USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 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 Single : A 404 SER OG : rot 33:sc= 0.126 USER MOD Single : A 405 LYS NZ :NH3+ 159:sc= -0.0621 (180deg=-0.482) USER MOD Single : A 418 GLN : amide:sc= -0.455 K(o=-0.46,f=-1) USER MOD Single : A 419 SER OG : rot -31:sc= 0.113 USER MOD Single : A 437 MET CE :methyl -155:sc= -0.384 (180deg=-1.87!) USER MOD Single : A 439 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 442 HIS : no HD1:sc= -0.941 K(o=-0.94,f=0.26) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.9!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 72:sc= 0.343 USER MOD Single : A 463 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.59) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -24.529 -30.548 -4.515 1.00 44.32 N ATOM 11 CA SER A 404 -24.260 -29.355 -5.329 1.00 12.54 C ATOM 12 C SER A 404 -24.983 -28.101 -4.788 1.00 74.22 C ATOM 13 O SER A 404 -25.119 -27.107 -5.483 1.00 71.24 O ATOM 14 CB SER A 404 -24.621 -29.626 -6.795 1.00 65.42 C ATOM 15 OG SER A 404 -23.926 -30.784 -7.276 1.00 4.42 O ATOM 0 HA SER A 404 -23.193 -29.142 -5.267 1.00 12.54 H new ATOM 0 HB2 SER A 404 -25.697 -29.774 -6.890 1.00 65.42 H new ATOM 0 HB3 SER A 404 -24.364 -28.760 -7.405 1.00 65.42 H new ATOM 0 HG SER A 404 -23.820 -31.429 -6.546 1.00 4.42 H new ATOM 21 N LYS A 405 -25.376 -28.139 -3.522 1.00 63.14 N ATOM 22 CA LYS A 405 -26.077 -27.013 -2.898 1.00 30.51 C ATOM 23 C LYS A 405 -25.099 -25.904 -2.547 1.00 24.32 C ATOM 24 O LYS A 405 -25.469 -24.752 -2.419 1.00 70.00 O ATOM 25 CB LYS A 405 -26.819 -27.457 -1.637 1.00 40.31 C ATOM 26 CG LYS A 405 -27.880 -28.514 -1.852 1.00 71.15 C ATOM 27 CD LYS A 405 -28.957 -28.042 -2.800 1.00 3.02 C ATOM 28 CE LYS A 405 -30.077 -29.045 -2.882 1.00 4.41 C ATOM 29 NZ LYS A 405 -30.774 -29.196 -1.579 1.00 75.15 N ATOM 0 H LYS A 405 -25.224 -28.935 -2.903 1.00 63.14 H new ATOM 0 HA LYS A 405 -26.804 -26.637 -3.618 1.00 30.51 H new ATOM 0 HB2 LYS A 405 -26.090 -27.837 -0.921 1.00 40.31 H new ATOM 0 HB3 LYS A 405 -27.286 -26.583 -1.183 1.00 40.31 H new ATOM 0 HG2 LYS A 405 -27.418 -29.418 -2.248 1.00 71.15 H new ATOM 0 HG3 LYS A 405 -28.329 -28.779 -0.895 1.00 71.15 H new ATOM 0 HD2 LYS A 405 -29.347 -27.081 -2.464 1.00 3.02 H new ATOM 0 HD3 LYS A 405 -28.531 -27.884 -3.791 1.00 3.02 H new ATOM 0 HE2 LYS A 405 -30.792 -28.732 -3.643 1.00 4.41 H new ATOM 0 HE3 LYS A 405 -29.679 -30.010 -3.196 1.00 4.41 H new ATOM 0 HZ1 LYS A 405 -31.722 -29.594 -1.736 1.00 75.15 H new ATOM 0 HZ2 LYS A 405 -30.228 -29.834 -0.965 1.00 75.15 H new ATOM 0 HZ3 LYS A 405 -30.861 -28.266 -1.122 1.00 75.15 H new ATOM 43 N ILE A 406 -23.856 -26.275 -2.395 1.00 60.15 N ATOM 44 CA ILE A 406 -22.796 -25.346 -2.045 1.00 3.43 C ATOM 45 C ILE A 406 -22.075 -24.887 -3.337 1.00 60.14 C ATOM 46 O ILE A 406 -21.175 -24.056 -3.314 1.00 54.30 O ATOM 47 CB ILE A 406 -21.779 -26.049 -1.062 1.00 13.30 C ATOM 48 CG1 ILE A 406 -20.685 -25.091 -0.555 1.00 14.22 C ATOM 49 CG2 ILE A 406 -21.148 -27.279 -1.713 1.00 72.04 C ATOM 50 CD1 ILE A 406 -21.208 -23.927 0.257 1.00 23.53 C ATOM 0 H ILE A 406 -23.540 -27.238 -2.510 1.00 60.15 H new ATOM 0 HA ILE A 406 -23.216 -24.474 -1.544 1.00 3.43 H new ATOM 0 HB ILE A 406 -22.358 -26.365 -0.194 1.00 13.30 H new ATOM 0 HG12 ILE A 406 -19.977 -25.655 0.053 1.00 14.22 H new ATOM 0 HG13 ILE A 406 -20.132 -24.703 -1.411 1.00 14.22 H new ATOM 0 HG21 ILE A 406 -20.452 -27.744 -1.015 1.00 72.04 H new ATOM 0 HG22 ILE A 406 -21.929 -27.992 -1.976 1.00 72.04 H new ATOM 0 HG23 ILE A 406 -20.612 -26.979 -2.614 1.00 72.04 H new ATOM 0 HD11 ILE A 406 -20.374 -23.302 0.575 1.00 23.53 H new ATOM 0 HD12 ILE A 406 -21.892 -23.337 -0.352 1.00 23.53 H new ATOM 0 HD13 ILE A 406 -21.735 -24.303 1.134 1.00 23.53 H new ATOM 62 N GLU A 407 -22.535 -25.399 -4.460 1.00 54.10 N ATOM 63 CA GLU A 407 -21.872 -25.179 -5.731 1.00 64.32 C ATOM 64 C GLU A 407 -22.129 -23.768 -6.326 1.00 40.13 C ATOM 65 O GLU A 407 -21.170 -23.022 -6.544 1.00 24.04 O ATOM 66 CB GLU A 407 -22.207 -26.305 -6.718 1.00 0.42 C ATOM 67 CG GLU A 407 -21.532 -26.199 -8.065 1.00 44.32 C ATOM 68 CD GLU A 407 -21.920 -27.330 -8.967 1.00 44.51 C ATOM 69 OE1 GLU A 407 -22.913 -27.201 -9.689 1.00 5.44 O ATOM 70 OE2 GLU A 407 -21.238 -28.375 -8.958 1.00 63.12 O ATOM 0 H GLU A 407 -23.374 -25.976 -4.519 1.00 54.10 H new ATOM 0 HA GLU A 407 -20.799 -25.209 -5.540 1.00 64.32 H new ATOM 0 HB2 GLU A 407 -21.932 -27.258 -6.265 1.00 0.42 H new ATOM 0 HB3 GLU A 407 -23.286 -26.324 -6.870 1.00 0.42 H new ATOM 0 HG2 GLU A 407 -21.799 -25.252 -8.533 1.00 44.32 H new ATOM 0 HG3 GLU A 407 -20.450 -26.194 -7.931 1.00 44.32 H new ATOM 77 N PRO A 408 -23.415 -23.366 -6.582 1.00 32.34 N ATOM 78 CA PRO A 408 -23.725 -22.050 -7.190 1.00 65.34 C ATOM 79 C PRO A 408 -23.523 -20.877 -6.227 1.00 71.15 C ATOM 80 O PRO A 408 -23.411 -19.733 -6.656 1.00 22.03 O ATOM 81 CB PRO A 408 -25.212 -22.176 -7.536 1.00 63.51 C ATOM 82 CG PRO A 408 -25.738 -23.139 -6.531 1.00 44.23 C ATOM 83 CD PRO A 408 -24.658 -24.146 -6.342 1.00 52.54 C ATOM 0 HA PRO A 408 -23.070 -21.838 -8.035 1.00 65.34 H new ATOM 0 HB2 PRO A 408 -25.720 -21.214 -7.470 1.00 63.51 H new ATOM 0 HB3 PRO A 408 -25.355 -22.543 -8.552 1.00 63.51 H new ATOM 0 HG2 PRO A 408 -25.975 -22.637 -5.593 1.00 44.23 H new ATOM 0 HG3 PRO A 408 -26.656 -23.610 -6.882 1.00 44.23 H new ATOM 0 HD2 PRO A 408 -24.677 -24.573 -5.339 1.00 52.54 H new ATOM 0 HD3 PRO A 408 -24.754 -24.975 -7.043 1.00 52.54 H new ATOM 91 N VAL A 409 -23.440 -21.183 -4.938 1.00 14.11 N ATOM 92 CA VAL A 409 -23.365 -20.167 -3.876 1.00 20.54 C ATOM 93 C VAL A 409 -22.158 -19.222 -4.038 1.00 32.44 C ATOM 94 O VAL A 409 -22.226 -18.042 -3.682 1.00 13.23 O ATOM 95 CB VAL A 409 -23.336 -20.835 -2.471 1.00 72.03 C ATOM 96 CG1 VAL A 409 -23.270 -19.797 -1.362 1.00 53.43 C ATOM 97 CG2 VAL A 409 -24.552 -21.719 -2.281 1.00 61.11 C ATOM 0 H VAL A 409 -23.422 -22.142 -4.591 1.00 14.11 H new ATOM 0 HA VAL A 409 -24.265 -19.559 -3.967 1.00 20.54 H new ATOM 0 HB VAL A 409 -22.436 -21.447 -2.415 1.00 72.03 H new ATOM 0 HG11 VAL A 409 -23.251 -20.299 -0.395 1.00 53.43 H new ATOM 0 HG12 VAL A 409 -22.367 -19.198 -1.478 1.00 53.43 H new ATOM 0 HG13 VAL A 409 -24.145 -19.149 -1.418 1.00 53.43 H new ATOM 0 HG21 VAL A 409 -24.517 -22.179 -1.293 1.00 61.11 H new ATOM 0 HG22 VAL A 409 -25.457 -21.117 -2.369 1.00 61.11 H new ATOM 0 HG23 VAL A 409 -24.559 -22.498 -3.044 1.00 61.11 H new ATOM 107 N VAL A 410 -21.088 -19.725 -4.608 1.00 20.24 N ATOM 108 CA VAL A 410 -19.869 -18.936 -4.743 1.00 12.35 C ATOM 109 C VAL A 410 -19.987 -17.795 -5.754 1.00 23.14 C ATOM 110 O VAL A 410 -19.219 -16.837 -5.693 1.00 54.30 O ATOM 111 CB VAL A 410 -18.627 -19.802 -5.034 1.00 71.30 C ATOM 112 CG1 VAL A 410 -18.377 -20.736 -3.873 1.00 40.44 C ATOM 113 CG2 VAL A 410 -18.791 -20.590 -6.327 1.00 75.30 C ATOM 0 H VAL A 410 -21.029 -20.670 -4.986 1.00 20.24 H new ATOM 0 HA VAL A 410 -19.730 -18.476 -3.765 1.00 12.35 H new ATOM 0 HB VAL A 410 -17.768 -19.143 -5.158 1.00 71.30 H new ATOM 0 HG11 VAL A 410 -17.499 -21.347 -4.080 1.00 40.44 H new ATOM 0 HG12 VAL A 410 -18.208 -20.154 -2.967 1.00 40.44 H new ATOM 0 HG13 VAL A 410 -19.244 -21.382 -3.732 1.00 40.44 H new ATOM 0 HG21 VAL A 410 -17.898 -21.190 -6.503 1.00 75.30 H new ATOM 0 HG22 VAL A 410 -19.658 -21.245 -6.246 1.00 75.30 H new ATOM 0 HG23 VAL A 410 -18.934 -19.900 -7.158 1.00 75.30 H new ATOM 123 N LEU A 411 -20.951 -17.883 -6.662 1.00 13.43 N ATOM 124 CA LEU A 411 -21.140 -16.820 -7.637 1.00 33.42 C ATOM 125 C LEU A 411 -21.626 -15.522 -7.001 1.00 24.43 C ATOM 126 O LEU A 411 -20.943 -14.504 -7.125 1.00 71.21 O ATOM 127 CB LEU A 411 -22.000 -17.214 -8.858 1.00 70.22 C ATOM 128 CG LEU A 411 -21.367 -18.174 -9.882 1.00 24.40 C ATOM 129 CD1 LEU A 411 -21.159 -19.570 -9.316 1.00 0.34 C ATOM 130 CD2 LEU A 411 -22.191 -18.218 -11.146 1.00 30.44 C ATOM 0 H LEU A 411 -21.602 -18.664 -6.743 1.00 13.43 H new ATOM 0 HA LEU A 411 -20.141 -16.640 -8.035 1.00 33.42 H new ATOM 0 HB2 LEU A 411 -22.920 -17.670 -8.491 1.00 70.22 H new ATOM 0 HB3 LEU A 411 -22.283 -16.301 -9.381 1.00 70.22 H new ATOM 0 HG LEU A 411 -20.378 -17.784 -10.123 1.00 24.40 H new ATOM 0 HD11 LEU A 411 -20.710 -20.208 -10.077 1.00 0.34 H new ATOM 0 HD12 LEU A 411 -20.498 -19.517 -8.451 1.00 0.34 H new ATOM 0 HD13 LEU A 411 -22.120 -19.987 -9.013 1.00 0.34 H new ATOM 0 HD21 LEU A 411 -21.729 -18.901 -11.858 1.00 30.44 H new ATOM 0 HD22 LEU A 411 -23.198 -18.564 -10.912 1.00 30.44 H new ATOM 0 HD23 LEU A 411 -22.242 -17.220 -11.582 1.00 30.44 H new ATOM 142 N PRO A 412 -22.807 -15.512 -6.289 1.00 72.32 N ATOM 143 CA PRO A 412 -23.294 -14.303 -5.649 1.00 25.25 C ATOM 144 C PRO A 412 -22.267 -13.719 -4.685 1.00 45.42 C ATOM 145 O PRO A 412 -22.058 -12.505 -4.655 1.00 31.32 O ATOM 146 CB PRO A 412 -24.543 -14.747 -4.888 1.00 63.44 C ATOM 147 CG PRO A 412 -24.995 -15.969 -5.588 1.00 3.33 C ATOM 148 CD PRO A 412 -23.751 -16.639 -6.089 1.00 32.25 C ATOM 0 HA PRO A 412 -23.497 -13.519 -6.379 1.00 25.25 H new ATOM 0 HB2 PRO A 412 -24.317 -14.951 -3.841 1.00 63.44 H new ATOM 0 HB3 PRO A 412 -25.312 -13.974 -4.904 1.00 63.44 H new ATOM 0 HG2 PRO A 412 -25.547 -16.624 -4.914 1.00 3.33 H new ATOM 0 HG3 PRO A 412 -25.665 -15.722 -6.412 1.00 3.33 H new ATOM 0 HD2 PRO A 412 -23.367 -17.362 -5.369 1.00 32.25 H new ATOM 0 HD3 PRO A 412 -23.933 -17.180 -7.018 1.00 32.25 H new ATOM 156 N LEU A 413 -21.603 -14.601 -3.926 1.00 52.23 N ATOM 157 CA LEU A 413 -20.592 -14.187 -2.957 1.00 10.01 C ATOM 158 C LEU A 413 -19.493 -13.382 -3.618 1.00 72.42 C ATOM 159 O LEU A 413 -19.087 -12.340 -3.113 1.00 5.22 O ATOM 160 CB LEU A 413 -19.996 -15.389 -2.245 1.00 44.43 C ATOM 161 CG LEU A 413 -20.966 -16.225 -1.415 1.00 20.04 C ATOM 162 CD1 LEU A 413 -20.214 -17.324 -0.725 1.00 33.31 C ATOM 163 CD2 LEU A 413 -21.705 -15.363 -0.396 1.00 24.01 C ATOM 0 H LEU A 413 -21.752 -15.609 -3.969 1.00 52.23 H new ATOM 0 HA LEU A 413 -21.088 -13.554 -2.221 1.00 10.01 H new ATOM 0 HB2 LEU A 413 -19.536 -16.037 -2.991 1.00 44.43 H new ATOM 0 HB3 LEU A 413 -19.197 -15.039 -1.591 1.00 44.43 H new ATOM 0 HG LEU A 413 -21.711 -16.659 -2.082 1.00 20.04 H new ATOM 0 HD11 LEU A 413 -20.906 -17.922 -0.132 1.00 33.31 H new ATOM 0 HD12 LEU A 413 -19.733 -17.958 -1.469 1.00 33.31 H new ATOM 0 HD13 LEU A 413 -19.456 -16.892 -0.072 1.00 33.31 H new ATOM 0 HD21 LEU A 413 -22.389 -15.986 0.180 1.00 24.01 H new ATOM 0 HD22 LEU A 413 -20.985 -14.897 0.276 1.00 24.01 H new ATOM 0 HD23 LEU A 413 -22.270 -14.589 -0.916 1.00 24.01 H new ATOM 175 N LEU A 414 -19.055 -13.846 -4.774 1.00 70.44 N ATOM 176 CA LEU A 414 -18.010 -13.184 -5.528 1.00 41.22 C ATOM 177 C LEU A 414 -18.453 -11.778 -5.954 1.00 42.22 C ATOM 178 O LEU A 414 -17.661 -10.824 -5.916 1.00 5.52 O ATOM 179 CB LEU A 414 -17.635 -14.028 -6.750 1.00 62.41 C ATOM 180 CG LEU A 414 -16.520 -13.484 -7.643 1.00 4.22 C ATOM 181 CD1 LEU A 414 -15.217 -13.346 -6.866 1.00 21.44 C ATOM 182 CD2 LEU A 414 -16.332 -14.382 -8.850 1.00 14.25 C ATOM 0 H LEU A 414 -19.415 -14.692 -5.215 1.00 70.44 H new ATOM 0 HA LEU A 414 -17.132 -13.079 -4.891 1.00 41.22 H new ATOM 0 HB2 LEU A 414 -17.340 -15.018 -6.402 1.00 62.41 H new ATOM 0 HB3 LEU A 414 -18.528 -14.158 -7.361 1.00 62.41 H new ATOM 0 HG LEU A 414 -16.809 -12.491 -7.988 1.00 4.22 H new ATOM 0 HD11 LEU A 414 -14.440 -12.957 -7.524 1.00 21.44 H new ATOM 0 HD12 LEU A 414 -15.362 -12.660 -6.031 1.00 21.44 H new ATOM 0 HD13 LEU A 414 -14.915 -14.322 -6.486 1.00 21.44 H new ATOM 0 HD21 LEU A 414 -15.535 -13.984 -9.479 1.00 14.25 H new ATOM 0 HD22 LEU A 414 -16.066 -15.386 -8.519 1.00 14.25 H new ATOM 0 HD23 LEU A 414 -17.259 -14.422 -9.422 1.00 14.25 H new ATOM 194 N TRP A 415 -19.727 -11.641 -6.324 1.00 21.00 N ATOM 195 CA TRP A 415 -20.253 -10.354 -6.740 1.00 75.53 C ATOM 196 C TRP A 415 -20.285 -9.389 -5.553 1.00 72.04 C ATOM 197 O TRP A 415 -20.021 -8.188 -5.702 1.00 15.02 O ATOM 198 CB TRP A 415 -21.657 -10.464 -7.360 1.00 0.34 C ATOM 199 CG TRP A 415 -21.789 -11.463 -8.485 1.00 72.32 C ATOM 200 CD1 TRP A 415 -22.794 -12.364 -8.634 1.00 