USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 40 SER OG : rot 112:sc= 0.853 USER MOD Set 1.2: A 43 GLN : amide:sc= 0.649 K(o=1.5,f=-0.057) USER MOD Single : A 1 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.08) USER MOD Single : A 1 GLN N :NH3+ -110:sc= 0.0871 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0713 USER MOD Single : A 30 ASN : amide:sc= -0.802 K(o=-0.8,f=-5.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0011 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.0483 K(o=-0.048,f=-0.79) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.345 -39.405 -38.313 1.00 0.00 N ATOM 2 CA GLN A 1 -11.515 -40.240 -37.391 1.00 0.00 C ATOM 3 C GLN A 1 -10.409 -39.394 -36.754 1.00 0.00 C ATOM 4 O GLN A 1 -10.232 -38.235 -37.079 1.00 0.00 O ATOM 5 CB GLN A 1 -10.903 -41.336 -38.270 1.00 0.00 C ATOM 6 CG GLN A 1 -11.874 -42.516 -38.379 1.00 0.00 C ATOM 7 CD GLN A 1 -11.806 -43.355 -37.100 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.645 -43.225 -36.232 1.00 0.00 O ATOM 9 NE2 GLN A 1 -10.834 -44.212 -36.945 1.00 0.00 N ATOM 0 H1 GLN A 1 -13.290 -39.268 -37.901 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.889 -38.480 -38.449 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.434 -39.886 -39.231 1.00 0.00 H new ATOM 0 HA GLN A 1 -12.110 -40.656 -36.578 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.685 -40.940 -39.262 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.957 -41.670 -37.845 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.890 -42.152 -38.534 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.621 -43.130 -39.243 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -10.129 -44.321 -37.674 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -10.779 -44.773 -36.095 1.00 0.00 H new ATOM 20 N VAL A 2 -9.663 -39.972 -35.851 1.00 0.00 N ATOM 21 CA VAL A 2 -8.560 -39.215 -35.184 1.00 0.00 C ATOM 22 C VAL A 2 -7.293 -39.272 -36.046 1.00 0.00 C ATOM 23 O VAL A 2 -6.879 -40.328 -36.488 1.00 0.00 O ATOM 24 CB VAL A 2 -8.334 -39.921 -33.840 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.168 -39.260 -33.098 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.600 -39.815 -32.983 1.00 0.00 C ATOM 0 H VAL A 2 -9.769 -40.939 -35.544 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.807 -38.163 -35.045 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.102 -40.970 -34.023 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.011 -39.764 -32.144 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.263 -39.335 -33.701 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.399 -38.210 -32.919 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.437 -40.317 -32.029 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.832 -38.765 -32.805 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.433 -40.288 -33.504 1.00 0.00 H new ATOM 36 N TYR A 3 -6.675 -38.143 -36.287 1.00 0.00 N ATOM 37 CA TYR A 3 -5.436 -38.126 -37.119 1.00 0.00 C ATOM 38 C TYR A 3 -4.215 -37.799 -36.250 1.00 0.00 C ATOM 39 O TYR A 3 -4.042 -36.681 -35.801 1.00 0.00 O ATOM 40 CB TYR A 3 -5.670 -37.030 -38.162 1.00 0.00 C ATOM 41 CG TYR A 3 -4.846 -37.322 -39.394 1.00 0.00 C ATOM 42 CD1 TYR A 3 -5.288 -38.272 -40.321 1.00 0.00 C ATOM 43 CD2 TYR A 3 -3.640 -36.643 -39.606 1.00 0.00 C ATOM 44 CE1 TYR A 3 -4.526 -38.542 -41.464 1.00 0.00 C ATOM 45 CE2 TYR A 3 -2.878 -36.914 -40.748 1.00 0.00 C ATOM 46 CZ TYR A 3 -3.320 -37.863 -41.676 1.00 0.00 C ATOM 47 OH TYR A 3 -2.569 -38.129 -42.803 1.00 0.00 O ATOM 0 H TYR A 3 -6.977 -37.232 -35.942 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.239 -39.092 -37.585 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.727 -36.981 -38.422 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.397 -36.058 -37.751 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.217 -38.797 -40.155 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.298 -35.911 -38.889 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.868 -39.273 -42.181 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.948 -36.390 -40.913 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.763 -37.572 -42.798 1.00 0.00 H new ATOM 57 N LYS A 4 -3.369 -38.770 -36.013 1.00 0.00 N ATOM 58 CA LYS A 4 -2.155 -38.529 -35.177 1.00 0.00 C ATOM 59 C LYS A 4 -0.917 -39.119 -35.869 1.00 0.00 C ATOM 60 O LYS A 4 -0.476 -40.208 -35.552 1.00 0.00 O ATOM 61 CB LYS A 4 -2.438 -39.242 -33.850 1.00 0.00 C ATOM 62 CG LYS A 4 -1.334 -38.913 -32.839 1.00 0.00 C ATOM 63 CD LYS A 4 -1.718 -37.661 -32.042 1.00 0.00 C ATOM 64 CE LYS A 4 -2.244 -38.071 -30.662 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.804 -36.985 -29.737 1.00 0.00 N ATOM 0 H LYS A 4 -3.468 -39.722 -36.364 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.954 -37.468 -35.025 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.407 -38.931 -33.459 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.489 -40.319 -34.009 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.185 -39.755 -32.163 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.389 -38.750 -33.358 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.853 -37.007 -31.933 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.479 -37.095 -32.579 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.330 -38.168 -30.667 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.839 -39.036 -30.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.129 -37.198 -28.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.766 -36.920 -29.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.210 -36.079 -30.047 1.00 0.00 H new ATOM 79 N GLY A 5 -0.359 -38.402 -36.814 1.00 0.00 N ATOM 80 CA GLY A 5 0.846 -38.909 -37.535 1.00 0.00 C ATOM 81 C GLY A 5 0.438 -40.017 -38.509 1.00 0.00 C ATOM 82 O GLY A 5 0.025 -39.754 -39.624 1.00 0.00 O ATOM 0 H GLY A 5 -0.689 -37.485 -37.116 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.327 -38.094 -38.077 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.575 -39.290 -36.820 1.00 0.00 H new ATOM 86 N GLY A 6 0.552 -41.256 -38.097 1.00 0.00 N ATOM 87 CA GLY A 6 0.174 -42.389 -38.994 1.00 0.00 C ATOM 88 C GLY A 6 0.640 -43.707 -38.371 1.00 0.00 C ATOM 89 O GLY A 6 -0.142 -44.440 -37.796 1.00 0.00 O ATOM 0 H GLY A 6 0.892 -41.531 -37.175 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.906 -42.406 -39.142 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.628 -42.257 -39.976 1.00 0.00 H new ATOM 93 N TYR A 7 1.910 -44.007 -38.475 1.00 0.00 N ATOM 94 CA TYR A 7 2.433 -45.273 -37.883 1.00 0.00 C ATOM 95 C TYR A 7 2.987 -45.000 -36.480 1.00 0.00 C ATOM 96 O TYR A 7 4.129 -44.615 -36.317 1.00 0.00 O ATOM 97 CB TYR A 7 3.546 -45.736 -38.831 1.00 0.00 C ATOM 98 CG TYR A 7 2.935 -46.371 -40.058 1.00 0.00 C ATOM 99 CD1 TYR A 7 2.498 -47.701 -40.015 1.00 0.00 C ATOM 100 CD2 TYR A 7 2.804 -45.629 -41.238 1.00 0.00 C ATOM 101 CE1 TYR A 7 1.931 -48.289 -41.151 1.00 0.00 C ATOM 102 CE2 TYR A 7 2.237 -46.217 -42.374 1.00 0.00 C ATOM 103 CZ TYR A 7 1.800 -47.546 -42.331 1.00 0.00 C ATOM 104 OH TYR A 7 1.241 -48.126 -43.451 1.00 0.00 O ATOM 0 H TYR A 7 2.607 -43.429 -38.945 1.00 0.00 H new ATOM 0 HA TYR A 7 1.659 -46.034 -37.778 