831 1.00 3.33 H new ATOM 0 HG13 ILE A 461 -11.333 -17.625 -2.519 1.00 3.33 H new ATOM 0 HG21 ILE A 461 -14.274 -17.839 -0.229 1.00 25.11 H new ATOM 0 HG22 ILE A 461 -14.766 -19.469 -0.747 1.00 25.11 H new ATOM 0 HG23 ILE A 461 -13.291 -19.251 0.225 1.00 25.11 H new ATOM 0 HD11 ILE A 461 -11.473 -15.671 -1.058 1.00 33.23 H new ATOM 0 HD12 ILE A 461 -12.978 -15.864 -1.988 1.00 33.23 H new ATOM 0 HD13 ILE A 461 -12.923 -16.342 -0.275 1.00 33.23 H new ATOM 943 N CYS A 462 -14.435 -20.943 -3.549 1.00 61.11 N ATOM 944 CA CYS A 462 -15.531 -21.856 -3.810 1.00 62.55 C ATOM 945 C CYS A 462 -15.014 -23.303 -3.976 1.00 3.44 C ATOM 946 O CYS A 462 -15.722 -24.271 -3.665 1.00 3.04 O ATOM 947 CB CYS A 462 -16.286 -21.412 -5.064 1.00 62.13 C ATOM 948 SG CYS A 462 -16.983 -19.746 -4.955 1.00 12.32 S ATOM 0 H CYS A 462 -14.284 -20.247 -4.280 1.00 61.11 H new ATOM 0 HA CYS A 462 -16.211 -21.837 -2.958 1.00 62.55 H new ATOM 0 HB2 CYS A 462 -15.609 -21.456 -5.917 1.00 62.13 H new ATOM 0 HB3 CYS A 462 -17.092 -22.119 -5.260 1.00 62.13 H new ATOM 0 HG CYS A 462 -16.030 -18.869 -5.065 1.00 12.32 H new ATOM 954 N GLN A 463 -13.764 -23.432 -4.425 1.00 73.13 N ATOM 955 CA GLN A 463 -13.161 -24.736 -4.681 1.00 13.11 C ATOM 956 C GLN A 463 -12.699 -25.298 -3.357 1.00 34.25 C ATOM 957 O GLN A 463 -12.905 -26.451 -3.025 1.00 13.14 O ATOM 958 CB GLN A 463 -11.976 -24.599 -5.654 1.00 5.13 C ATOM 959 CG GLN A 463 -11.318 -25.922 -6.016 1.00 44.12 C ATOM 960 CD GLN A 463 -12.261 -26.869 -6.744 1.00 21.11 C ATOM 961 OE1 GLN A 463 -13.154 -26.443 -7.476 1.00 24.23 O ATOM 962 NE2 GLN A 463 -12.094 -28.135 -6.533 1.00 54.14 N ATOM 0 H GLN A 463 -13.148 -22.642 -4.619 1.00 73.13 H new ATOM 0 HA GLN A 463 -13.887 -25.406 -5.141 1.00 13.11 H new ATOM 0 HB2 GLN A 463 -12.323 -24.115 -6.567 1.00 5.13 H new ATOM 0 HB3 GLN A 463 -11.228 -23.942 -5.210 1.00 5.13 H new ATOM 0 HG2 GLN A 463 -10.447 -25.730 -6.643 1.00 44.12 H new ATOM 0 HG3 GLN A 463 -10.957 -26.404 -5.107 1.00 44.12 H new ATOM 0 HE21 GLN A 463 -11.344 -28.455 -5.921 1.00 54.14 H new ATOM 0 HE22 GLN A 463 -12.712 -28.812 -6.979 1.00 54.14 H new ATOM 971 N LEU A 464 -12.092 -24.420 -2.626 1.00 12.50 N ATOM 972 CA LEU A 464 -11.562 -24.618 -1.338 1.00 42.20 C ATOM 973 C LEU A 464 -12.653 -25.091 -0.380 1.00 32.12 C ATOM 974 O LEU A 464 -12.467 -26.064 0.342 1.00 5.01 O ATOM 975 CB LEU A 464 -11.019 -23.244 -0.981 1.00 70.11 C