USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= -0.929 K(o=-0.93,f=0.36) USER MOD Set 2.1: A 16 SER OG : rot -130:sc= 0 USER MOD Set 2.2: A 37 GLN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0499 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.196! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.0653 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.7) USER MOD Single : A 22 LYS NZ :NH3+ 124:sc=-0.00708 (180deg=-0.617) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -41:sc= 0.687 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0859) USER MOD Single : A 46 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.0015) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.387) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.283 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 75 SER OG : rot 62:sc= 0.108 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -55:sc= 0.034 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.748 -0.739 -46.170 1.00 0.00 N ATOM 2 CA GLY A 1 -1.207 -0.746 -44.824 1.00 0.00 C ATOM 3 C GLY A 1 -1.747 -1.890 -43.988 1.00 0.00 C ATOM 4 O GLY A 1 -2.177 -2.911 -44.524 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.971 -0.660 -46.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.270 -1.622 -46.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.392 0.070 -46.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.120 -0.817 -44.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.443 0.200 -44.336 1.00 0.00 H new ATOM 8 N SER A 2 -1.724 -1.719 -42.670 1.00 0.00 N ATOM 9 CA SER A 2 -2.211 -2.747 -41.757 1.00 0.00 C ATOM 10 C SER A 2 -2.200 -2.245 -40.317 1.00 0.00 C ATOM 11 O SER A 2 -1.180 -1.766 -39.822 1.00 0.00 O ATOM 12 CB SER A 2 -1.354 -4.010 -41.875 1.00 0.00 C ATOM 13 OG SER A 2 -0.096 -3.833 -41.248 1.00 0.00 O ATOM 0 H SER A 2 -1.373 -0.879 -42.210 1.00 0.00 H new ATOM 0 HA SER A 2 -3.238 -2.985 -42.032 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.876 -4.851 -41.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.208 -4.257 -42.926 1.00 0.00 H new ATOM 0 HG SER A 2 -0.170 -3.144 -40.555 1.00 0.00 H new ATOM 19 N SER A 3 -3.344 -2.358 -39.649 1.00 0.00 N ATOM 20 CA SER A 3 -3.470 -1.912 -38.267 1.00 0.00 C ATOM 21 C SER A 3 -3.982 -3.039 -37.376 1.00 0.00 C ATOM 22 O SER A 3 -4.275 -4.136 -37.851 1.00 0.00 O ATOM 23 CB SER A 3 -4.412 -0.710 -38.180 1.00 0.00 C ATOM 24 OG SER A 3 -3.948 0.362 -38.983 1.00 0.00 O ATOM 0 H SER A 3 -4.197 -2.755 -40.043 1.00 0.00 H new ATOM 0 HA SER A 3 -2.481 -1.616 -37.916 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.411 -1.003 -38.502 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.494 -0.383 -37.144 1.00 0.00 H new ATOM 0 HG SER A 3 -4.569 1.117 -38.911 1.00 0.00 H new ATOM 30 N GLY A 4 -4.087 -2.761 -36.080 1.00 0.00 N ATOM 31 CA GLY A 4 -4.563 -3.761 -35.143 1.00 0.00 C ATOM 32 C GLY A 4 -5.050 -3.152 -33.843 1.00 0.00 C ATOM 33 O GLY A 4 -5.207 -1.935 -33.740 1.00 0.00 O ATOM 0 H GLY A 4 -3.851 -1.861 -35.663 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.374 -4.327 -35.