62.12 C ATOM 201 CD2 TRP A 415 -20.889 -11.687 -9.593 1.00 44.34 C ATOM 202 NE1 TRP A 415 -22.601 -13.123 -9.755 1.00 42.54 N ATOM 203 CE2 TRP A 415 -21.439 -12.736 -10.363 1.00 54.24 C ATOM 204 CE3 TRP A 415 -19.685 -11.108 -10.013 1.00 14.11 C ATOM 205 CZ2 TRP A 415 -20.828 -13.215 -11.516 1.00 63.40 C ATOM 206 CZ3 TRP A 415 -19.083 -11.588 -11.159 1.00 22.54 C ATOM 207 CH2 TRP A 415 -19.654 -12.630 -11.898 1.00 23.01 C ATOM 0 H TRP A 415 -20.404 -12.403 -6.342 1.00 21.00 H new ATOM 0 HA TRP A 415 -19.585 -9.971 -7.511 1.00 75.53 H new ATOM 0 HB2 TRP A 415 -22.363 -10.731 -6.574 1.00 0.34 H new ATOM 0 HB3 TRP A 415 -21.950 -9.482 -7.732 1.00 0.34 H new ATOM 0 HD1 TRP A 415 -23.631 -12.467 -7.959 1.00 62.12 H new ATOM 0 HE1 TRP A 415 -23.224 -13.860 -10.085 1.00 42.54 H new ATOM 0 HE3 TRP A 415 -19.236 -10.302 -9.452 1.00 14.11 H new ATOM 0 HZ2 TRP A 415 -21.265 -14.020 -12.089 1.00 63.40 H new ATOM 0 HZ3 TRP A 415 -18.153 -11.151 -11.492 1.00 22.54 H new ATOM 0 HH2 TRP A 415 -19.156 -12.980 -12.790 1.00 23.01 H new ATOM 218 N PHE A 416 -20.569 -9.918 -4.365 1.00 60.32 N ATOM 219 CA PHE A 416 -20.603 -9.092 -3.165 1.00 72.42 C ATOM 220 C PHE A 416 -19.209 -8.646 -2.775 1.00 32.40 C ATOM 221 O PHE A 416 -19.030 -7.575 -2.179 1.00 61.52 O ATOM 222 CB PHE A 416 -21.277 -9.794 -1.971 1.00 43.12 C ATOM 223 CG PHE A 416 -22.762 -10.051 -2.111 1.00 74.42 C ATOM 224 CD1 PHE A 416 -23.663 -9.003 -2.098 1.00 24.21 C ATOM 225 CD2 PHE A 416 -23.252 -11.337 -2.226 1.00 43.13 C ATOM 226 CE1 PHE A 416 -25.021 -9.230 -2.202 1.00 51.24 C ATOM 227 CE2 PHE A 416 -24.610 -11.574 -2.335 1.00 12.11 C ATOM 228 CZ PHE A 416 -25.495 -10.518 -2.321 1.00 22.33 C ATOM 0 H PHE A 416 -20.777 -10.905 -4.210 1.00 60.32 H new ATOM 0 HA PHE A 416 -21.208 -8.221 -3.415 1.00 72.42 H new ATOM 0 HB2 PHE A 416 -20.776 -10.748 -1.805 1.00 43.12 H new ATOM 0 HB3 PHE A 416 -21.115 -9.189 -1.079 1.00 43.12 H new ATOM 0 HD1 PHE A 416 -23.299 -7.990 -2.005 1.00 24.21 H new ATOM 0 HD2 PHE A 416 -22.564 -12.170 -2.231 1.00 43.13 H new ATOM 0 HE1 PHE A 416 -25.711 -8.399 -2.190 1.00 51.24 H new ATOM 0 HE2 PHE A 416 -24.976 -12.585 -2.431 1.00 12.11 H new ATOM 0 HZ PHE A 416 -26.556 -10.699 -2.403 1.00 22.33 H new ATOM 238 N GLU A 417 -18.232 -9.446 -3.128 1.00 30.42 N ATOM 239 CA GLU A 417 -16.857 -9.172 -2.809 1.00 33.40 C ATOM 240 C GLU A 417 -16.261 -8.118 -3.708 1.00 31.04 C ATOM 241 O GLU A 417 -15.476 -7.296 -3.256 1.00 41.10 O ATOM 242 CB GLU A 417 -16.022 -10.445 -2.873 1.00 13.12 C ATOM 243 CG GLU A 417 -16.361 -11.456 -1.802 1.00 61.34 C ATOM 244 CD GLU A 417 -16.191 -10.886 -0.422 1.00 13.20 C ATOM 245 OE1 GLU A 417 -17.188 -10.474 0.195 1.00 3.42 O ATOM 246 OE2 GLU A 417 -15.051 -10.821 0.069 1.00 23.34 O ATOM 0 H GLU A 417 -18.373 -10.312 -3.649 1.00 30.42 H new ATOM 0 HA GLU A 417 -16.841 -8.785 -1.790 1.00 33.40 H new ATOM 0 HB2 GLU A 417 -16.157 -10.907 -3.851 1.00 13.12 H new ATOM 0 HB3 GLU A 417 -14.968 -10.181 -2.788 1.00 13.12 H new ATOM 0 HG2 GLU A 417 -17.390 -11.792 -1.932 1.00 61.34 H new ATOM 0 HG3 GLU A 417 -15.723 -12.332 -1.914 1.00 61.34 H new ATOM 253 N GLN A 418 -16.640 -8.134 -4.964 1.00 23.41 N ATOM 254 CA GLN A 418 -16.052 -7.228 -5.928 1.00 3.41 C ATOM 255 C GLN A 418 -16.553 -5.778 -5.813 1.00 1.34 C ATOM 256 O GLN A 418 -15.770 -4.846 -5.932 1.00 52.10 O ATOM 257 CB GLN A 418 -16.109 -7.816 -7.372 1.00 44.32 C ATOM 258 CG GLN A 418 -17.503 -8.116 -7.955 1.00 2.13 C ATOM 259 CD GLN A 418 -18.293 -6.883 -8.376 1.00 62.04 C ATOM 260 OE1 GLN A 418 -17.731 -5.867 -8.777 1.00 45.01 O ATOM 261 NE2 GLN A 418 -19.592 -6.962 -8.273 1.00 32.43 N ATOM 0 H GLN A 418 -17.350 -8.761 -5.343 1.00 23.41 H new ATOM 0 HA GLN A 418 -14.995 -7.145 -5.674 1.00 3.41 H new ATOM 0 HB2 GLN A 418 -15.606 -7.118 -8.041 1.00 44.32 H new ATOM 0 HB3 GLN A 418 -15.532 -8.741 -7.383 1.00 44.32 H new ATOM 0 HG2 GLN A 418 -17.388 -8.770 -8.819 1.00 2.13 H new ATOM 0 HG3 GLN A 418 -18.082 -8.667 -7.213 1.00 2.13 H new ATOM 0 HE21 GLN A 418 -20.026 -7.822 -7.936 1.00 32.43 H new ATOM 0 HE22 GLN A 418 -20.173 -6.164 -8.529 1.00 32.43 H new ATOM 270 N SER A 419 -17.838 -5.592 -5.567 1.00 24.32 N ATOM 271 CA SER A 419 -18.388 -4.245 -5.489 1.00 72.22 C ATOM 272 C SER A 419 -18.579 -3.799 -4.031 1.00 44.23 C ATOM 273 O SER A 419 -18.835 -2.620 -3.750 1.00 11.32 O ATOM 274 CB SER A 419 -19.714 -4.166 -6.276 1.00 64.12 C ATOM 275 OG SER A 419 -20.220 -2.830 -6.354 1.00 12.42 O ATOM 0 H SER A 419 -18.513 -6.342 -5.419 1.00 24.32 H new ATOM 0 HA SER A 419 -17.674 -3.558 -5.943 1.00 72.22 H new ATOM 0 HB2 SER A 419 -19.560 -4.553 -7.283 1.00 64.12 H new ATOM 0 HB3 SER A 419 -20.456 -4.806 -5.799 1.00 64.12 H new ATOM 0 HG SER A 419 -19.962 -2.335 -5.549 1.00 12.42 H new ATOM 281 N GLY A 420 -18.440 -4.739 -3.104 1.00 73.21 N ATOM 282 CA GLY A 420 -18.699 -4.436 -1.706 1.00 62.31 C ATOM 283 C GLY A 420 -20.191 -4.364 -1.453 1.00 41.04 C ATOM 284 O GLY A 420 -20.650 -3.755 -0.496 1.00 55.35 O ATOM 0 H GLY A 420 -18.155 -5.700 -3.292 1.00 73.21 H new ATOM 0 HA2 GLY A 420 -18.252 -5.201 -1.072 1.00 62.31 H new ATOM 0 HA3 GLY A 420 -18.232 -3.488 -1.439 1.00 62.31 H new ATOM 288 N ALA A 421 -20.933 -5.047 -2.316 1.00 52.11 N ATOM 289 CA ALA A 421 -22.390 -5.014 -2.336 1.00 50.21 C ATOM 290 C ALA A 421 -23.039 -5.545 -1.053 1.00 24.24 C ATOM 291 O ALA A 421 -24.168 -5.190 -0.745 1.00 63.55 O ATOM 292 CB ALA A 421 -22.917 -5.734 -3.569 1.00 74.11 C ATOM 0 H ALA A 421 -20.532 -5.650 -3.034 1.00 52.11 H new ATOM 0 HA ALA A 421 -22.677 -3.964 -2.387 1.00 50.21 H new ATOM 0 HB1 ALA A 421 -24.007 -5.702 -3.571 1.00 74.11 H new ATOM 0 HB2 ALA A 421 -22.538 -5.245 -4.466 1.00 74.11 H new ATOM 0 HB3 ALA A 421 -22.585 -6.772 -3.554 1.00 74.11 H new ATOM 535 N MET A 437 -14.479 12.056 -8.143 1.00 74.00 N ATOM 536 CA MET A 437 -13.286 12.338 -7.373 1.00 12.13 C ATOM 537 C MET A 437 -11.991 11.869 -8.062 1.00 65.21 C ATOM 538 O MET A 437 -11.748 10.669 -8.184 1.00 4.52 O ATOM 539 CB MET A 437 -13.445 11.718 -6.009 1.00 15.25 C ATOM 540 CG MET A 437 -12.368 