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.168 -44.889 -39.119 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.195 -46.450 -38.325 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.599 -48.273 -39.104 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.140 -44.603 -41.271 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.595 -49.315 -41.118 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.136 -45.645 -43.285 1.00 0.00 H new ATOM 0 HH TYR A 7 1.223 -47.474 -44.183 1.00 0.00 H new ATOM 114 N ALA A 8 2.177 -45.192 -35.467 1.00 0.00 N ATOM 115 CA ALA A 8 2.641 -44.943 -34.069 1.00 0.00 C ATOM 116 C ALA A 8 1.817 -45.774 -33.075 1.00 0.00 C ATOM 117 O ALA A 8 0.943 -46.530 -33.459 1.00 0.00 O ATOM 118 CB ALA A 8 2.414 -43.446 -33.837 1.00 0.00 C ATOM 0 H ALA A 8 1.212 -45.511 -35.550 1.00 0.00 H new ATOM 0 HA ALA A 8 3.684 -45.225 -33.925 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.731 -43.182 -32.828 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.994 -42.874 -34.561 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.355 -43.216 -33.956 1.00 0.00 H new ATOM 124 N ARG A 9 2.092 -45.637 -31.801 1.00 0.00 N ATOM 125 CA ARG A 9 1.335 -46.411 -30.775 1.00 0.00 C ATOM 126 C ARG A 9 0.712 -45.458 -29.744 1.00 0.00 C ATOM 127 O ARG A 9 1.175 -44.345 -29.574 1.00 0.00 O ATOM 128 CB ARG A 9 2.379 -47.315 -30.112 1.00 0.00 C ATOM 129 CG ARG A 9 2.084 -48.780 -30.451 1.00 0.00 C ATOM 130 CD ARG A 9 2.635 -49.106 -31.844 1.00 0.00 C ATOM 131 NE ARG A 9 1.813 -50.252 -32.330 1.00 0.00 N ATOM 132 CZ ARG A 9 0.679 -50.034 -32.943 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.676 -49.655 -34.195 1.00 0.00 N ATOM 134 NH2 ARG A 9 -0.449 -50.191 -32.302 1.00 0.00 N ATOM 0 H ARG A 9 2.812 -45.019 -31.428 1.00 0.00 H new ATOM 0 HA ARG A 9 0.517 -46.985 -31.210 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.378 -47.046 -30.456 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.365 -47.172 -29.032 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.538 -49.435 -29.707 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.010 -48.961 -30.422 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.550 -48.249 -32.512 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.691 -49.370 -31.798 1.00 0.00 H new ATOM 0 HE ARG A 9 2.137 -51.208 -32.184 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.558 -49.530 -34.692 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.208 -49.485 -34.674 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.444 -50.483 -31.325 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.335 -50.021 -32.779 1.00 0.00 H new ATOM 148 N PRO A 10 -0.323 -45.929 -29.086 1.00 0.00 N ATOM 149 CA PRO A 10 -1.016 -45.105 -28.059 1.00 0.00 C ATOM 150 C PRO A 10 -0.167 -45.002 -26.784 1.00 0.00 C ATOM 151 O PRO A 10 0.234 -45.999 -26.211 1.00 0.00 O ATOM 152 CB PRO A 10 -2.308 -45.874 -27.795 1.00 0.00 C ATOM 153 CG PRO A 10 -2.003 -47.291 -28.166 1.00 0.00 C ATOM 154 CD PRO A 10 -0.940 -47.255 -29.234 1.00 0.00 C ATOM 0 HA PRO A 10 -1.194 -44.080 -28.383 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.606 -45.796 -26.749 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.130 -45.479 -28.391 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.656 -47.850 -27.297 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.898 -47.794 -28.532 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.209 -48.052 -29.095 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.369 -47.386 -30.227 1.00 0.00 H new ATOM 162 N ILE A 11 0.110 -43.800 -26.338 1.00 0.00 N ATOM 163 CA ILE A 11 0.934 -43.622 -25.104 1.00 0.00 C ATOM 164 C ILE A 11 0.032 -43.575 -23.854 1.00 0.00 C ATOM 165 O ILE A 11 -0.796 -42.693 -23.718 1.00 0.00 O ATOM 166 CB ILE A 11 1.694 -42.295 -25.303 1.00 0.00 C ATOM 167 CG1 ILE A 11 2.654 -42.081 -24.129 1.00 0.00 C ATOM 168 CG2 ILE A 11 0.717 -41.112 -25.381 1.00 0.00 C ATOM 169 CD1 ILE A 11 3.760 -41.106 -24.541 1.00 0.00 C ATOM 0 H ILE A 11 -0.201 -42.934 -26.778 1.00 0.00 H new ATOM 0 HA ILE A 11 1.625 -44.451 -24.949 1.00 0.00 H new ATOM 0 HB ILE A 11 2.250 -42.350 -26.239 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.111 -41.689 -23.269 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.089 -43.033 -23.824 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.276 -40.187 -25.521 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.037 -41.256 -26.221 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.143 -41.052 -24.456 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.442 -40.955 -23.704 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.310 -41.516 -25.388 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.317 -40.151 -24.824 1.00 0.00 H new ATOM 181 N PRO A 12 0.228 -44.537 -22.979 1.00 0.00 N ATOM 182 CA PRO A 12 -0.571 -44.610 -21.725 1.00 0.00 C ATOM 183 C PRO A 12 -0.105 -43.537 -20.725 1.00 0.00 C ATOM 184 O PRO A 12 0.557 -43.830 -19.744 1.00 0.00 O ATOM 185 CB PRO A 12 -0.281 -46.016 -21.199 1.00 0.00 C ATOM 186 CG PRO A 12 1.050 -46.382 -21.775 1.00 0.00 C ATOM 187 CD PRO A 12 1.197 -45.637 -23.077 1.00 0.00 C ATOM 0 HA PRO A 12 -1.635 -44.431 -21.882 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.257 -46.032 -20.109 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.052 -46.720 -21.511 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.852 -46.115 -21.087 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.115 -47.458 -21.939 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.212 -45.262 -23.208 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.982 -46.281 -23.930 1.00 0.00 H new ATOM 195 N ARG A 13 -0.448 -42.296 -20.972 1.00 0.00 N ATOM 196 CA ARG A 13 -0.033 -41.197 -20.052 1.00 0.00 C ATOM 197 C ARG A 13 -0.982 -41.122 -18.844 1.00 0.00 C ATOM 198 O ARG A 13 -2.185 -41.232 -18.995 1.00 0.00 O ATOM 199 CB ARG A 13 -0.122 -39.915 -20.890 1.00 0.00 C ATOM 200 CG ARG A 13 1.187 -39.129 -20.771 1.00 0.00 C ATOM 201 CD ARG A 13 1.172 -37.953 -21.754 1.00 0.00 C ATOM 202 NE ARG A 13 1.783 -38.483 -23.006 1.00 0.00 N ATOM 203 CZ ARG A 13 2.693 -37.792 -23.635 1.00 0.00 C ATOM 204 NH1 ARG A 13 3.935 -37.829 -23.228 1.00 0.00 N ATOM 205 NH2 ARG A 13 2.360 -37.064 -24.669 1.00 0.00 N ATOM 0 H ARG A 13 -1.000 -41.998 -21.776 1.00 0.00 H new ATOM 0 HA ARG A 13 0.970 -41.353 -19.655 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.314 -40.164 -21.934 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.957 -39.303 -20.549 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.312 -38.763 -19.752 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.035 -39.781 -20.981 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.156 -37.600 -21.930 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.740 -37.108 -21.366 1.00 0.00 H new ATOM 0 HE ARG A 13 1.489 -39.388 -23.372 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.190 -38.397 -22.420 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.649 -37.290 -23.718 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.390 -37.037 -24.983 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.070 -36.523 -25.162 1.00 0.00 H new