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.760 -4.468 -34.931 1.00 0.00 H new ATOM 37 N SER A 5 -5.292 -3.999 -32.848 1.00 0.00 N ATOM 38 CA SER A 5 -5.770 -3.538 -31.550 1.00 0.00 C ATOM 39 C SER A 5 -5.153 -4.357 -30.421 1.00 0.00 C ATOM 40 O SER A 5 -5.119 -5.586 -30.478 1.00 0.00 O ATOM 41 CB SER A 5 -7.296 -3.626 -31.484 1.00 0.00 C ATOM 42 OG SER A 5 -7.744 -4.938 -31.779 1.00 0.00 O ATOM 0 H SER A 5 -5.165 -5.009 -32.916 1.00 0.00 H new ATOM 0 HA SER A 5 -5.467 -2.498 -31.428 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.638 -3.336 -30.490 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.735 -2.921 -32.190 1.00 0.00 H new ATOM 0 HG SER A 5 -7.091 -5.589 -31.446 1.00 0.00 H new ATOM 48 N SER A 6 -4.665 -3.666 -29.395 1.00 0.00 N ATOM 49 CA SER A 6 -4.044 -4.328 -28.254 1.00 0.00 C ATOM 50 C SER A 6 -4.582 -3.766 -26.941 1.00 0.00 C ATOM 51 O SER A 6 -4.666 -2.552 -26.761 1.00 0.00 O ATOM 52 CB SER A 6 -2.524 -4.164 -28.307 1.00 0.00 C ATOM 53 OG SER A 6 -2.004 -4.621 -29.543 1.00 0.00 O ATOM 0 H SER A 6 -4.688 -2.648 -29.331 1.00 0.00 H new ATOM 0 HA SER A 6 -4.290 -5.389 -28.303 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.263 -3.115 -28.165 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.066 -4.720 -27.489 1.00 0.00 H new ATOM 0 HG SER A 6 -1.031 -4.504 -29.552 1.00 0.00 H new ATOM 59 N GLY A 7 -4.947 -4.660 -26.027 1.00 0.00 N ATOM 60 CA GLY A 7 -5.473 -4.236 -24.743 1.00 0.00 C ATOM 61 C GLY A 7 -4.648 -4.750 -23.580 1.00 0.00 C ATOM 62 O GLY A 7 -3.519 -5.206 -23.763 1.00 0.00 O ATOM 0 H GLY A 7 -4.888 -5.670 -26.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.505 -3.147 -24.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.499 -4.588 -24.640 1.00 0.00 H new ATOM 66 N LYS A 8 -5.212 -4.676 -22.379 1.00 0.00 N ATOM 67 CA LYS A 8 -4.521 -5.138 -21.180 1.00 0.00 C ATOM 68 C LYS A 8 -4.849 -6.599 -20.892 1.00 0.00 C ATOM 69 O LYS A 8 -5.991 -7.041 -21.018 1.00 0.00 O ATOM 70 CB LYS A 8 -4.908 -4.271 -19.979 1.00 0.00 C ATOM 71 CG LYS A 8 -4.066 -3.015 -19.840 1.00 0.00 C ATOM 72 CD LYS A 8 -4.354 -2.024 -20.955 1.00 0.00 C ATOM 73 CE LYS A 8 -3.194 -1.062 -21.160 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.010 -0.158 -19.991 1.00 0.00 N ATOM 0 H LYS A 8 -6.145 -4.301 -22.210 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.448 -5.052 -21.353 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.957 -3.987 -20.069 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.815 -4.863 -19.069 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.265 -2.547 -18.876 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.009 -3.281 -19.853 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.548 -2.564 -21.882 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.257 -1.461 -20.719 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.278 -1.628 -21.329 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.370 -0.466 -22.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.210 0.482 -20.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.875 0.401 -19.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.817 -0.725 -19.141 1.00 0.00 H new ATOM 88 N PRO A 9 -3.825 -7.369 -20.495 1.00 0.00 N ATOM 89 CA PRO A 9 -3.980 -8.792 -20.179 1.00 0.00 C ATOM 90 C PRO A 9 -4.775 -9.018 -18.897 1.00 0.00 C ATOM 91 O PRO A 9 -5.273 -8.070 -18.290 1.00 0.00 O ATOM 92 CB PRO A 9 -2.538 -9.276 -20.006 1.00 0.00 C ATOM 93 CG PRO A 9 -1.774 -8.059 -19.616 1.00 0.00 C ATOM 94 CD PRO A 9 -2.436 -6.909 -20.323 1.00 0.00 C ATOM 0 HA PRO A 9 -4.533 -9.324 -20.954 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.469 -10.049 -19.240 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.152 -9.707 -20.930 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.793 -7.916 -18.536 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.727 -8.146 -19.