12.049 -5.012 1.00 3.32 C ATOM 541 SD MET A 437 -12.704 11.286 -3.423 1.00 3.44 S ATOM 542 CE MET A 437 -14.363 11.902 -3.126 1.00 72.22 C ATOM 0 HA MET A 437 -13.181 13.419 -7.285 1.00 12.13 H new ATOM 0 HB2 MET A 437 -14.404 12.032 -5.597 1.00 15.25 H new ATOM 0 HB3 MET A 437 -13.487 10.635 -6.125 1.00 15.25 H new ATOM 0 HG2 MET A 437 -11.403 11.707 -5.387 1.00 3.32 H new ATOM 0 HG3 MET A 437 -12.298 13.130 -4.893 1.00 3.32 H new ATOM 0 HE1 MET A 437 -14.559 11.916 -2.054 1.00 72.22 H new ATOM 0 HE2 MET A 437 -14.453 12.913 -3.524 1.00 72.22 H new ATOM 0 HE3 MET A 437 -15.086 11.252 -3.619 1.00 72.22 H new ATOM 552 N PRO A 438 -11.146 12.812 -8.517 1.00 31.41 N ATOM 553 CA PRO A 438 -9.851 12.494 -9.146 1.00 30.14 C ATOM 554 C PRO A 438 -8.910 11.709 -8.214 1.00 21.34 C ATOM 555 O PRO A 438 -8.171 10.831 -8.664 1.00 14.52 O ATOM 556 CB PRO A 438 -9.243 13.869 -9.444 1.00 14.23 C ATOM 557 CG PRO A 438 -10.393 14.807 -9.465 1.00 23.44 C ATOM 558 CD PRO A 438 -11.399 14.264 -8.497 1.00 41.51 C ATOM 0 HA PRO A 438 -9.987 11.862 -10.024 1.00 30.14 H new ATOM 0 HB2 PRO A 438 -8.518 14.152 -8.681 1.00 14.23 H new ATOM 0 HB3 PRO A 438 -8.718 13.869 -10.399 1.00 14.23 H new ATOM 0 HG2 PRO A 438 -10.081 15.811 -9.178 1.00 23.44 H new ATOM 0 HG3 PRO A 438 -10.817 14.879 -10.466 1.00 23.44 H new ATOM 0 HD2 PRO A 438 -11.262 14.682 -7.499 1.00 41.51 H new ATOM 0 HD3 PRO A 438 -12.418 14.498 -8.804 1.00 41.51 H new ATOM 566 N GLN A 439 -8.951 12.026 -6.922 1.00 73.45 N ATOM 567 CA GLN A 439 -8.076 11.392 -5.925 1.00 32.11 C ATOM 568 C GLN A 439 -8.219 9.870 -5.919 1.00 1.41 C ATOM 569 O GLN A 439 -7.221 9.146 -5.990 1.00 2.10 O ATOM 570 CB GLN A 439 -8.369 11.970 -4.540 1.00 1.02 C ATOM 571 CG GLN A 439 -7.579 11.358 -3.400 1.00 41.23 C ATOM 572 CD GLN A 439 -7.884 12.023 -2.073 1.00 63.33 C ATOM 573 OE1 GLN A 439 -8.998 12.531 -1.845 1.00 22.32 O ATOM 574 NE2 GLN A 439 -6.922 12.030 -1.191 1.00 50.03 N ATOM 0 H GLN A 439 -9.585 12.724 -6.533 1.00 73.45 H new ATOM 0 HA GLN A 439 -7.043 11.611 -6.197 1.00 32.11 H new ATOM 0 HB2 GLN A 439 -8.171 13.042 -4.563 1.00 1.02 H new ATOM 0 HB3 GLN A 439 -9.432 11.847 -4.331 1.00 1.02 H new ATOM 0 HG2 GLN A 439 -7.806 10.294 -3.332 1.00 41.23 H new ATOM 0 HG3 GLN A 439 -6.513 11.444 -3.611 1.00 41.23 H new ATOM 0 HE21 GLN A 439 -6.023 11.604 -1.414 1.00 50.03 H new ATOM 0 HE22 GLN A 439 -7.070 12.462 -0.279 1.00 50.03 H new ATOM 583 N VAL A 440 -9.441 9.396 -5.898 1.00 44.53 N ATOM 584 CA VAL A 440 -9.702 7.967 -5.899 1.00 3.44 C ATOM 585 C VAL A 440 -9.477 7.360 -7.274 1.00 32.25 C ATOM 586 O VAL A 440 -9.160 6.190 -7.388 1.00 11.25 O ATOM 587 CB VAL A 440 -11.086 7.588 -5.344 1.00 62.42 C ATOM 588 CG1 VAL A 440 -11.202 7.987 -3.883 1.00 61.23 C ATOM 589 CG2 VAL A 440 -12.160 8.235 -6.151 1.00 40.15 C ATOM 0 H VAL A 440 -10.278 9.978 -5.880 1.00 44.53 H new ATOM 0 HA VAL A 440 -8.976 7.538 -5.209 1.00 3.44 H new ATOM 0 HB VAL A 440 -11.204 6.507 -5.413 1.00 62.42 H new ATOM 0 HG11 VAL A 440 -12.187 7.711 -3.508 1.00 61.23 H new ATOM 0 HG12 VAL A 440 -10.436 7.472 -3.303 1.00 61.23 H new ATOM 0 HG13 VAL A 440 -11.066 9.064 -3.788 1.00 61.23 H new ATOM 0 HG21 VAL A 440 -13.134 7.959 -5.748 1.00 40.15 H new ATOM 0 HG22 VAL A 440 -12.044 9.318 -6.110 1.00 40.15 H new ATOM 0 HG23 VAL A 440 -12.088 7.902 -7.186 1.00 40.15 H new ATOM 599 N LEU A 441 -9.668 8.169 -8.316 1.00 45.42 N ATOM 600 CA LEU A 441 -9.436 7.752 -9.704 1.00 64.04 C ATOM 601 C LEU A 441 -7.988 7.226 -9.852 1.00 30.34 C ATOM 602 O LEU A 441 -7.731 6.284 -10.597 1.00 31.24 O ATOM 603 CB LEU A 441 -9.752 8.952 -10.658 1.00 2.23 C ATOM 604 CG LEU A 441 -9.707 8.748 -12.200 1.00 23.01 C ATOM 605 CD1 LEU A 441 -10.328 9.955 -12.882 1.00 71.01 C ATOM 606 CD2 LEU A 441 -8.277 8.591 -12.714 1.00 64.41 C ATOM 0 H LEU A 441 -9.988 9.133 -8.224 1.00 45.42 H new ATOM 0 HA LEU A 441 -10.099 6.933 -9.981 1.00 64.04 H new ATOM 0 HB2 LEU A 441 -10.749 9.313 -10.407 1.00 2.23 H new ATOM 0 HB3 LEU A 441 -9.053 9.753 -10.416 1.00 2.23 H new ATOM 0 HG LEU A 441 -10.259 7.836 -12.428 1.00 23.01 H new ATOM 0 HD11 LEU A 441 -10.299 9.817 -13.963 1.00 71.01 H new ATOM 0 HD12 LEU A 441 -11.363 10.064 -12.558 1.00 71.01 H new ATOM 0 HD13 LEU A 441 -9.768 10.852 -12.615 1.00 71.01 H new ATOM 0 HD21 LEU A 441 -8.292 8.451 -13.795 1.00 64.41 H new ATOM 0 HD22 LEU A 441 -7.703 9.486 -12.472 1.00 64.41 H new ATOM 0 HD23 LEU A 441 -7.814 7.724 -12.242 1.00 64.41 H new ATOM 618 N HIS A 442 -7.058 7.818 -9.104 1.00 21.45 N ATOM 619 CA HIS A 442 -5.669 7.335 -9.092 1.00 23.22 C ATOM 620 C HIS A 442 -5.597 5.934 -8.502 1.00 51.31 C ATOM 621 O HIS A 442 -4.858 5.082 -8.977 1.00 62.41 O ATOM 622 CB HIS A 442 -4.738 8.276 -8.325 1.00 21.31 C ATOM 623 CG HIS A 442 -4.461 9.575 -9.009 1.00 4.43 C ATOM 624 ND1 HIS A 442 -3.328 9.795 -9.737 1.00 41.41 N ATOM 625 CD2 HIS A 442 -5.156 10.731 -9.055 1.00 31.23 C ATOM 626 CE1 HIS A 442 -3.330 11.014 -10.202 1.00 30.32 C ATOM 627 NE2 HIS A 442 -4.426 11.607 -9.808 1.00 0.53 N ATOM 0 H HIS A 442 -7.233 8.624 -8.503 1.00 21.45 H new ATOM 0 HA HIS A 442 -5.330 7.308 -10.127 1.00 23.22 H new ATOM 0 HB2 HIS A 442 -5.176 8.482 -7.348 1.00 21.31 H new ATOM 0 HB3 HIS A 442 -3.792 7.765 -8.149 1.00 21.31 H new ATOM 0 HD2 HIS A 442 -6.109 10.927 -8.586 1.00 31.23 H new ATOM 0 HE1 HIS A 442 -2.556 11.458 -10.810 1.00 30.32 H new ATOM 0 HE2 HIS A 442 -4.693 12.567 -10.027 1.00 0.53 H new ATOM 636 N TYR A 443 -6.400 5.700 -7.487 1.00 3.14 N ATOM 637 CA TYR A 443 -6.475 4.410 -6.829 1.00 15.22 C ATOM 638 C TYR A 443 -7.159 3.388 -7.702 1.00 30.34 C ATOM 639 O TYR A 443 -6.892 2.211 -7.599 1.00 31.34 O ATOM 640 CB TYR A 443 -7.134 4.516 -5.457 1.00 3.14 C ATOM 641 CG TYR A 443 -6.282 5.264 -4.465 1.00 51.20 C ATOM 642 CD1 TYR A 443 -6.382 6.633 -4.317 1.00 1.40 C ATOM 643 CD2 TYR A 443 -5.371 4.590 -3.685 1.00 24.31 C ATOM 644 CE1 TYR A 443 -5.593 7.309 -3.418 1.00 73.12 C ATOM 645 CE2 TYR A 443 -4.579 5.252 -2.779 1.00 73.02 C ATOM 646 CZ TYR A 443 -4.691 6.612 -2.648 1.00 43.03 C ATOM 647 OH TYR