ATOM 219 N PRO A 14 -0.401 -40.934 -17.682 1.00 0.00 N ATOM 220 CA PRO A 14 -1.200 -40.841 -16.429 1.00 0.00 C ATOM 221 C PRO A 14 -1.968 -39.509 -16.369 1.00 0.00 C ATOM 222 O PRO A 14 -1.574 -38.538 -16.988 1.00 0.00 O ATOM 223 CB PRO A 14 -0.144 -40.910 -15.327 1.00 0.00 C ATOM 224 CG PRO A 14 1.117 -40.427 -15.968 1.00 0.00 C ATOM 225 CD PRO A 14 1.038 -40.796 -17.427 1.00 0.00 C ATOM 0 HA PRO A 14 -1.953 -41.624 -16.345 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.419 -40.285 -14.477 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.031 -41.927 -14.952 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.222 -39.349 -15.848 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.988 -40.886 -15.500 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.483 -40.026 -18.058 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.571 -41.724 -17.633 1.00 0.00 H new ATOM 233 N PRO A 15 -3.046 -39.511 -15.619 1.00 0.00 N ATOM 234 CA PRO A 15 -3.880 -38.288 -15.476 1.00 0.00 C ATOM 235 C PRO A 15 -3.162 -37.245 -14.603 1.00 0.00 C ATOM 236 O PRO A 15 -2.841 -37.512 -13.460 1.00 0.00 O ATOM 237 CB PRO A 15 -5.147 -38.796 -14.791 1.00 0.00 C ATOM 238 CG PRO A 15 -4.728 -40.036 -14.068 1.00 0.00 C ATOM 239 CD PRO A 15 -3.587 -40.638 -14.845 1.00 0.00 C ATOM 0 HA PRO A 15 -4.085 -37.795 -16.427 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.547 -38.053 -14.101 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.930 -39.009 -15.519 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.419 -39.802 -13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.558 -40.739 -13.996 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.834 -41.064 -14.182 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.929 -41.442 -15.497 1.00 0.00 H new ATOM 247 N PRO A 16 -2.931 -36.084 -15.177 1.00 0.00 N ATOM 248 CA PRO A 16 -2.243 -34.991 -14.441 1.00 0.00 C ATOM 249 C PRO A 16 -3.196 -34.326 -13.437 1.00 0.00 C ATOM 250 O PRO A 16 -4.299 -34.788 -13.209 1.00 0.00 O ATOM 251 CB PRO A 16 -1.848 -34.012 -15.546 1.00 0.00 C ATOM 252 CG PRO A 16 -2.820 -34.255 -16.656 1.00 0.00 C ATOM 253 CD PRO A 16 -3.280 -35.688 -16.548 1.00 0.00 C ATOM 0 HA PRO A 16 -1.391 -35.340 -13.858 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.901 -32.981 -15.195 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.823 -34.184 -15.876 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.667 -33.573 -16.580 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.351 -34.074 -17.623 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.352 -35.775 -16.726 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.783 -36.321 -17.283 1.00 0.00 H new ATOM 261 N PHE A 17 -2.769 -33.242 -12.838 1.00 0.00 N ATOM 262 CA PHE A 17 -3.627 -32.528 -11.846 1.00 0.00 C ATOM 263 C PHE A 17 -4.863 -31.927 -12.529 1.00 0.00 C ATOM 264 O PHE A 17 -4.885 -31.711 -13.728 1.00 0.00 O ATOM 265 CB PHE A 17 -2.728 -31.427 -11.260 1.00 0.00 C ATOM 266 CG PHE A 17 -2.448 -30.353 -12.294 1.00 0.00 C ATOM 267 CD1 PHE A 17 -3.333 -29.277 -12.443 1.00 0.00 C ATOM 268 CD2 PHE A 17 -1.304 -30.433 -13.097 1.00 0.00 C ATOM 269 CE1 PHE A 17 -3.074 -28.286 -13.396 1.00 0.00 C ATOM 270 CE2 PHE A 17 -1.046 -29.440 -14.049 1.00 0.00 C ATOM 271 CZ PHE A 17 -1.931 -28.366 -14.199 1.00 0.00 C ATOM 0 H PHE A 17 -1.855 -32.819 -12.996 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.003 -33.197 -11.072 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.210 -30.983 -10.389 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.789 -31.862 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.215 -29.213 -11.823 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.620 -31.261 -12.982 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.757 -27.458 -13.512 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.163 -29.502 -14.668 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.732 -27.600 -14.934 1.00 0.00 H new ATOM 281 N VAL A 18 -5.891 -31.657 -11.765 1.00 0.00 N ATOM 282 CA VAL A 18 -7.137 -31.068 -12.353 1.00 0.00 C ATOM 283 C VAL A 18 -6.898 -29.601 -12.733 1.00 0.00 C ATOM 284 O VAL A 18 -6.397 -28.819 -11.945 1.00 0.00 O ATOM 285 CB VAL A 18 -8.204 -31.171 -11.257 1.00 0.00 C ATOM 286 CG1 VAL A 18 -9.543 -30.657 -11.793 1.00 0.00 C ATOM 287 CG2 VAL A 18 -8.364 -32.633 -10.823 1.00 0.00 C ATOM 0 H VAL A 18 -5.923 -31.818 -10.758 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.444 -31.591 -13.259 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.895 -30.569 -10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.300 -30.731 -11.012 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.437 -29.616 -12.098 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.846 -31.258 -12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.123 -32.700 -10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.668 -33.235 -11.679 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.415 -33.004 -10.437 1.00 0.00 H new ATOM 297 N ARG A 19 -7.251 -29.232 -13.937 1.00 0.00 N ATOM 298 CA ARG A 19 -7.045 -27.823 -14.390 1.00 0.00 C ATOM 299 C ARG A 19 -8.317 -26.992 -14.161 1.00 0.00 C ATOM 300 O ARG A 19 -9.373 -27.327 -14.666 1.00 0.00 O ATOM 301 CB ARG A 19 -6.733 -27.930 -15.886 1.00 0.00 C ATOM 302 CG ARG A 19 -5.749 -26.827 -16.288 1.00 0.00 C ATOM 303 CD ARG A 19 -4.372 -27.440 -16.568 1.00 0.00 C ATOM 304 NE ARG A 19 -4.491 -28.078 -17.911 1.00 0.00 N ATOM 305 CZ ARG A 19 -3.680 -29.046 -18.249 1.00 0.00 C ATOM 306 NH1 ARG A 19 -3.815 -30.229 -17.707 1.00 0.00 N ATOM 307 NH2 ARG A 19 -2.735 -28.828 -19.127 1.00 0.00 N ATOM 0 H ARG A 19 -7.675 -29.849 -14.630 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.245 -27.328 -13.840 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.309 -28.909 -16.110 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.651 -27.841 -16.466 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.113 -26.307 -17.174 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.673 -26.086 -15.492 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.593 -26.677 -16.563 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.106 -28.173 -15.807 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.205 -27.759 -18.566 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.552 -30.395 -17.022 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.183 -30.985 -17.970 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.632 -27.904 -19.547 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.101 -29.582 -19.392 1.00 0.00 H new ATOM 321 N PRO A 20 -8.170 -25.927 -13.404 1.00 0.00 N ATOM 322 CA PRO A 20 -9.321 -25.033 -13.105 1.00 0.00 C ATOM 323 C PRO A 20 -9.683 -24.178 -14.329 1.00 0.00 C ATOM 324 O PRO A 20 -9.157 -24.369 -15.412 1.00 0.00 O ATOM 325 CB PRO A 20 -8.805 -24.158 -11.964 1.00 0.00 C ATOM 326 CG PRO A 20 -7.317 -24.158 -12.111 1.00 0.00 C ATOM 327 CD PRO A 20 -6.933 -25.463 -12.759 1.00 0.00 C ATOM 0 HA PRO A 20 -10.227 -25.580 -12.845 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.207 -23.147 -12.030 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.105 -24.557 -10.995 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.991 -23.315 -12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.834 -24.054 -11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.133 -25.326 -13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.574 -26.182 -12.023 1.00 0.00 H new ATOM 335 N LEU A 21 -10.579 -23.237 -14.160 1.00 0.00 N ATOM 336 CA LEU A 21 -10.987 -22.360 -15.304 1.00 0.00 C ATOM 337 C LEU A 21 -9.837 -21.421 -15.699 1.00 0.00 C ATOM 338 O LEU A 21 -8.997 -21.093 -14.880 1.00 0.00 O ATOM 339 CB LEU A 21 -12.184 -21.552 -14.791 1.00 0.00 C ATOM 340 CG LEU A 21 -13.486 -22.184 -15.292 1.00 0.00 C ATOM 341 CD1 LEU A 21 -14.151 -22.960 -14.153 1.00 0.00 C ATOM 342 CD2 LEU A 21 -14.433 -21.082 -15.778 1.00 0.00 C ATOM 0 H LEU A 21 -11.048 -23.037 -13.276 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.240 -22.942 -16.190 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.177 -21.525 -13.701 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.113 -20.520 -15.135 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.265 -22.865 -16.114 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.077 -23.409 -14.511 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.478 -23.744 -13.806 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.372 -22.280 -13.330 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.360 -21.530 -16.135 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.652 -20.402 -14.955 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.961 -20.529 -16.590 1.00 0.00 H new ATOM 354 N PRO A 22 -9.840 -21.016 -16.948 1.00 0.00 N ATOM 355 CA PRO A 22 -8.783 -20.104 -17.459 1.00 0.00 C ATOM 356 C PRO A 22 -8.963 -18.692 -16.882 1.00 0.00 C ATOM 357 O PRO A 22 -10.030 -18.110 -16.962 1.00 0.00 O ATOM 358 CB PRO A 22 -9.002 -20.113 -18.971 1.00 0.00 C ATOM 359 CG PRO A 22 -10.439 -20.483 -19.152 1.00 0.00 C ATOM 360 CD PRO A 22 -10.817 -21.365 -17.991 1.00 0.00 C ATOM 0 HA PRO A 22 -7.776 -20.415 -17.179 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.788 -19.137 -19.407 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.345 -20.832 -19.461 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -11.066 -19.592 -19.179 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.586 -21.006 -20.097 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.838 -21.175 -17.661 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -10.759 -22.421 -18.256 1.00 0.00 H new ATOM 368 N GLY A 23 -7.924 -18.143 -16.303 1.00 0.00 N ATOM 369 CA GLY A 23 -8.021 -16.771 -15.717 1.00 0.00 C ATOM 370 C GLY A 23 -6.976 -16.611 -14.609 1.00 0.00 C ATOM 371 O GLY A 23 -5.792 -16.521 -14.874 1.00 0.00 O ATOM 0 H GLY A 23 -7.011 -18.587 -16.211 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.862 -16.021 -16.492 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.021 -16.606 -15.315 1.00 0.00 H new ATOM 375 N GLY A 24 -7.404 -16.576 -13.369 1.00 0.00 N ATOM 376 CA GLY A 24 -6.437 -16.423 -12.240 1.00 0.00 C ATOM 377 C GLY A 24 -6.039 -14.949 -12.098 1.00 0.00 C ATOM 378 O GLY A 24 -5.054 -14.521 -12.667 1.00 0.00 O ATOM 0 H GLY A 24 -8.383 -16.647 -13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.886 -16.780 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.552 -17.033 -12.421 1.00 0.00 H new ATOM 382 N PRO A 25 -6.822 -14.217 -11.339 1.00 0.00 N ATOM 383 CA PRO A 25 -6.545 -12.773 -11.122 1.00 0.00 C ATOM 384 C PRO A 25 -5.342 -12.587 -10.184 1.00 0.00 C ATOM 385 O PRO A 25 -5.183 -13.305 -9.214 1.00 0.00 O ATOM 386 CB PRO A 25 -7.829 -12.254 -10.478 1.00 0.00 C ATOM 387 CG PRO A 25 -8.451 -13.451 -9.830 1.00 0.00 C ATOM 388 CD PRO A 25 -8.027 -14.660 -10.621 1.00 0.00 C ATOM 0 HA PRO A 25 -6.292 -12.244 -12.041 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.616 -11.475 -9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.495 -11.818 -11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.128 -13.538 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.537 -13.361 -9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.813 -15.507 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.808 -14.978 -11.312 1.00 0.00 H new ATOM 396 N ILE A 26 -4.496 -11.628 -10.472 1.00 0.00 N ATOM 397 CA ILE A 26 -3.297 -11.387 -9.610 1.00 0.00 C ATOM 398 C ILE A 26 -3.320 -9.952 -9.059 1.00 0.00 C ATOM 399 O ILE A 26 -4.029 -9.098 -9.559 1.00 0.00 O ATOM 400 CB ILE A 26 -2.090 -11.596 -10.538 1.00 0.00 C ATOM 401 CG1 ILE A 26 -2.142 -13.004 -11.147 1.00 0.00 C ATOM 402 CG2 ILE A 26 -0.790 -11.443 -9.743 1.00 0.00 C ATOM 403 CD1 ILE A 26 -2.430 -12.903 -12.647 1.00 0.00 C ATOM 0 H ILE A 26 -4.585 -10.999 -11.270 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.265 -12.054 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.122 -10.850 -11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.195 -13.518 -10.982 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.915 -13.595 -10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.062 -11.592 -10.406 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.743 -10.443 -9.311 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.762 -12.184 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.467 -13.903 -13.079 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.388 -12.406 -12.801 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.641 -12.328 -13.131 1.00 0.00 H new ATOM 415 N GLY A 27 -2.547 -9.683 -8.035 1.00 0.00 N ATOM 416 CA GLY A 27 -2.518 -8.307 -7.452 1.00 0.00 C ATOM 417 C GLY A 27 -3.519 -8.206 -6.291 1.00 0.00 C ATOM 418 O GLY A 27 -4.303 -9.108 -6.064 1.00 0.00 O ATOM 0 H GLY A 27 -1.934 -10.358 -7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.514 -8.074 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.764 -7.573 -8.219 1.00 0.00 H new ATOM 422 N PRO A 28 -3.450 -7.097 -5.592 1.00 0.00 N ATOM 423 CA PRO A 28 -4.356 -6.857 -4.432 1.00 0.00 C ATOM 424 C PRO A 28 -5.808 -6.606 -4.882 1.00 0.00 C ATOM 425 O PRO A 28 -6.712 -6.579 -4.069 1.00 0.00 O ATOM 426 CB PRO A 28 -3.772 -5.605 -3.779 1.00 0.00 C ATOM 427 CG PRO A 28 -3.035 -4.905 -4.875 1.00 0.00 C ATOM 428 CD PRO A 28 -2.530 -5.971 -5.809 1.00 0.00 C ATOM 0 HA PRO A 28 -4.405 -7.715 -3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.558 -4.973 -3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.105 -5.863 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.691 -4.210 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.208 -4.320 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.548 -5.635 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.500 -6.247 -5.581 1.00 0.00 H new ATOM 436 N TYR A 29 -6.040 -6.418 -6.163 1.00 0.00 N ATOM 437 CA TYR A 29 -7.433 -6.168 -6.652 1.00 0.00 C ATOM 438 C TYR A 29 -8.252 -7.469 -6.623 1.00 0.00 C ATOM 439 O TYR A 29 -8.565 -8.044 -7.650 1.00 0.00 O ATOM 440 CB TYR A 29 -7.259 -5.657 -8.087 1.00 0.00 C ATOM 441 CG TYR A 29 -8.560 -5.079 -8.599 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.125 -3.954 -7.981 1.00 0.00 C ATOM 443 CD2 TYR A 29 -9.196 -5.662 -9.701 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.323 -3.418 -8.467 1.00 0.00 C ATOM 445 CE2 TYR A 29 -10.395 -5.127 -10.185 1.00 0.00 C ATOM 446 CZ TYR A 29 -10.958 -4.005 -9.567 1.00 0.00 C ATOM 447 OH TYR A 29 -12.140 -3.475 -10.044 1.00 0.00 O ATOM 0 H TYR A 29 -5.323 -6.427 -6.889 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.971 -5.452 -6.030 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.478 -4.897 -8.118 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.936 -6.472 -8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.636 -3.502 -7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.760 -6.527 -10.179 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.758 -2.551 -7.993 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.885 -5.579 -11.034 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.448 -4.000 -10.812 1.00 0.00 H new ATOM 457 N ASN A 30 -8.596 -7.938 -5.447 1.00 0.00 N ATOM 458 CA ASN A 30 -9.393 -9.201 -5.337 1.00 0.00 C ATOM 459 C ASN A 30 -10.050 -9.317 -3.951 1.00 0.00 C ATOM 460 O ASN A 30 -10.048 -10.371 -3.341 1.00 0.00 O ATOM 461 CB ASN A 30 -8.377 -10.330 -5.550 1.00 0.00 C ATOM 462 CG ASN A 30 -8.976 -11.391 -6.474 1.00 0.00 C ATOM 463 OD1 ASN A 30 -8.636 -11.458 -7.637 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.860 -12.230 -6.005 1.00 0.00 N ATOM 0 H ASN A 30 -8.359 -7.500 -4.557 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.204 -9.235 -6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.460 -9.931 -5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.108 -10.777 -4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.263 -12.940 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.147 -12.175 -5.028 1.00 0.00 H new ATOM 471 N GLY A 31 -10.618 -8.245 -3.452 1.00 0.00 N ATOM 472 CA GLY A 31 -11.276 -8.298 -2.110 1.00 0.00 C ATOM 473 C GLY A 31 -12.283 -7.151 -1.971 1.00 0.00 C ATOM 474 O GLY A 31 -12.342 -6.492 -0.950 1.00 0.00 O ATOM 0 H GLY A 31 -10.654 -7.337 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.783 -9.255 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.524 -8.229 -1.324 1.00 0.00 H new ATOM 478 N CYS A 32 -13.075 -6.908 -2.989 1.00 0.00 N ATOM 479 CA CYS A 32 -14.081 -5.801 -2.924 1.00 0.00 C ATOM 480 C CYS A 32 -14.996 -5.841 -4.159 1.00 0.00 C ATOM 481 O CYS A 32 -14.544 -5.588 -5.260 1.00 0.00 O ATOM 482 CB CYS A 32 -13.262 -4.509 -2.926 1.00 0.00 C ATOM 483 SG CYS A 32 -14.372 -3.112 -2.629 1.00 0.00 S ATOM 0 H CYS A 32 -13.067 -7.431 -3.865 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.717 -5.883 -2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.492 -4.549 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.751 -4.388 -3.881 1.00 0.00 H new ATOM 488 N PRO A 33 -16.254 -6.152 -3.944 1.00 0.00 N ATOM 489 CA PRO A 33 -17.221 -6.207 -5.072 1.00 0.00 C ATOM 490 C PRO A 33 -17.553 -4.790 -5.567 1.00 0.00 C ATOM 491 O PRO A 33 -17.531 -3.836 -4.811 1.00 0.00 O ATOM 492 CB PRO A 33 -18.448 -6.879 -4.462 1.00 0.00 C ATOM 493 CG PRO A 33 -18.356 -6.605 -2.995 1.00 0.00 C ATOM 494 CD PRO A 33 -16.892 -6.480 -2.657 1.00 0.00 C ATOM 0 HA PRO A 33 -16.838 -6.745 -5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.369 -6.473 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.451 -7.950 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.889 -5.689 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.816 -7.411 -2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.719 -5.700 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.498 -7.407 -2.241 1.00 0.00 H new ATOM 502 N VAL A 34 -17.860 -4.649 -6.833 1.00 0.00 N ATOM 503 CA VAL A 34 -18.195 -3.297 -7.385 1.00 0.00 C ATOM 504 C VAL A 34 -19.648 -2.922 -7.045 1.00 0.00 C ATOM 505 O VAL A 34 -19.981 -1.758 -6.923 1.00 0.00 O ATOM 506 CB VAL A 34 -18.000 -3.422 -8.902 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.409 -2.114 -9.586 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.525 -3.707 -9.206 1.00 0.00 C ATOM 0 H VAL A 34 -17.893 -5.412 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.566 -2.513 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.619 -4.238 -9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.269 -2.207 -10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.457 -1.904 -9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.792 -1.298 -9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.386 -3.796 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.911 -2.890 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.227 -4.638 -8.724 1.00 0.00 H new ATOM 518 N SER A 35 -20.513 -3.898 -6.887 1.00 0.00 N ATOM 519 CA SER A 35 -21.941 -3.597 -6.551 1.00 0.00 C ATOM 520 C SER A 35 -22.086 -3.155 -5.082 1.00 0.00 C ATOM 521 O SER A 35 -23.130 -2.673 -4.683 1.00 0.00 O ATOM 522 CB SER A 35 -22.694 -4.909 -6.790 1.00 0.00 C ATOM 523 OG SER A 35 -24.043 -4.622 -7.137 1.00 0.00 O ATOM 0 H SER A 35 -20.291 -4.889 -6.976 1.00 0.00 H new ATOM 0 HA SER A 35 -22.331 -2.780 -7.158 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.214 -5.476 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.661 -5.529 -5.894 1.00 0.00 H new ATOM 0 HG SER A 35 -24.526 -5.460 -7.292 1.00 0.00 H new ATOM 529 N CYS A 36 -21.054 -3.322 -4.277 1.00 0.00 N ATOM 530 CA CYS A 36 -21.125 -2.919 -2.830 1.00 0.00 C ATOM 531 C CYS A 36 -22.269 -3.652 -2.109 1.00 0.00 C ATOM 532 O CYS A 36 -22.793 -3.177 -1.116 1.00 0.00 O ATOM 533 CB CYS A 36 -21.365 -1.405 -2.831 1.00 0.00 C ATOM 534 SG CYS A 36 -19.960 -0.563 -3.605 1.00 0.00 S ATOM 0 H CYS A 36 -20.161 -3.723 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.209 -3.180 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.283 -1.173 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.498 -1.048 -1.810 1.00 0.00 H new ATOM 539 N ARG A 37 -22.652 -4.809 -2.596 1.00 0.00 N ATOM 540 CA ARG A 37 -23.752 -5.581 -1.946 1.00 0.00 C ATOM 541 C ARG A 37 -23.186 -6.842 -1.286 1.00 0.00 C ATOM 542 O ARG A 37 -22.140 -7.336 -1.666 1.00 0.00 O ATOM 543 CB ARG A 37 -24.708 -5.956 -3.082 1.00 0.00 C ATOM 544 CG ARG A 37 -25.636 -4.776 -3.387 1.00 0.00 C ATOM 545 CD ARG A 37 -27.037 -5.075 -2.843 1.00 0.00 C ATOM 546 NE ARG A 37 -27.718 -3.750 -2.766 1.00 0.00 N ATOM 547 CZ ARG A 37 -27.551 -2.986 -1.717 1.00 0.00 C ATOM 548 NH1 ARG A 37 -28.030 -3.357 -0.558 1.00 0.00 N ATOM 549 NH2 ARG A 37 -26.905 -1.856 -1.830 1.00 0.00 N ATOM 0 H ARG A 37 -22.246 -5.251 -3.420 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.255 -5.007 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.141 -6.225 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.296 -6.830 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.245 -3.865 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.681 -4.603 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -27.577 -5.758 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.986 -5.549 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 37 -28.315 -3.439 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.533 -4.240 -0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -27.901 -2.763 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -26.532 -1.570 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -26.774 -1.259 -1.013 1.00 0.00 H new ATOM 563 N GLY A 38 -23.871 -7.366 -0.300 1.00 0.00 N ATOM 564 CA GLY A 38 -23.380 -8.595 0.392 1.00 0.00 C ATOM 565 C GLY A 38 -22.130 -8.272 1.223 1.00 0.00 C ATOM 566 O GLY A 38 -21.273 -9.113 1.412 1.00 0.00 O ATOM 0 H GLY A 38 -24.751 -6.994 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.162 -8.994 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.148 -9.367 -0.342 1.00 0.00 H new ATOM 570 N ILE A 39 -22.022 -7.064 1.726 1.00 0.00 N ATOM 571 CA ILE A 39 -20.832 -6.692 2.551 1.00 0.00 C ATOM 572 C ILE A 39 -21.284 -6.005 3.840 1.00 0.00 C ATOM 573 O ILE A 39 -22.380 -5.479 3.925 1.00 0.00 O ATOM 574 CB ILE A 39 -19.994 -5.727 1.695 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.761 -4.414 1.483 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.688 -6.369 0.338 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.929 -3.463 0.618 1.00 0.00 C ATOM 0 H ILE A 39 -22.709 -6.320 1.599 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.252 -7.571 2.833 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.058 -5.515 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.718 -4.615 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.979 -3.950 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.094 -5.681 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.130 -7.293 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.622 -6.590 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.477 -2.532 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.983 -3.252 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.734 -3.927 -0.349 1.00 0.00 H new ATOM 589 N SER A 40 -20.442 -6.000 4.836 1.00 0.00 N ATOM 590 CA SER A 40 -20.804 -5.343 6.122 1.00 0.00 C ATOM 591 C SER A 40 -20.548 -3.838 6.015 1.00 0.00 C ATOM 592 O SER A 40 -19.774 -3.394 5.188 1.00 0.00 O ATOM 593 CB SER A 40 -19.879 -5.969 7.170 1.00 0.00 C ATOM 594 OG SER A 40 -19.723 -7.359 6.904 1.00 0.00 O ATOM 0 H SER A 40 -19.515 -6.425 4.814 1.00 0.00 H new ATOM 0 HA SER A 40 -21.854 -5.481 6.380 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.908 -5.475 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.293 -5.824 8.168 1.00 0.00 H new ATOM 0 HG SER A 40 -18.800 -7.538 6.627 1.00 0.00 H new ATOM 600 N PHE A 41 -21.184 -3.051 6.846 1.00 0.00 N ATOM 601 CA PHE A 41 -20.964 -1.570 6.795 1.00 0.00 C ATOM 602 C PHE A 41 -19.473 -1.262 6.971 1.00 0.00 C ATOM 603 O PHE A 41 -18.908 -0.456 6.255 1.00 0.00 O ATOM 604 CB PHE A 41 -21.775 -1.001 7.965 1.00 0.00 C ATOM 605 CG PHE A 41 -21.681 0.508 7.966 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.381 1.257 7.011 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.890 1.158 8.922 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.289 2.653 7.012 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.799 2.554 8.923 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.498 3.302 7.968 1.00 0.00 C ATOM 0 H PHE A 41 -21.844 -3.367 7.556 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.274 -1.136 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.817 -1.310 7.882 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.399 -1.399 8.908 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.992 0.757 6.274 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.350 0.581 9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.828 3.230 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.189 3.055 9.661 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.427 4.380 7.969 1.00 0.00 H new ATOM 620 N SER A 42 -18.833 -1.912 7.911 1.00 0.00 N ATOM 621 CA SER A 42 -17.373 -1.679 8.133 1.00 0.00 C ATOM 622 C SER A 42 -16.570 -2.214 6.941 1.00 0.00 C ATOM 623 O SER A 42 -15.573 -1.636 6.547 1.00 0.00 O ATOM 624 CB SER A 42 -17.026 -2.456 9.405 1.00 0.00 C ATOM 625 OG SER A 42 -15.873 -1.881 10.010 1.00 0.00 O ATOM 0 H SER A 42 -19.260 -2.596 8.536 1.00 0.00 H new ATOM 0 HA SER A 42 -17.136 -0.620 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.865 -2.431 10.100 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.841 -3.503 9.166 1.00 0.00 H new ATOM 0 HG SER A 42 -15.650 -2.376 10.826 1.00 0.00 H new ATOM 631 N GLN A 43 -17.007 -3.309 6.360 1.00 0.00 N ATOM 632 CA GLN A 43 -16.284 -3.887 5.185 1.00 0.00 C ATOM 633 C GLN A 43 -16.341 -2.911 4.005 1.00 0.00 C ATOM 634 O GLN A 43 -15.360 -2.702 3.315 1.00 0.00 O ATOM 635 CB GLN A 43 -17.037 -5.183 4.853 1.00 0.00 C ATOM 636 CG GLN A 43 -16.041 -6.285 4.479 1.00 0.00 C ATOM 637 CD GLN A 43 -15.990 -7.342 5.589 1.00 0.00 C ATOM 638 OE1 GLN A 43 -17.013 -7.799 6.061 1.00 0.00 O ATOM 639 NE2 GLN A 43 -14.832 -7.754 6.030 1.00 0.00 N ATOM 0 H GLN A 43 -17.836 -3.827 6.652 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.231 -4.074 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.634 -5.496 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.728 -5.011 4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.335 -6.748 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.050 -5.856 4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.972 -7.373 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.788 -8.457 6.768 1.00 0.00 H new ATOM 648 N ALA A 44 -17.481 -2.303 3.780 1.00 0.00 N ATOM 649 CA ALA A 44 -17.605 -1.328 2.654 1.00 0.00 C ATOM 650 C ALA A 44 -16.744 -0.090 2.935 1.00 0.00 C ATOM 651 O ALA A 44 -16.141 0.473 2.040 1.00 0.00 O ATOM 652 CB ALA A 44 -19.093 -0.963 2.603 1.00 0.00 C ATOM 0 H ALA A 44 -18.330 -2.441 4.328 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.262 -1.741 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.265 -0.248 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.682 -1.862 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.391 -0.519 3.553 1.00 0.00 H new ATOM 658 N ARG A 45 -16.675 0.324 4.179 1.00 0.00 N ATOM 659 CA ARG A 45 -15.843 1.512 4.536 1.00 0.00 C ATOM 660 C ARG A 45 -14.356 1.206 4.295 1.00 0.00 C ATOM 661 O ARG A 45 -13.609 2.038 3.810 1.00 0.00 O ATOM 662 CB ARG A 45 -16.096 1.745 6.029 1.00 0.00 C ATOM 663 CG ARG A 45 -17.325 2.639 6.213 1.00 0.00 C ATOM 664 CD ARG A 45 -17.353 3.190 7.643 1.00 0.00 C ATOM 665 NE ARG A 45 -17.604 2.007 8.515 1.00 0.00 N ATOM 666 CZ ARG A 45 -16.907 1.836 9.607 1.00 0.00 C ATOM 667 NH1 ARG A 45 -17.233 2.484 10.695 1.00 0.00 N ATOM 668 NH2 ARG A 45 -15.883 1.023 9.609 1.00 0.00 N ATOM 0 H ARG A 45 -17.161 -0.113 4.962 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.097 2.386 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.249 0.792 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.224 2.212 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.300 3.460 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.233 2.070 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.409 3.673 7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.136 3.939 7.761 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.322 1.329 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.030 3.121 10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.691 2.352 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.628 0.522 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.339 0.890 10.462 1.00 0.00 H new ATOM 682 N SER A 46 -13.932 0.014 4.642 1.00 0.00 N ATOM 683 CA SER A 46 -12.498 -0.373 