ATOM 976 CG LEU A 464 -10.298 -23.003 0.298 1.00 15.35 C ATOM 977 CD1 LEU A 464 -9.656 -21.643 0.179 1.00 23.44 C ATOM 978 CD2 LEU A 464 -11.246 -22.999 1.479 1.00 63.42 C ATOM 0 H LEU A 464 -11.948 -23.465 -2.955 1.00 12.50 H new ATOM 0 HA LEU A 464 -10.793 -25.388 -1.282 1.00 42.20 H new ATOM 0 HB2 LEU A 464 -10.344 -22.951 -1.785 1.00 70.11 H new ATOM 0 HB3 LEU A 464 -11.862 -22.554 -1.005 1.00 70.11 H new ATOM 0 HG LEU A 464 -9.568 -23.794 0.467 1.00 15.35 H new ATOM 0 HD11 LEU A 464 -9.112 -21.416 1.096 1.00 23.44 H new ATOM 0 HD12 LEU A 464 -8.965 -21.639 -0.664 1.00 23.44 H new ATOM 0 HD13 LEU A 464 -10.427 -20.889 0.019 1.00 23.44 H new ATOM 0 HD21 LEU A 464 -10.684 -22.820 2.396 1.00 63.42 H new ATOM 0 HD22 LEU A 464 -11.987 -22.211 1.348 1.00 63.42 H new ATOM 0 HD23 LEU A 464 -11.750 -23.963 1.544 1.00 63.42 H new ATOM 990 N ARG A 465 -13.806 -24.435 -0.415 1.00 72.31 N ATOM 991 CA ARG A 465 -14.908 -24.830 0.446 1.00 21.13 C ATOM 992 C ARG A 465 -15.461 -26.173 0.014 1.00 22.43 C ATOM 993 O ARG A 465 -16.017 -26.892 0.807 1.00 2.31 O ATOM 994 CB ARG A 465 -16.024 -23.784 0.456 1.00 44.02 C ATOM 995 CG ARG A 465 -15.639 -22.440 1.053 1.00 23.44 C ATOM 996 CD ARG A 465 -16.820 -21.487 1.014 1.00 30.21 C ATOM 997 NE ARG A 465 -16.528 -20.185 1.616 1.00 34.14 N ATOM 998 CZ ARG A 465 -17.437 -19.217 1.813 1.00 72.33 C ATOM 999 NH1 ARG A 465 -18.701 -19.413 1.453 1.00 24.44 N ATOM 1000 NH2 ARG A 465 -17.074 -18.063 2.368 1.00 4.22 N ATOM 0 H ARG A 465 -13.999 -23.638 -1.022 1.00 72.31 H new ATOM 0 HA ARG A 465 -14.517 -24.911 1.460 1.00 21.13 H new ATOM 0 HB2 ARG A 465 -16.363 -23.626 -0.568 1.00 44.02 H new ATOM 0 HB3 ARG A 465 -16.871 -24.183 1.014 1.00 44.02 H new ATOM 0 HG2 ARG A 465 -15.305 -22.574 2.082 1.00 23.44 H new ATOM 0 HG3 ARG A 465 -14.802 -22.015 0.499 1.00 23.44 H new ATOM 0 HD2 ARG A 465 -17.127 -21.341 -0.022 1.00 30.21 H new ATOM 0 HD3 ARG A 465 -17.663 -21.941 1.536 1.00 30.21 H new ATOM 0 HE ARG A 465 -15.568 -20.001 1.906 1.00 34.14 H new ATOM 0 HH11 ARG A 465 -18.979 -20.298 1.028 1.00 24.44 H new ATOM 0 HH12 ARG A 465 -19.393 -18.679 1.602 1.00 24.44 H new ATOM 0 HH21 ARG A 465 -16.104 -17.913 2.644 1.00 4.22 H new ATOM 0 HH22 ARG A 465 -17.766 -17.329 2.517 1.00 4.22 H new ATOM 1014 N SER A 466 -15.247 -26.522 -1.237 1.00 44.33 N ATOM 1015 CA SER A 466 -15.710 -27.781 -1.776 1.00 23.05 C ATOM 1016 C SER A 466 -14.852 -28.913 -1.217 1.00 53.14 C ATOM 1017 O SER A 466 -15.323 -30.040 -1.044 1.00 63.32 O ATOM 1018 CB SER A 466 -15.630 -27.746 -3.307 1.00 53.12 C ATOM 1019 OG SER A 466 -16.155 -28.923 -3.901 1.00 62.01 O ATOM 0 H SER A 466 -14.747 -25.940 -1.909 1.00 44.33 H new ATOM 0 HA SER A 466 -16.748 -27.950 -1.488 1.00 23.05 H new ATOM 0 HB2 SER A 466 -16.178 -26.879 -3.677 1.00 53.12 H new ATOM 0 HB3 SER A 466 -14.591 -27.620 -3.612 1.00 53.12 H new ATOM 0 HG SER A 466 -16.085 -28.856 -4.876 1.00 62.01 H new ATOM 1025 N GLN A 467 -13.608 -28.594 -0.911 1.00 42.03 N ATOM 1026 CA GLN A 467 -12.676 -29.551 -0.355 1.00 73.04 C ATOM 1027 C GLN A 467 -12.993 -29.782 1.125 1.00 14.43 C ATOM 1028 O GLN A 467 -12.742 -30.866 1.677 1.00 22.35 O ATOM 1029 CB GLN A 467 -11.235 -29.045 -0.560 1.00 74.25 C ATOM 1030 CG GLN A 467 -10.154 -29.976 -0.045 1.00 44.53 C ATOM 1031 CD GLN A 467 -8.765 -29.495 -0.405 1.00 61.14 C ATOM 1032 OE1 GLN A 467 -8.141 -28.743 0.331 1.00 72.34 O ATOM 1033 NE2 GLN A 467 -8.274 -29.929 -1.529 1.00 11.52 N ATOM 0 H GLN A 467 -13.217 -27.661 -1.042 1.00 42.03 H new ATOM 0 HA GLN A 467 -12.772 -30.508 -0.868 1.00 73.04 H new ATOM 0 HB2 GLN A 467 -11.072 -28.876 -1.624 1.00 74.25 H new ATOM 0 HB3 GLN A 467 -11.130 -28.080 -0.064 1.00 74.25 H new ATOM 0 HG2 GLN A 467 -10.237 -30.062 1.038 1.00 44.53 H new ATOM 0 HG3 GLN A 467 -10.309 -30.973 -0.457 1.00 44.53 H new ATOM 0 HE21 GLN A 467 -8.823 -30.555 -2.118 1.00 11.52 H new ATOM 0 HE22 GLN A 467 -7.340 -29.643 -1.822 1.00 11.52 H new ATOM 1042 N GLU A 468 -13.580 -28.772 1.749 1.00 71.30 N ATOM 1043 CA GLU A 468 -13.964 -28.848 3.148 1.00 72.02 C ATOM 1044 C GLU A 468 -15.304 -29.559 3.310 1.00 14.02 C ATOM 1045 O GLU A 468 -15.572 -30.157 4.340 1.00 71.01 O ATOM 1046 CB GLU A 468 -14.085 -27.456 3.753 1.00 41.44 C ATOM 1047 CG GLU A 468 -12.841 -26.607 3.658 1.00 3.45 C ATOM 1048 CD GLU A 468 -13.003 -25.298 4.378 1.00 43.54 C ATOM 1049 OE1 GLU A 468 -12.417 -25.138 5.483 1.00 10.21 O ATOM 1050 OE2 GLU A 468 -13.733 -24.424 3.887 1.00 72.31 O ATOM 0 H GLU A 468 -13.802 -27.882 1.302 1.00 71.30 H new ATOM 0 HA GLU A 468 -13.185 -29.410 3.664 1.00 72.02 H new ATOM 0 HB2 GLU A 468 -14.903 -26.932 3.259 1.00 41.44 H new ATOM 0 HB3 GLU A 468 -14.359 -27.556 4.803 1.00 41.44 H new ATOM 0 HG2 GLU A 468 -11.996 -27.152 4.079 1.00 3.45 H new ATOM 0 HG3 GLU A 468 -12.608 -26.419 2.610 1.00 3.45 H new