A 443 -3.894 7.283 -1.739 1.00 45.44 O ATOM 0 H TYR A 443 -7.024 6.403 -7.091 1.00 3.14 H new ATOM 0 HA TYR A 443 -5.454 4.065 -6.666 1.00 15.22 H new ATOM 0 HB2 TYR A 443 -8.096 5.019 -5.557 1.00 3.14 H new ATOM 0 HB3 TYR A 443 -7.336 3.515 -5.076 1.00 3.14 H new ATOM 0 HD1 TYR A 443 -7.092 7.182 -4.918 1.00 1.40 H new ATOM 0 HD2 TYR A 443 -5.277 3.519 -3.787 1.00 24.31 H new ATOM 0 HE1 TYR A 443 -5.680 8.381 -3.317 1.00 73.12 H new ATOM 0 HE2 TYR A 443 -3.872 4.704 -2.173 1.00 73.02 H new ATOM 0 HH TYR A 443 -3.314 6.642 -1.277 1.00 45.44 H new ATOM 657 N ALA A 444 -8.036 3.855 -8.566 1.00 64.11 N ATOM 658 CA ALA A 444 -8.751 3.005 -9.518 1.00 54.54 C ATOM 659 C ALA A 444 -7.775 2.306 -10.442 1.00 25.11 C ATOM 660 O ALA A 444 -7.991 1.163 -10.843 1.00 20.15 O ATOM 661 CB ALA A 444 -9.742 3.821 -10.322 1.00 30.42 C ATOM 0 H ALA A 444 -8.281 4.843 -8.634 1.00 64.11 H new ATOM 0 HA ALA A 444 -9.300 2.250 -8.956 1.00 54.54 H new ATOM 0 HB1 ALA A 444 -10.264 3.171 -11.024 1.00 30.42 H new ATOM 0 HB2 ALA A 444 -10.465 4.282 -9.649 1.00 30.42 H new ATOM 0 HB3 ALA A 444 -9.212 4.598 -10.872 1.00 30.42 H new ATOM 667 N GLN A 445 -6.688 2.998 -10.757 1.00 65.40 N ATOM 668 CA GLN A 445 -5.625 2.438 -11.571 1.00 72.43 C ATOM 669 C GLN A 445 -4.998 1.259 -10.835 1.00 15.14 C ATOM 670 O GLN A 445 -4.607 0.265 -11.438 1.00 72.43 O ATOM 671 CB GLN A 445 -4.572 3.511 -11.869 1.00 71.13 C ATOM 672 CG GLN A 445 -5.106 4.711 -12.648 1.00 73.22 C ATOM 673 CD GLN A 445 -5.557 4.376 -14.070 1.00 11.44 C ATOM 674 OE1 GLN A 445 -5.999 3.259 -14.373 1.00 53.33 O ATOM 675 NE2 GLN A 445 -5.443 5.330 -14.946 1.00 14.23 N ATOM 0 H GLN A 445 -6.522 3.958 -10.456 1.00 65.40 H new ATOM 0 HA GLN A 445 -6.034 2.089 -12.519 1.00 72.43 H new ATOM 0 HB2 GLN A 445 -4.150 3.862 -10.927 1.00 71.13 H new ATOM 0 HB3 GLN A 445 -3.757 3.058 -12.434 1.00 71.13 H new ATOM 0 HG2 GLN A 445 -5.946 5.141 -12.103 1.00 73.22 H new ATOM 0 HG3 GLN A 445 -4.331 5.476 -12.694 1.00 73.22 H new ATOM 0 HE21 GLN A 445 -5.075 6.239 -14.665 1.00 14.23 H new ATOM 0 HE22 GLN A 445 -5.721 5.169 -15.914 1.00 14.23 H new ATOM 684 N TYR A 446 -4.916 1.379 -9.533 1.00 23.34 N ATOM 685 CA TYR A 446 -4.433 0.315 -8.687 1.00 41.35 C ATOM 686 C TYR A 446 -5.481 -0.787 -8.547 1.00 73.21 C ATOM 687 O TYR A 446 -5.150 -1.966 -8.575 1.00 43.24 O ATOM 688 CB TYR A 446 -4.011 0.854 -7.326 1.00 1.32 C ATOM 689 CG TYR A 446 -2.776 1.728 -7.371 1.00 53.14 C ATOM 690 CD1 TYR A 446 -2.870 3.108 -7.403 1.00 65.34 C ATOM 691 CD2 TYR A 446 -1.510 1.162 -7.375 1.00 45.33 C ATOM 692 CE1 TYR A 446 -1.747 3.901 -7.434 1.00 72.45 C ATOM 693 CE2 TYR A 446 -0.378 1.950 -7.411 1.00 21.25 C ATOM 694 CZ TYR A 446 -0.505 3.317 -7.440 1.00 74.41 C ATOM 695 OH TYR A 446 0.623 4.113 -7.458 1.00 21.13 O ATOM 0 H TYR A 446 -5.184 2.223 -9.027 1.00 23.34 H new ATOM 0 HA TYR A 446 -3.553 -0.122 -9.158 1.00 41.35 H new ATOM 0 HB2 TYR A 446 -4.835 1.427 -6.901 1.00 1.32 H new ATOM 0 HB3 TYR A 446 -3.827 0.015 -6.655 1.00 1.32 H new ATOM 0 HD1 TYR A 446 -3.845 3.572 -7.404 1.00 65.34 H new ATOM 0 HD2 TYR A 446 -1.409 0.087 -7.350 1.00 45.33 H new ATOM 0 HE1 TYR A 446 -1.842 4.977 -7.454 1.00 72.45 H new ATOM 0 HE2 TYR A 446 0.601 1.495 -7.416 1.00 21.25 H new ATOM 0 HH TYR A 446 1.423 3.547 -7.459 1.00 21.13 H new ATOM 705 N VAL A 447 -6.753 -0.387 -8.420 1.00 14.33 N ATOM 706 CA VAL A 447 -7.887 -1.327 -8.319 1.00 41.22 C ATOM 707 C VAL A 447 -7.935 -2.240 -9.544 1.00 35.21 C ATOM 708 O VAL A 447 -8.310 -3.405 -9.445 1.00 14.33 O ATOM 709 CB VAL A 447 -9.261 -0.589 -8.150 1.00 3.22 C ATOM 710 CG1 VAL A 447 -10.425 -1.578 -8.093 1.00 71.11 C ATOM 711 CG2 VAL A 447 -9.262 0.268 -6.895 1.00 72.02 C ATOM 0 H VAL A 447 -7.029 0.594 -8.384 1.00 14.33 H new ATOM 0 HA VAL A 447 -7.723 -1.926 -7.423 1.00 41.22 H new ATOM 0 HB VAL A 447 -9.392 0.051 -9.023 1.00 3.22 H new ATOM 0 HG11 VAL A 447 -11.361 -1.032 -7.976 1.00 71.11 H new ATOM 0 HG12 VAL A 447 -10.456 -2.157 -9.016 1.00 71.11 H new ATOM 0 HG13 VAL A 447 -10.289 -2.251 -7.247 1.00 71.11 H new ATOM 0 HG21 VAL A 447 -10.225 0.770 -6.798 1.00 72.02 H new ATOM 0 HG22 VAL A 447 -9.093 -0.364 -6.023 1.00 72.02 H new ATOM 0 HG23 VAL A 447 -8.469 1.013 -6.962 1.00 72.02 H new ATOM 721 N LEU A 448 -7.525 -1.706 -10.693 1.00 54.24 N ATOM 722 CA LEU A 448 -7.429 -2.465 -11.907 1.00 60.54 C ATOM 723 C LEU A 448 -6.518 -3.684 -11.693 1.00 50.32 C ATOM 724 O LEU A 448 -6.874 -4.809 -12.042 1.00 41.03 O ATOM 725 CB LEU A 448 -6.881 -1.564 -13.012 1.00 32.13 C ATOM 726 CG LEU A 448 -6.616 -2.228 -14.347 1.00 32.51 C ATOM 727 CD1 LEU A 448 -7.899 -2.790 -14.951 1.00 11.11 C ATOM 728 CD2 LEU A 448 -5.924 -1.274 -15.305 1.00 63.01 C ATOM 0 H LEU A 448 -7.252 -0.728 -10.793 1.00 54.24 H new ATOM 0 HA LEU A 448 -8.415 -2.828 -12.199 1.00 60.54 H new ATOM 0 HB2 LEU A 448 -7.586 -0.748 -13.169 1.00 32.13 H new ATOM 0 HB3 LEU A 448 -5.951 -1.118 -12.660 1.00 32.13 H new ATOM 0 HG LEU A 448 -5.942 -3.067 -14.173 1.00 32.51 H new ATOM 0 HD11 LEU A 448 -7.675 -3.260 -15.909 1.00 11.11 H new ATOM 0 HD12 LEU A 448 -8.326 -3.530 -14.274 1.00 11.11 H new ATOM 0 HD13 LEU A 448 -8.614 -1.982 -15.102 1.00 11.11 H new ATOM 0 HD21 LEU A 448 -5.746 -1.778 -16.255 1.00 63.01 H new ATOM 0 HD22 LEU A 448 -6.556 -0.401 -15.470 1.00 63.01 H new ATOM 0 HD23 LEU A 448 -4.972 -0.957 -14.879 1.00 63.01 H new ATOM 740 N LEU A 449 -5.364 -3.451 -11.101 1.00 4.22 N ATOM 741 CA LEU A 449 -4.421 -4.520 -10.783 1.00 3.13 C ATOM 742 C LEU A 449 -4.906 -5.344 -9.592 1.00 54.31 C ATOM 743 O LEU A 449 -4.648 -6.549 -9.509 1.00 24.52 O ATOM 744 CB LEU A 449 -2.990 -3.995 -10.549 1.00 11.21 C ATOM 745 CG LEU A 449 -2.208 -3.479 -11.781 1.00 22.22 C ATOM 746 CD1 LEU A 449 -2.875 -2.293 -12.440 1.00 12.00 C ATOM 747 CD2 LEU A 449 -0.791 -3.133 -11.396 1.00 1.31 C ATOM 0 H LEU A 449 -5.048 -2.521 -10.825 1.00 4.22 H new ATOM 0 HA LEU A 449 -4.378 -5.172 -11.656 1.00 3.13 H new ATOM 0 HB2 LEU A 449 -3.044 -3.185 -9.821 1.00 11.21 H new ATOM 0 HB3 LEU A 449 -2.408 -4.796 -10.093 1.00 11.21 H new