4.458 1.00 0.00 C ATOM 684 C SER A 46 -12.090 -0.319 2.981 1.00 0.00 C ATOM 685 O SER A 46 -11.035 0.187 2.646 1.00 0.00 O ATOM 686 CB SER A 46 -12.399 -1.807 4.983 1.00 0.00 C ATOM 687 OG SER A 46 -11.141 -1.987 5.621 1.00 0.00 O ATOM 0 H SER A 46 -14.523 -0.712 5.048 1.00 0.00 H new ATOM 0 HA SER A 46 -11.832 0.310 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.208 -2.006 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.508 -2.516 4.162 1.00 0.00 H new ATOM 0 HG SER A 46 -11.074 -2.904 5.960 1.00 0.00 H new ATOM 693 N CYS A 47 -12.905 -0.844 2.093 1.00 0.00 N ATOM 694 CA CYS A 47 -12.532 -0.822 0.643 1.00 0.00 C ATOM 695 C CYS A 47 -12.555 0.606 0.089 1.00 0.00 C ATOM 696 O CYS A 47 -11.777 0.944 -0.780 1.00 0.00 O ATOM 697 CB CYS A 47 -13.567 -1.684 -0.081 1.00 0.00 C ATOM 698 SG CYS A 47 -13.171 -1.695 -1.847 1.00 0.00 S ATOM 0 H CYS A 47 -13.801 -1.281 2.308 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.521 -1.202 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.558 -2.699 0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.569 -1.287 0.080 1.00 0.00 H new ATOM 703 N CYS A 48 -13.437 1.444 0.572 1.00 0.00 N ATOM 704 CA CYS A 48 -13.491 2.849 0.051 1.00 0.00 C ATOM 705 C CYS A 48 -12.156 3.563 0.295 1.00 0.00 C ATOM 706 O CYS A 48 -11.666 4.283 -0.552 1.00 0.00 O ATOM 707 CB CYS A 48 -14.607 3.532 0.836 1.00 0.00 C ATOM 708 SG CYS A 48 -14.696 5.282 0.375 1.00 0.00 S ATOM 0 H CYS A 48 -14.118 1.221 1.298 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.675 2.874 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.560 3.043 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.423 3.437 1.906 1.00 0.00 H new ATOM 713 N SER A 49 -11.572 3.376 1.451 1.00 0.00 N ATOM 714 CA SER A 49 -10.274 4.053 1.755 1.00 0.00 C ATOM 715 C SER A 49 -9.083 3.269 1.187 1.00 0.00 C ATOM 716 O SER A 49 -8.020 3.819 0.978 1.00 0.00 O ATOM 717 CB SER A 49 -10.201 4.099 3.281 1.00 0.00 C ATOM 718 OG SER A 49 -9.075 4.873 3.673 1.00 0.00 O ATOM 0 H SER A 49 -11.937 2.784 2.197 1.00 0.00 H new ATOM 0 HA SER A 49 -10.227 5.044 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.115 4.533 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.121 3.089 3.684 1.00 0.00 H new ATOM 0 HG SER A 49 -9.025 4.906 4.651 1.00 0.00 H new ATOM 724 N ARG A 50 -9.241 1.992 0.946 1.00 0.00 N ATOM 725 CA ARG A 50 -8.100 1.188 0.407 1.00 0.00 C ATOM 726 C ARG A 50 -8.163 1.073 -1.125 1.00 0.00 C ATOM 727 O ARG A 50 -7.150 0.886 -1.771 1.00 0.00 O ATOM 728 CB ARG A 50 -8.248 -0.194 1.050 1.00 0.00 C ATOM 729 CG ARG A 50 -6.869 -0.846 1.181 1.00 0.00 C ATOM 730 CD ARG A 50 -6.897 -1.881 2.309 1.00 0.00 C ATOM 731 NE ARG A 50 -6.576 -1.114 3.547 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.574 -1.480 4.302 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.753 -2.379 5.232 1.00 0.00 N ATOM 734 NH2 ARG A 50 -4.393 -0.945 4.123 1.00 0.00 N ATOM 0 H ARG A 50 -10.106 1.473 1.098 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.143 1.656 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.713 -0.102 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.902 -0.821 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.591 -1.324 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.115 -0.087 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.874 -2.358 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.168 -2.673 2.136 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.139 -0.303 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.674 -2.795 5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.972 -2.665 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.256 -0.244 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.610 -1.229 4.711 1.00 0.00 H new ATOM 748 N LEU A 51 -9.334 1.160 -1.709 1.00 0.00 N ATOM 749 CA LEU A 51 -9.442 1.029 -3.199 1.00 0.00 C ATOM 750 C LEU A 51 -10.375 2.087 -3.817 1.00 0.00 C ATOM 751 O LEU A 51 -10.594 2.088 -5.015 1.00 0.00 O ATOM 752 CB LEU A 51 -10.021 -0.372 -3.419 1.00 0.00 C ATOM 753 CG LEU A 51 -8.885 -1.399 -3.478 1.00 0.00 C ATOM 754 CD1 LEU A 51 -9.375 -2.737 -2.918 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.442 -1.587 -4.932 1.00 0.00 C ATOM 0 H LEU A 51 -10.217 1.315 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.473 1.178 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.709 -0.622 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.595 -0.397 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.043 -1.043 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.567 -3.467 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.691 -2.605 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.217 -3.093 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.634 -2.317 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.284 -1.942 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.092 -0.635 -5.332 1.00 0.00 H new ATOM 767 N GLY A 52 -10.930 2.980 -3.029 1.00 0.00 N ATOM 768 CA GLY A 52 -11.848 4.016 -3.599 1.00 0.00 C ATOM 769 C GLY A 52 -13.140 3.353 -4.106 1.00 0.00 C ATOM 770 O GLY A 52 -13.788 3.856 -5.004 1.00 0.00 O ATOM 0 H GLY A 52 -10.787 3.035 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.086 4.761 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.354 4.541 -4.417 1.00 0.00 H new ATOM 774 N ARG A 53 -13.516 2.230 -3.540 1.00 0.00 N ATOM 775 CA ARG A 53 -14.760 1.534 -3.990 1.00 0.00 C ATOM 776 C ARG A 53 -15.784 1.482 -2.853 1.00 0.00 C ATOM 777 O ARG A 53 -15.432 1.386 -1.693 1.00 0.00 O ATOM 778 CB ARG A 53 -14.319 0.118 -4.363 1.00 0.00 C ATOM 779 CG ARG A 53 -13.865 0.081 -5.825 1.00 0.00 C ATOM 780 CD ARG A 53 -14.681 -0.963 -6.596 1.00 0.00 C ATOM 781 NE ARG A 53 -13.689 -1.682 -7.449 1.00 0.00 N ATOM 782 CZ ARG A 53 -13.176 -1.092 -8.496 1.00 0.00 C ATOM 783 NH1 ARG A 53 -13.816 -1.113 -9.637 1.00 0.00 N ATOM 784 NH2 ARG A 53 -12.026 -0.480 -8.398 1.00 0.00 N ATOM 0 H ARG A 53 -13.012 1.766 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.232 2.051 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.505 -0.202 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.142 -0.580 -4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.992 1.063 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.804 -0.161 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.186 -1.649 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.453 -0.490 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.411 -2.635 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.715 -1.590 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.416 -0.653 -10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.531 -0.464 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.623 -0.018 -9.213 1.00 0.00 H new ATOM 798 N CYS A 54 -17.049 1.558 -3.191 1.00 0.00 N ATOM 799 CA CYS A 54 -18.137 1.526 -2.161 1.00 0.00 C ATOM 800 C CYS A 54 -17.966 2.713 -1.215 1.00 0.00 C ATOM 801 O CYS A 54 -17.887 2.568 -0.010 1.00 0.00 O ATOM 802 CB CYS A 54 -17.989 0.190 -1.418 1.00 0.00 C ATOM 803 SG CYS A 54 -18.352 -1.183 -2.547 1.00 0.00 S ATOM 0 H CYS A 54 -17.379 1.642 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.130 1.602 -2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.977 0.092 -1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.667 0.161 -0.565 1.00 0.00 H new ATOM 808 N CYS A 55 -17.885 3.888 -1.776 1.00 0.00 N ATOM 809 CA CYS A 55 -17.693 5.114 -0.956 1.00 0.00 C ATOM 810 C CYS A 55 -19.019 5.868 -0.747 1.00 0.00 C ATOM 811 O CYS A 55 -19.065 6.854 -0.037 1.00 0.00 O ATOM 812 CB CYS A 55 -16.712 5.951 -1.779 1.00 0.00 C ATOM 813 SG CYS A 55 -15.046 5.263 -1.615 1.00 0.00 S ATOM 0 H CYS A 55 -17.945 4.051 -2.781 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.326 4.891 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.013 5.957 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.725 6.986 -1.437 1.00 0.00 H new ATOM 818 N HIS A 56 -20.095 5.418 -1.352 1.00 0.00 N ATOM 819 CA HIS A 56 -21.403 6.112 -1.178 1.00 0.00 C ATOM 820 C HIS A 56 -22.483 5.111 -0.738 1.00 0.00 C ATOM 821 O HIS A 56 -23.582 5.098 -1.259 1.00 0.00 O ATOM 822 CB HIS A 56 -21.721 6.689 -2.561 1.00 0.00 C ATOM 823 CG HIS A 56 -22.438 8.002 -2.407 1.00 0.00 C ATOM 824 ND1 HIS A 56 -21.764 9.186 -2.157 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.769 8.332 -2.464 1.00 0.00 C ATOM 826 CE1 HIS A 56 -22.683 10.165 -2.074 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.921 9.699 -2.254 1.00 0.00 N ATOM 0 H HIS A 56 -20.119 4.598 -1.959 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.369 6.886 -0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.801 6.830 -3.128 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.339 5.990 -3.125 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -20.755 9.296 -2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.575 7.637 -2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -22.448 11.202 -1.885 1.00 0.00 H new ATOM 835 N VAL A 57 -22.173 4.271 0.221 1.00 0.00 N ATOM 836 CA VAL A 57 -23.174 3.267 0.700 1.00 0.00 C ATOM 837 C VAL A 57 -24.006 3.851 1.852 1.00 0.00 C ATOM 838 O VAL A 57 -23.510 4.608 2.666 1.00 0.00 O ATOM 839 CB VAL A 57 -22.346 2.069 1.185 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.277 0.957 1.678 1.00 0.00 C ATOM 841 CG2 VAL A 57 -21.494 1.534 0.031 1.00 0.00 C ATOM 0 H VAL A 57 -21.269 4.238 0.693 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.875 2.982 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.701 2.391 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.683 0.110 2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.885 1.330 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.927 0.638 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.906 0.683 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.144 1.219 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.824 2.319 -0.321 1.00 0.00 H new ATOM 851 N GLY A 58 -25.267 3.496 1.924 1.00 0.00 N ATOM 852 CA GLY A 58 -26.140 4.016 3.019 1.00 0.00 C ATOM 853 C GLY A 58 -26.717 5.377 2.623 1.00 0.00 C ATOM 854 O GLY A 58 -26.213 6.412 3.019 1.00 0.00 O ATOM 0 H GLY A 58 -25.729 2.866 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.948 3.312 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.566 4.109 3.941 1.00 0.00 H new ATOM 858 N LYS A 59 -27.774 5.378 1.848 1.00 0.00 N ATOM 859 CA LYS A 59 -28.401 6.667 1.419 1.00 0.00 C ATOM 860 C LYS A 59 -29.785 6.408 0.806 1.00 0.00 C ATOM 861 O LYS A 59 -29.915 5.695 -0.171 1.00 0.00 O ATOM 862 CB LYS A 59 -27.450 7.249 0.369 1.00 0.00 C ATOM 863 CG LYS A 59 -27.832 8.703 0.080 1.00 0.00 C ATOM 864 CD LYS A 59 -26.677 9.407 -0.638 1.00 0.00 C ATOM 865 CE LYS A 59 -26.511 10.825 -0.081 1.00 0.00 C ATOM 866 NZ LYS A 59 -25.625 10.678 1.111 1.00 0.00 N ATOM 0 H LYS A 59 -28.231 4.538 1.493 1.00 0.00 H new ATOM 0 HA LYS A 59 -28.547 7.349 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.422 7.197 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.499 6.660 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.731 8.738 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -28.063 9.220 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.754 8.843 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -26.873 9.447 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.066 11.489 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -27.474 11.254 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.468 11.611 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.076 10.047 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.713 10.274 0.818 1.00 0.00 H new ATOM 880 N GLY A 60 -30.818 6.988 1.372 1.00 0.00 N ATOM 881 CA GLY A 60 -32.194 6.784 0.825 1.00 0.00 C ATOM 882 C GLY A 60 -32.850 5.580 1.506 1.00 0.00 C ATOM 883 O GLY A 60 -32.242 4.539 1.669 1.00 0.00 O ATOM 0 H GLY A 60 -30.765 7.594 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -32.796 7.678 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -32.147 6.623 -0.252 1.00 0.00 H new ATOM 887 N TYR A 61 -34.093 5.712 1.901 1.00 0.00 N ATOM 888 CA TYR A 61 -34.798 4.577 2.569 1.00 0.00 C ATOM 889 C TYR A 61 -35.086 3.459 1.559 1.00 0.00 C ATOM 890 O TYR A 61 -35.178 3.693 0.368 1.00 0.00 O ATOM 891 CB TYR A 61 -36.104 5.171 3.106 1.00 0.00 C ATOM 892 CG TYR A 61 -36.723 4.220 4.103 1.00 0.00 C ATOM 893 CD1 TYR A 61 -36.263 4.195 5.425 1.00 0.00 C ATOM 894 CD2 TYR A 61 -37.755 3.363 3.705 1.00 0.00 C ATOM 895 CE1 TYR A 61 -36.833 3.312 6.348 1.00 0.00 C ATOM 896 CE2 TYR A 61 -38.327 2.480 4.628 1.00 0.00 C ATOM 897 CZ TYR A 61 -37.866 2.454 5.950 1.00 0.00 C ATOM 898 OH TYR A 61 -38.429 1.583 6.859 1.00 0.00 O ATOM 0 H TYR A 61 -34.650 6.559 1.789 1.00 0.00 H new ATOM 0 HA TYR A 61 -34.199 4.135 3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -35.910 6.134 3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -36.797 5.354 2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -35.468 4.858 5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -38.110 3.383 2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -36.477 3.292 7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -39.124 1.819 4.321 1.00 0.00 H new ATOM 0 HH TYR A 61 -39.132 1.061 6.419 1.00 0.00 H new ATOM 908 N SER A 62 -35.228 2.248 2.032 1.00 0.00 N ATOM 909 CA SER A 62 -35.508 1.104 1.113 1.00 0.00 C ATOM 910 C SER A 62 -36.699 0.282 1.619 1.00 0.00 C ATOM 911 O SER A 62 -37.105 0.394 2.762 1.00 0.00 O ATOM 912 CB SER A 62 -34.234 0.256 1.118 1.00 0.00 C ATOM 913 OG SER A 62 -33.771 0.092 2.455 1.00 0.00 O ATOM 0 H SER A 62 -35.162 2.001 3.019 1.00 0.00 H new ATOM 0 HA SER A 62 -35.765 1.447 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 62 -34.432 -0.718 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 62 -33.464 0.735 0.513 1.00 0.00 H new ATOM 0 HG SER A 62 -32.956 -0.453 2.455 1.00 0.00 H new ATOM 919 N GLY A 63 -37.255 -0.545 0.774 1.00 0.00 N ATOM 920 CA GLY A 63 -38.417 -1.383 1.190 1.00 0.00 C ATOM 921 C GLY A 63 -38.994 -2.101 -0.031 1.00 0.00 C ATOM 922 O GLY A 63 -39.780 -1.490 -0.736 1.00 0.00 O ATOM 923 OXT GLY A 63 -38.636 -3.248 -0.243 1.00 0.00 O ATOM 0 H GLY A 63 -36.953 -0.677 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -38.104 -2.111 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -39.182 -0.759 1.653 1.00 0.00 H new TER 927 GLY A 63