ATOM 0 HG LEU A 449 -2.200 -4.287 -12.512 1.00 22.22 H new ATOM 0 HD11 LEU A 449 -2.283 -1.973 -13.298 1.00 12.00 H new ATOM 0 HD12 LEU A 449 -3.874 -2.576 -12.773 1.00 12.00 H new ATOM 0 HD13 LEU A 449 -2.950 -1.474 -11.725 1.00 12.00 H new ATOM 0 HD21 LEU A 449 -0.254 -2.772 -12.273 1.00 1.31 H new ATOM 0 HD22 LEU A 449 -0.801 -2.357 -10.631 1.00 1.31 H new ATOM 0 HD23 LEU A 449 -0.293 -4.021 -11.006 1.00 1.31 H new ATOM 759 N GLY A 450 -5.600 -4.687 -8.675 1.00 32.24 N ATOM 760 CA GLY A 450 -6.182 -5.361 -7.523 1.00 23.23 C ATOM 761 C GLY A 450 -7.219 -6.381 -7.943 1.00 24.31 C ATOM 762 O GLY A 450 -7.410 -7.399 -7.279 1.00 41.12 O ATOM 0 H GLY A 450 -5.775 -3.683 -8.706 1.00 32.24 H new ATOM 0 HA2 GLY A 450 -5.395 -5.854 -6.953 1.00 23.23 H new ATOM 0 HA3 GLY A 450 -6.641 -4.625 -6.863 1.00 23.23 H new ATOM 766 N LEU A 451 -7.878 -6.102 -9.053 1.00 12.31 N ATOM 767 CA LEU A 451 -8.840 -7.005 -9.657 1.00 21.12 C ATOM 768 C LEU A 451 -8.118 -8.303 -10.029 1.00 54.31 C ATOM 769 O LEU A 451 -8.640 -9.392 -9.825 1.00 13.52 O ATOM 770 CB LEU A 451 -9.482 -6.298 -10.894 1.00 65.10 C ATOM 771 CG LEU A 451 -10.638 -6.995 -11.666 1.00 5.52 C ATOM 772 CD1 LEU A 451 -11.250 -6.009 -12.647 1.00 4.41 C ATOM 773 CD2 LEU A 451 -10.156 -8.217 -12.447 1.00 64.21 C ATOM 0 H LEU A 451 -7.758 -5.229 -9.567 1.00 12.31 H new ATOM 0 HA LEU A 451 -9.646 -7.258 -8.968 1.00 21.12 H new ATOM 0 HB2 LEU A 451 -9.852 -5.329 -10.559 1.00 65.10 H new ATOM 0 HB3 LEU A 451 -8.683 -6.105 -11.610 1.00 65.10 H new ATOM 0 HG LEU A 451 -11.370 -7.327 -10.930 1.00 5.52 H new ATOM 0 HD11 LEU A 451 -12.061 -6.493 -13.191 1.00 4.41 H new ATOM 0 HD12 LEU A 451 -11.640 -5.149 -12.103 1.00 4.41 H new ATOM 0 HD13 LEU A 451 -10.488 -5.677 -13.352 1.00 4.41 H new ATOM 0 HD21 LEU A 451 -10.998 -8.670 -12.970 1.00 64.21 H new ATOM 0 HD22 LEU A 451 -9.401 -7.911 -13.172 1.00 64.21 H new ATOM 0 HD23 LEU A 451 -9.724 -8.942 -11.757 1.00 64.21 H new ATOM 785 N GLY A 452 -6.895 -8.163 -10.529 1.00 60.10 N ATOM 786 CA GLY A 452 -6.089 -9.315 -10.888 1.00 33.44 C ATOM 787 C GLY A 452 -5.651 -10.080 -9.660 1.00 74.44 C ATOM 788 O GLY A 452 -5.386 -11.282 -9.722 1.00 23.45 O ATOM 0 H GLY A 452 -6.444 -7.263 -10.693 1.00 60.10 H new ATOM 0 HA2 GLY A 452 -6.660 -9.972 -11.544 1.00 33.44 H new ATOM 0 HA3 GLY A 452 -5.213 -8.989 -11.448 1.00 33.44 H new ATOM 792 N GLY A 453 -5.572 -9.381 -8.545 1.00 65.11 N ATOM 793 CA GLY A 453 -5.237 -10.004 -7.290 1.00 73.34 C ATOM 794 C GLY A 453 -6.416 -10.784 -6.761 1.00 72.20 C ATOM 795 O GLY A 453 -6.281 -11.941 -6.376 1.00 15.24 O ATOM 0 H GLY A 453 -5.737 -8.376 -8.488 1.00 65.11 H new ATOM 0 HA2 GLY A 453 -4.383 -10.668 -7.422 1.00 73.34 H new ATOM 0 HA3 GLY A 453 -4.941 -9.244 -6.567 1.00 73.34 H new ATOM 799 N LEU A 454 -7.586 -10.149 -6.772 1.00 13.41 N ATOM 800 CA LEU A 454 -8.838 -10.777 -6.343 1.00 44.51 C ATOM 801 C LEU A 454 -9.158 -11.979 -7.227 1.00 71.33 C ATOM 802 O LEU A 454 -9.733 -12.967 -6.773 1.00 73.42 O ATOM 803 CB LEU A 454 -9.994 -9.756 -6.394 1.00 15.13 C ATOM 804 CG LEU A 454 -11.397 -10.276 -6.013 1.00 45.14 C ATOM 805 CD1 LEU A 454 -11.428 -10.806 -4.584 1.00 52.30 C ATOM 806 CD2 LEU A 454 -12.440 -9.183 -6.197 1.00 21.53 C ATOM 0 H LEU A 454 -7.695 -9.182 -7.079 1.00 13.41 H new ATOM 0 HA LEU A 454 -8.720 -11.121 -5.315 1.00 44.51 H new ATOM 0 HB2 LEU A 454 -9.746 -8.928 -5.730 1.00 15.13 H new ATOM 0 HB3 LEU A 454 -10.045 -9.350 -7.404 1.00 15.13 H new ATOM 0 HG LEU A 454 -11.635 -11.104 -6.680 1.00 45.14 H new ATOM 0 HD11 LEU A 454 -12.431 -11.164 -4.350 1.00 52.30 H new ATOM 0 HD12 LEU A 454 -10.718 -11.627 -4.485 1.00 52.30 H new ATOM 0 HD13 LEU A 454 -11.158 -10.007 -3.894 1.00 52.30 H new ATOM 0 HD21 LEU A 454 -13.422 -9.568 -5.924 1.00 21.53 H new ATOM 0 HD22 LEU A 454 -12.193 -8.334 -5.560 1.00 21.53 H new ATOM 0 HD23 LEU A 454 -12.452 -8.864 -7.239 1.00 21.53 H new ATOM 818 N LEU A 455 -8.753 -11.885 -8.479 1.00 63.21 N ATOM 819 CA LEU A 455 -8.949 -12.934 -9.467 1.00 62.14 C ATOM 820 C LEU A 455 -8.288 -14.246 -9.027 1.00 31.10 C ATOM 821 O LEU A 455 -8.784 -15.330 -9.321 1.00 33.22 O ATOM 822 CB LEU A 455 -8.376 -12.483 -10.814 1.00 54.13 C ATOM 823 CG LEU A 455 -8.506 -13.457 -11.982 1.00 71.12 C ATOM 824 CD1 LEU A 455 -9.965 -13.741 -12.293 1.00 54.15 C ATOM 825 CD2 LEU A 455 -7.797 -12.909 -13.201 1.00 5.12 C ATOM 0 H LEU A 455 -8.270 -11.065 -8.846 1.00 63.21 H new ATOM 0 HA LEU A 455 -10.019 -13.116 -9.566 1.00 62.14 H new ATOM 0 HB2 LEU A 455 -8.864 -11.550 -11.095 1.00 54.13 H new ATOM 0 HB3 LEU A 455 -7.318 -12.260 -10.675 1.00 54.13 H new ATOM 0 HG LEU A 455 -8.035 -14.398 -11.698 1.00 71.12 H new ATOM 0 HD11 LEU A 455 -10.030 -14.438 -13.129 1.00 54.15 H new ATOM 0 HD12 LEU A 455 -10.445 -14.179 -11.418 1.00 54.15 H new ATOM 0 HD13 LEU A 455 -10.469 -12.811 -12.556 1.00 54.15 H new ATOM 0 HD21 LEU A 455 -7.897 -13.613 -14.027 1.00 5.12 H new ATOM 0 HD22 LEU A 455 -8.242 -11.954 -13.482 1.00 5.12 H new ATOM 0 HD23 LEU A 455 -6.741 -12.764 -12.973 1.00 5.12 H new ATOM 837 N LEU A 456 -7.193 -14.140 -8.299 1.00 54.52 N ATOM 838 CA LEU A 456 -6.463 -15.313 -7.836 1.00 62.54 C ATOM 839 C LEU A 456 -7.253 -16.031 -6.735 1.00 15.32 C ATOM 840 O LEU A 456 -7.127 -17.245 -6.542 1.00 0.41 O ATOM 841 CB LEU A 456 -5.088 -14.898 -7.316 1.00 53.11 C ATOM 842 CG LEU A 456 -4.211 -14.106 -8.295 1.00 71.15 C ATOM 843 CD1 LEU A 456 -2.891 -13.740 -7.649 1.00 61.52 C ATOM 844 CD2 LEU A 456 -3.977 -14.888 -9.584 1.00 41.25 C ATOM 0 H LEU A 456 -6.785 -13.250 -8.012 1.00 54.52 H new ATOM 0 HA LEU A 456 -6.332 -16.000 -8.672 1.00 62.54 H new ATOM 0 HB2 LEU A 456 -5.227 -14.298 -6.417 1.00 53.11 H new ATOM 0 HB3 LEU A 456 -4.547 -15.797 -7.019 1.00 53.11 H new ATOM 0 HG LEU A 456 -4.740 -13.188 -8.551 1.00 71.15 H new ATOM 0 HD11 LEU A 456 -2.282 -13.179 -8.358 1.00 61.52 H new ATOM 0 HD12 LEU A 456 -3.075 -13.129 -6.766 1.00 61.52 H new ATOM 0 HD13 LEU A 456 -2.364 -14.649 -7.358 1.00 61.52 H new ATOM 0 HD21 LEU A 456 -3.352 -14.301 -10.257 1.00 41.25 H new ATOM 0 HD22 LEU A 456 -3.477 -15.829 -9.353 1.00 41.25 H new ATOM 0 HD23 LEU A 456 -4.934 -15.094 -10.064 1.00 41.25 H new ATOM 856 N LEU A 457 -8.070 -15.268 -6.031 1.00 41.12 N ATOM 857 CA LEU A 457 -8.904 -15.785 -4.959 1.00 71.30 C ATOM 858 C LEU A 457 -10.108 -16.549 -5.480 1.00 71.10 C ATOM 859 O LEU A 457 -10.594 -17.440 -4.811 1.00 62.12 O ATOM 860 CB LEU A 457 -9.348 -14.692 -3.953 1.00 21.43 C ATOM 861 CG LEU A 457 -8.284 -14.131 -2.975 1.00 13.34 C ATOM 862 CD1 LEU A 457 -7.137 -13.445 -3.694 1.00 31.34 C ATOM 863 CD2 LEU A 457 -8.930 -13.180 -1.980 1.00 50.50 C ATOM 0 H LEU A 457 -8.175 -14.266 -6.188 1.00 41.12 H new ATOM 0 HA LEU A 457 -8.269 -16.485 -4.416 1.00 71.30 H new ATOM 0 HB2 LEU A 457 -9.751 -13.856 -4.524 1.00 21.43 H new ATOM 0 HB3 LEU A 457 -10.167 -15.097 -3.359 1.00 21.43 H new ATOM 0 HG LEU A 457 -7.862 -14.982 -2.440 1.00 13.34 H new ATOM 0 HD11 LEU A 457 -6.421 -13.071 -2.962 1.00 31.34 H new ATOM 0 HD12 LEU A 457 -6.643 -14.158 -4.354 1.00 31.34 H new ATOM 0 HD13 LEU A 457 -7.523 -12.613 -4.283 1.00 31.34 H new ATOM 0 HD21 LEU A 457 -8.171 -12.794 -1.300 1.00 50.50 H new ATOM 0 HD22 LEU A 457 -9.392 -12.351 -2.516 1.00 50.50 H new ATOM 0 HD23 LEU A 457 -9.691 -13.712 -1.410 1.00 50.50 H new ATOM 875 N VAL A 458 -10.582 -16.186 -6.672 1.00 74.55 N ATOM 876 CA VAL A 458 -11.786 -16.803 -7.289 1.00 14.22 C ATOM 877 C VAL A 458 -11.794 -18.371 -7.229 1.00 34.53 C ATOM 878 O VAL A 458 -12.778 -18.962 -6.746 1.00 31.42 O ATOM 879 CB VAL A 458 -12.036 -16.295 -8.746 1.00 31.15 C ATOM 880 CG1 VAL A 458 -13.272 -16.944 -9.348 1.00 35.42 C ATOM 881 CG2 VAL A 458 -12.182 -14.782 -8.757 1.00 72.23 C ATOM 0 H VAL A 458 -10.153 -15.460 -7.246 1.00 74.55 H new ATOM 0 HA VAL A 458 -12.619 -16.468 -6.670 1.00 14.22 H new ATOM 0 HB VAL A 458 -11.175 -16.575 -9.354 1.00 31.15 H new ATOM 0 HG11 VAL A 458 -13.421 -16.572 -10.362 1.00 35.42 H new ATOM 0 HG12 VAL A 458 -13.139 -18.026 -9.374 1.00 35.42 H new ATOM 0 HG13 VAL A 458 -14.143 -16.701 -8.740 1.00 35.42 H new ATOM 0 HG21 VAL A 458 -12.356 -14.441 -9.777 1.00 72.23 H new ATOM 0 HG22 VAL A 458 -13.025 -14.493 -8.129 1.00 72.23 H new ATOM 0 HG23 VAL A 458 -11.270 -14.326 -8.372 1.00 72.23 H new ATOM 891 N PRO A 459 -10.715 -19.079 -7.692 1.00 70.42 N ATOM 892 CA PRO A 459 -10.653 -20.550 -7.599 1.00 43.41 C ATOM 893 C PRO A 459 -10.640 -21.023 -6.143 1.00 34.42 C ATOM 894 O PRO A 459 -11.124 -22.104 -5.829 1.00 21.44 O ATOM 895 CB PRO A 459 -9.329 -20.910 -8.289 1.00 72.34 C ATOM 896 CG PRO A 459 -9.020 -19.733 -9.137 1.00 30.34 C ATOM 897 CD PRO A 459 -9.512 -18.548 -8.368 1.00 4.33 C ATOM 0 HA PRO A 459 -11.520 -21.025 -8.058 1.00 43.41 H new ATOM 0 HB2 PRO A 459 -8.539 -21.093 -7.561 1.00 72.34 H new ATOM 0 HB3 PRO A 459 -9.427 -21.816 -8.888 1.00 72.34 H new ATOM 0 HG2 PRO A 459 -7.950 -19.659 -9.331 1.00 30.34 H new ATOM 0 HG3 PRO A 459 -9.515 -19.806 -10.105 1.00 30.34 H new ATOM 0 HD2 PRO A 459 -8.770 -18.192 -7.654 1.00 4.33 H new ATOM 0 HD3 PRO A 459 -9.752 -17.711 -9.023 1.00 4.33 H new ATOM 905 N ILE A 460 -10.122 -20.187 -5.254 1.00 61.40 N ATOM 906 CA ILE A 460 -10.043 -20.522 -3.840 1.00 44.22 C ATOM 907 C ILE A 460 -11.429 -20.364 -3.200 1.00 11.32 C ATOM 908 O ILE A 460 -11.789 -21.086 -2.268 1.00 71.42 O ATOM 909 CB ILE A 460 -8.996 -19.651 -3.080 1.00 22.21 C ATOM 910 CG1 ILE A 460 -7.615 -19.727 -3.768 1.00 51.44 C ATOM 911 CG2 ILE A 460 -8.881 -20.103 -1.621 1.00 53.14 C ATOM 912 CD1 ILE A 460 -7.019 -21.125 -3.836 1.00 31.40 C ATOM 0 H ILE A 460 -9.749 -19.267 -5.489 1.00 61.40 H new ATOM 0 HA ILE A 460 -9.711 -21.557 -3.762 1.00 44.22 H new ATOM 0 HB ILE A 460 -9.337 -18.616 -3.103 1.00 22.21 H new ATOM 0 HG12 ILE A 460 -7.706 -19.335 -4.781 1.00 51.44 H new ATOM 0 HG13 ILE A 460 -6.922 -19.076 -3.235 1.00 51.44 H new ATOM 0 HG21 ILE A 460 -8.146 -19.485 -1.105 1.00 53.14 H new ATOM 0 HG22 ILE A 460 -9.849 -20.001 -1.131 1.00 53.14 H new ATOM 0 HG23 ILE A 460 -8.566 -21.146 -1.587 1.00 53.14 H new ATOM 0 HD11 ILE A 460 -6.050 -21.084 -4.334 1.00 31.40 H new ATOM 0 HD12 ILE A 460 -6.891 -21.516 -2.826 1.00 31.40 H new ATOM 0 HD13 ILE A 460 -7.688 -21.779 -4.396 1.00 31.40 H new ATOM 924 N ILE A 461 -12.217 -19.434 -3.729 1.00 15.14 N ATOM 925 CA ILE A 461 -13.601 -19.244 -3.293 1.00 12.43 C ATOM 926 C ILE A 461 -14.395 -20.507 -3.648 1.00 61.54 C ATOM 927 O ILE A 461 -15.313 -20.909 -2.952 1.00 51.02 O ATOM 928 CB ILE A 461 -14.262 -17.996 -3.978 1.00 75.43 C ATOM 929 CG1 ILE A 461 -13.458 -16.711 -3.692 1.00 63.12 C ATOM 930 CG2 ILE A 461 -15.715 -17.820 -3.534 1.00 12.40 C ATOM 931 CD1 ILE A 461 -13.331 -16.358 -2.220 1.00 11.01 C ATOM 0 H ILE A 461 -11.920 -18.794 -4.466 1.00 15.14 H new ATOM 0 HA ILE A 461 -13.609 -19.068 -2.217 1.00 12.43 H new ATOM 0 HB ILE A 461 -14.253 -18.176 -5.053 1.00 75.43 H new ATOM 0 HG12 ILE A 461 -12.459 -16.822 -4.113 1.00 63.12 H new ATOM 0 HG13 ILE A 461 -13.932 -15.878 -4.212 1.00 63.12 H new ATOM 0 HG21 ILE A 461 -16.143 -16.947 -4.027 1.00 12.40 H new ATOM 0 HG22 ILE A 461 -16.288 -18.707 -3.805 1.00 12.40 H new ATOM 0 HG23 ILE A 461 -15.751 -17.681 -2.454 1.00 12.40 H new ATOM 0 HD11 ILE A 461 -12.751 -15.441 -2.114 1.00 11.01 H new ATOM 0 HD12 ILE A 461 -14.324 -16.210 -1.794 1.00 11.01 H new ATOM 0 HD13 ILE A 461 -12.827 -17.169 -1.694 1.00 11.01 H new ATOM 943 N CYS A 462 -13.987 -21.147 -4.721 1.00 13.21 N ATOM 944 CA CYS A 462 -14.603 -22.375 -5.157 1.00 20.35 C ATOM 945 C CYS A 462 -13.997 -23.577 -4.404 1.00 63.31 C ATOM 946 O CYS A 462 -14.598 -24.649 -4.331 1.00 14.53 O ATOM 947 CB CYS A 462 -14.422 -22.529 -6.666 1.00 3.44 C ATOM 948 SG CYS A 462 -15.105 -21.153 -7.631 1.00 54.44 S ATOM 0 H CYS A 462 -13.220 -20.829 -5.313 1.00 13.21 H new ATOM 0 HA CYS A 462 -15.669 -22.343 -4.933 1.00 20.35 H new ATOM 0 HB2 CYS A 462 -13.359 -22.623 -6.887 1.00 3.44 H new ATOM 0 HB3 CYS A 462 -14.897 -23.456 -6.987 1.00 3.44 H new ATOM 0 HG CYS A 462 -14.362 -20.099 -7.469 1.00 54.44 H new ATOM 954 N GLN A 463 -12.830 -23.355 -3.800 1.00 72.44 N ATOM 955 CA GLN A 463 -12.084 -24.400 -3.061 1.00 42.04 C ATOM 956 C GLN A 463 -12.752 -24.546 -1.730 1.00 70.44 C ATOM 957 O GLN A 463 -12.859 -25.620 -1.155 1.00 1.22 O ATOM 958 CB GLN A 463 -10.581 -23.968 -2.926 1.00 50.05 C ATOM 959 CG GLN A 463 -9.626 -24.936 -2.186 1.00 75.32 C ATOM 960 CD GLN A 463 -9.799 -24.995 -0.660 1.00 53.44 C ATOM 961 OE1 GLN A 463 -9.575 -26.033 -0.043 1.00 62.41 O ATOM 962 NE2 GLN A 463 -10.144 -23.879 -0.043 1.00 73.43 N ATOM 0 H GLN A 463 -12.365 -22.447 -3.803 1.00 72.44 H new ATOM 0 HA GLN A 463 -12.092 -25.359 -3.579 1.00 42.04 H new ATOM 0 HB2 GLN A 463 -10.186 -23.806 -3.929 1.00 50.05 H new ATOM 0 HB3 GLN A 463 -10.551 -23.007 -2.412 1.00 50.05 H new ATOM 0 HG2 GLN A 463 -9.768 -25.939 -2.590 1.00 75.32 H new ATOM 0 HG3 GLN A 463 -8.599 -24.646 -2.407 1.00 75.32 H new ATOM 0 HE21 GLN A 463 -10.324 -23.032 -0.583 1.00 73.43 H new ATOM 0 HE22 GLN A 463 -10.231 -23.864 0.973 1.00 73.43 H new ATOM 971 N LEU A 464 -13.225 -23.430 -1.291 1.00 10.34 N ATOM 972 CA LEU A 464 -13.961 -23.221 -0.115 1.00 63.11 C ATOM 973 C LEU A 464 -15.187 -24.160 -0.060 1.00 3.33 C ATOM 974 O LEU A 464 -15.610 -24.578 1.016 1.00 60.31 O ATOM 975 CB LEU A 464 -14.307 -21.737 -0.204 1.00 21.34 C ATOM 976 CG LEU A 464 -15.104 -21.047 0.848 1.00 34.43 C ATOM 977 CD1 LEU A 464 -14.968 -19.562 0.592 1.00 14.24 C ATOM 978 CD2 LEU A 464 -16.570 -21.424 0.764 1.00 40.52 C ATOM 0 H LEU A 464 -13.085 -22.561 -1.807 1.00 10.34 H new ATOM 0 HA LEU A 464 -13.430 -23.452 0.808 1.00 63.11 H new ATOM 0 HB2 LEU A 464 -13.363 -21.199 -0.286 1.00 21.34 H new ATOM 0 HB3 LEU A 464 -14.838 -21.594 -1.145 1.00 21.34 H new ATOM 0 HG LEU A 464 -14.741 -21.333 1.835 1.00 34.43 H new ATOM 0 HD11 LEU A 464 -15.537 -19.010 1.340 1.00 14.24 H new ATOM 0 HD12 LEU A 464 -13.918 -19.277 0.652 1.00 14.24 H new ATOM 0 HD13 LEU A 464 -15.351 -19.327 -0.401 1.00 14.24 H new ATOM 0 HD21 LEU A 464 -17.125 -20.904 1.545 1.00 40.52 H new ATOM 0 HD22 LEU A 464 -16.964 -21.139 -0.212 1.00 40.52 H new ATOM 0 HD23 LEU A 464 -16.677 -22.500 0.898 1.00 40.52 H new ATOM 990 N ARG A 465 -15.701 -24.536 -1.221 1.00 52.32 N ATOM 991 CA ARG A 465 -16.846 -25.434 -1.300 1.00 3.34 C ATOM 992 C ARG A 465 -16.464 -26.836 -0.828 1.00 23.54 C ATOM 993 O ARG A 465 -17.310 -27.613 -0.399 1.00 32.42 O ATOM 994 CB ARG A 465 -17.367 -25.499 -2.727 1.00 32.52 C ATOM 995 CG ARG A 465 -17.788 -24.159 -3.279 1.00 35.30 C ATOM 996 CD ARG A 465 -18.305 -24.277 -4.698 1.00 12.13 C ATOM 997 NE ARG A 465 -17.302 -24.784 -5.636 1.00 63.41 N ATOM 998 CZ ARG A 465 -17.435 -24.756 -6.972 1.00 11.34 C ATOM 999 NH1 ARG A 465 -18.498 -24.175 -7.537 1.00 13.02 N ATOM 1000 NH2 ARG A 465 -16.501 -25.293 -7.744 1.00 45.21 N ATOM 0 H ARG A 465 -15.342 -24.232 -2.126 1.00 52.32 H new ATOM 0 HA ARG A 465 -17.629 -25.045 -0.650 1.00 3.34 H new ATOM 0 HB2 ARG A 465 -16.593 -25.920 -3.369 1.00 32.52 H new ATOM 0 HB3 ARG A 465 -18.217 -26.181 -2.764 1.00 32.52 H new ATOM 0 HG2 ARG A 465 -18.563 -23.730 -2.643 1.00 35.30 H new ATOM 0 HG3 ARG A 465 -16.941 -23.473 -3.256 1.00 35.30 H new ATOM 0 HD2 ARG A 465 -19.171 -24.939 -4.709 1.00 12.13 H new ATOM 0 HD3 ARG A 465 -18.648 -23.299 -5.036 1.00 12.13 H new ATOM 0 HE ARG A 465 -16.447 -25.184 -5.250 1.00 63.41 H new ATOM 0 HH11 ARG A 465 -19.217 -23.748 -6.952 1.00 13.02 H new ATOM 0 HH12 ARG A 465 -18.590 -24.159 -8.553 1.00 13.02 H new ATOM 0 HH21 ARG A 465 -15.680 -25.728 -7.323 1.00 45.21 H new ATOM 0 HH22 ARG A 465 -16.603 -25.271 -8.759 1.00 45.21 H new ATOM 1014 N SER A 466 -15.190 -27.141 -0.891 1.00 41.14 N ATOM 1015 CA SER A 466 -14.678 -28.414 -0.442 1.00 74.43 C ATOM 1016 C SER A 466 -14.374 -28.345 1.048 1.00 2.42 C ATOM 1017 O SER A 466 -14.323 -29.360 1.739 1.00 72.24 O ATOM 1018 CB SER A 466 -13.414 -28.742 -1.224 1.00 15.05 C ATOM 1019 OG SER A 466 -13.684 -28.754 -2.620 1.00 14.42 O ATOM 0 H SER A 466 -14.476 -26.511 -1.257 1.00 41.14 H new ATOM 0 HA SER A 466 -15.419 -29.195 -0.611 1.00 74.43 H new ATOM 0 HB2 SER A 466 -12.641 -28.006 -1.003 1.00 15.05 H new ATOM 0 HB3 SER A 466 -13.028 -29.713 -0.913 1.00 15.05 H new ATOM 0 HG SER A 466 -12.862 -28.965 -3.110 1.00 14.42 H new ATOM 1025 N GLN A 467 -14.194 -27.138 1.534 1.00 2.13 N ATOM 1026 CA GLN A 467 -13.898 -26.918 2.924 1.00 62.01 C ATOM 1027 C GLN A 467 -15.184 -26.933 3.730 1.00 14.12 C ATOM 1028 O GLN A 467 -15.260 -27.554 4.797 1.00 15.44 O ATOM 1029 CB GLN A 467 -13.186 -25.581 3.103 1.00 4.42 C ATOM 1030 CG GLN A 467 -12.747 -25.301 4.528 1.00 2.22 C ATOM 1031 CD GLN A 467 -11.755 -26.322 5.028 1.00 12.42 C ATOM 1032 OE1 GLN A 467 -10.551 -26.154 4.866 1.00 65.43 O ATOM 1033 NE2 GLN A 467 -12.244 -27.380 5.631 1.00 74.22 N ATOM 0 H GLN A 467 -14.249 -26.286 0.976 1.00 2.13 H new ATOM 0 HA GLN A 467 -13.244 -27.714 3.279 1.00 62.01 H new ATOM 0 HB2 GLN A 467 -12.311 -25.557 2.453 1.00 4.42 H new ATOM 0 HB3 GLN A 467 -13.849 -24.781 2.774 1.00 4.42 H new ATOM 0 HG2 GLN A 467 -12.302 -24.308 4.581 1.00 2.22 H new ATOM 0 HG3 GLN A 467 -13.620 -25.294 5.181 1.00 2.22 H new ATOM 0 HE21 GLN A 467 -13.252 -27.481 5.745 1.00 74.22 H new ATOM 0 HE22 GLN A 467 -11.616 -28.101 5.985 1.00 74.22 H new ATOM 1042 N GLU A 468 -16.191 -26.250 3.214 1.00 63.23 N ATOM 1043 CA GLU A 468 -17.492 -26.190 3.856 1.00 41.23 C ATOM 1044 C GLU A 468 -18.211 -27.513 3.672 1.00 54.42 C ATOM 1045 O GLU A 468 -18.997 -27.933 4.526 1.00 44.23 O ATOM 1046 CB GLU A 468 -18.329 -25.065 3.247 1.00 15.25 C ATOM 1047 CG GLU A 468 -17.686 -23.689 3.331 1.00 52.13 C ATOM 1048 CD GLU A 468 -17.399 -23.250 4.742 1.00 34.25 C ATOM 1049 OE1 GLU A 468 -16.261 -23.427 5.216 1.00 32.12 O ATOM 1050 OE2 GLU A 468 -18.305 -22.705 5.392 1.00 74.41 O ATOM 0 H GLU A 468 -16.130 -25.724 2.342 1.00 63.23 H new ATOM 0 HA GLU A 468 -17.353 -25.994 4.919 1.00 41.23 H new ATOM 0 HB2 GLU A 468 -18.523 -25.299 2.200 1.00 15.25 H new ATOM 0 HB3 GLU A 468 -19.295 -25.033 3.751 1.00 15.25 H new ATOM 0 HG2 GLU A 468 -16.755 -23.695 2.764 1.00 52.13 H new ATOM 0 HG3 GLU A 468 -18.343 -22.959 2.858 1.00 52.13 H new