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.386 -5.993 -19.735 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.961 -6.699 -21.281 1.00 0.00 H new ATOM 102 N ILE A 10 -4.889 -10.278 -18.491 1.00 0.00 N ATOM 103 CA ILE A 10 -5.622 -10.627 -17.281 1.00 0.00 C ATOM 104 C ILE A 10 -6.717 -9.607 -16.988 1.00 0.00 C ATOM 105 O ILE A 10 -6.848 -9.125 -15.862 1.00 0.00 O ATOM 106 CB ILE A 10 -4.684 -10.721 -16.062 1.00 0.00 C ATOM 107 CG1 ILE A 10 -5.397 -11.405 -14.894 1.00 0.00 C ATOM 108 CG2 ILE A 10 -4.202 -9.336 -15.657 1.00 0.00 C ATOM 109 CD1 ILE A 10 -5.698 -12.867 -15.143 1.00 0.00 C ATOM 0 H ILE A 10 -4.483 -11.074 -18.983 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.075 -11.603 -17.457 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.816 -11.321 -16.335 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.780 -11.316 -14.000 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.330 -10.880 -14.690 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.540 -9.419 -14.795 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.661 -8.882 -16.487 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.059 -8.714 -15.399 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.204 -13.288 -14.274 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.341 -12.962 -16.018 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.767 -13.406 -15.317 1.00 0.00 H new ATOM 121 N LYS A 11 -7.503 -9.281 -18.008 1.00 0.00 N ATOM 122 CA LYS A 11 -8.590 -8.321 -17.862 1.00 0.00 C ATOM 123 C LYS A 11 -9.821 -8.982 -17.250 1.00 0.00 C ATOM 124 O LYS A 11 -10.952 -8.686 -17.637 1.00 0.00 O ATOM 125 CB LYS A 11 -8.946 -7.711 -19.220 1.00 0.00 C ATOM 126 CG LYS A 11 -9.622 -8.688 -20.166 1.00 0.00 C ATOM 127 CD LYS A 11 -10.580 -7.979 -21.108 1.00 0.00 C ATOM 128 CE LYS A 11 -11.882 -7.617 -20.410 1.00 0.00 C ATOM 129 NZ LYS A 11 -12.898 -8.698 -20.536 1.00 0.00 N ATOM 0 H LYS A 11 -7.407 -9.669 -18.947 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.254 -7.529 -17.193 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.603 -6.856 -19.064 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.037 -7.334 -19.689 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.866 -9.217 -20.745 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.165 -9.437 -19.590 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.110 -7.075 -21.494 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.791 -8.620 -21.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.687 -7.423 -19.355 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.278 -6.695 -20.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.771 -8.413 -20.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.103 -8.866 -21.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.531 -9.571 -20.107 1.00 0.00 H new ATOM 143 N ILE A 12 -9.594 -9.876 -16.295 1.00 0.00 N ATOM 144 CA ILE A 12 -10.685 -10.576 -15.629 1.00 0.00 C ATOM 145 C ILE A 12 -10.763 -10.196 -14.154 1.00 0.00 C ATOM 146 O ILE A 12 -11.197 -10.991 -13.320 1.00 0.00 O ATOM 147 CB ILE A 12 -10.529 -12.104 -15.746 1.00 0.00 C ATOM 148 CG1 ILE A 12 -9.143 -12.535 -15.263 1.00 0.00 C ATOM 149 CG2 ILE A 12 -10.758 -12.551 -17.183 1.00 0.00 C ATOM 150 CD1 ILE A 12 -9.008 -12.555 -13.756 1.00 0.00 C ATOM 0 H ILE A 12 -8.664 -10.133 -15.965 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.605 -10.274 -16.129 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.278 -12.581 -15.114 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.924 -13.529 -15.653 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.396 -11.858 -15.678 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.644 -13.633 -17.250 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.764 -12.272 -17.495 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.029 -12.069 -17.835 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.000 -12.870 -13.485 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.195 -11.557 -13.361 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.731 -13.253 -13.335 1.00 0.00 H new ATOM 162 N ARG A 13 -10.342 -8.976 -13.840 1.00 0.00 N ATOM 163 CA ARG A 13 -10.365 -8.490 -12.465 1.00 0.00 C ATOM 164 C ARG A 13 -11.762 -8.619 -11.866 1.00 0.00 C ATOM 165 O ARG A 13 -12.762 -8.359 -12.535 1.00 0.00 O ATOM 166 CB ARG A 13 -9.907 -7.031 -12.410 1.00 0.00 C ATOM 167 CG ARG A 13 -10.813 -6.079 -13.173 1.00 0.00 C ATOM 168 CD ARG A 13 -10.426 -4.628 -12.932 1.00 0.00 C ATOM 169 NE ARG A 13 -11.354 -3.700 -13.572 1.00 0.00 N ATOM 170 CZ ARG A 13 -11.500 -2.433 -13.201 1.00 0.00 C ATOM 171 NH1 ARG A 13 -10.781 -1.946 -12.199 1.00 0.00 N ATOM 172 NH2 ARG A 13 -12.365 -1.651 -13.833 1.00 0.00 N ATOM 0 H ARG A 13 -9.981 -8.305 -14.518 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.679 -9.101 -11.878 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.856 -6.714 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.897 -6.961 -12.814 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.758 -6.299 -14.239 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.847 -6.236 -12.868 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.400 -4.433 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.419 -4.454 -13.312 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.921 -4.044 -14.347 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.114 -2.545 -11.712 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.895 -0.973 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.919 -2.022 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.476 -0.678 -13.547 1.00 0.00 H new ATOM 186 N GLY A 14 -11.823 -9.023 -10.601 1.00 0.00 N ATOM 187 CA GLY A 14 -13.102 -9.180 -9.933 1.00 0.00 C ATOM 188 C GLY A 14 -12.951 -9.498 -8.459 1.00 0.00 C ATOM 189 O GLY A 14 -13.337 -8.715 -7.590 1.00 0.00 O ATOM 0 H GLY A 14 -11.010 -9.244 -10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.682 -8.264 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.666 -9.977 -10.418 1.00 0.00 H new ATOM 193 N PRO A 15 -12.379 -10.673 -8.158 1.00 0.00 N ATOM 194 CA PRO A 15 -12.166 -11.120 -6.779 1.00 0.00 C ATOM 195 C PRO A 15 -11.095 -10.304 -6.064 1.00 0.00 C ATOM 196 O PRO A 15 -10.084 -9.931 -6.659 1.00 0.00 O ATOM 197 CB PRO A 15 -11.712 -12.572 -6.943 1.00 0.00 C ATOM 198 CG PRO A 15 -11.114 -12.631 -8.306 1.00 0.00 C ATOM 199 CD PRO A 15 -11.895 -11.655 -9.143 1.00 0.00 C ATOM 0 HA PRO A 15 -13.063 -11.006 -6.170 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.985 -12.848 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.551 -13.262 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.057 -12.365 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.179 -13.638 -8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.270 -11.187 -9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.720 -12.142 -9.664 1.00 0.00 H new ATOM 207 N SER A 16 -11.322 -10.030 -4.783 1.00 0.00 N ATOM 208 CA SER A 16 -10.378 -9.255 -3.987 1.00 0.00 C ATOM 209 C SER A 16 -9.044 -9.986 -3.863 1.00 0.00 C ATOM 210 O SER A 16 -8.992 -11.136 -3.424 1.00 0.00 O ATOM 211 CB SER A 16 -10.954 -8.981 -2.597 1.00 0.00 C ATOM 212 OG SER A 16 -12.007 -8.035 -2.659 1.00 0.00 O ATOM 0 H SER A 16 -12.152 -10.334 -4.274 1.00 0.00 H new ATOM 0 HA SER A 16 -10.207 -8.306 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.321 -9.911 -2.162 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.167 -8.611 -1.940 1.00 0.00 H new ATOM 0 HG SER A 16 -11.854 -7.332 -1.994 1.00 0.00 H new ATOM 218 N HIS A 17 -7.967 -9.311 -4.252 1.00 0.00 N ATOM 219 CA HIS A 17 -6.633 -9.895 -4.184 1.00 0.00 C ATOM 220 C HIS A 17 -5.822 -9.267 -3.055 1.00 0.00 C ATOM 221 O HIS A 17 -5.862 -8.054 -2.848 1.00 0.00 O ATOM 222 CB HIS A 17 -5.903 -9.710 -5.515 1.00 0.00 C ATOM 223 CG HIS A 17 -6.790 -9.874 -6.711 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.383 -8.812 -7.359 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.181 -10.985 -7.378 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.102 -9.262 -8.372 1.00 0.00 C ATOM 227 NE2 HIS A 17 -7.996 -10.579 -8.405 1.00 0.00 N ATOM 0 H HIS A 17 -7.992 -8.359 -4.618 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.740 -10.961 -3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.454 -8.717 -5.539 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.087 -10.430 -5.576 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.903 -12.002 -7.145 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.678 -8.657 -9.056 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.446 -11.194 -9.083 1.00 0.00 H new ATOM 236 N CYS A 18 -5.087 -10.100 -2.326 1.00 0.00 N ATOM 237 CA CYS A 18 -4.267 -9.628 -1.217 1.00 0.00 C ATOM 238 C CYS A 18 -3.599 -8.300 -1.561 1.00 0.00 C ATOM 239 O CYS A 18 -3.399 -7.980 -2.732 1.00 0.00 O ATOM 240 CB CYS A 18 -3.204 -10.669 -0.861 1.00 0.00 C ATOM 241 SG CYS A 18 -2.378 -10.373 0.736 1.00 0.00 S ATOM 0 H CYS A 18 -5.043 -11.107 -2.484 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.918 -9.475 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.669 -11.655 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.451 -10.688 -1.649 1.00 0.00 H new ATOM 246 N ALA A 19 -3.255 -7.532 -0.532 1.00 0.00 N ATOM 247 CA ALA A 19 -2.607 -6.241 -0.725 1.00 0.00 C ATOM 248 C ALA A 19 -1.103 -6.341 -0.493 1.00 0.00 C ATOM 249 O ALA A 19 -0.372 -5.368 -0.670 1.00 0.00 O ATOM 250 CB ALA A 19 -3.218 -5.200 0.201 1.00 0.00 C ATOM 0 H ALA A 19 -3.415 -7.782 0.444 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.769 -5.932 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.724 -4.241 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.282 -5.100 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.086 -5.513 1.237 1.00 0.00 H new ATOM 256 N GLY A 20 -0.648 -7.525 -0.093 1.00 0.00 N ATOM 257 CA GLY A 20 0.766 -7.729 0.158 1.00 0.00 C ATOM 258 C GLY A 20 1.424 -8.592 -0.900 1.00 0.00 C ATOM 259 O GLY A 20 2.491 -8.253 -1.413 1.00 0.00 O ATOM 0 H GLY A 20 -1.234 -8.346 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.268 -6.762 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.895 -8.195 1.135 1.00 0.00 H new ATOM 263 N CYS A 21 0.789 -9.712 -1.227 1.00 0.00 N ATOM 264 CA CYS A 21 1.319 -10.629 -2.229 1.00 0.00 C ATOM 265 C CYS A 21 0.526 -10.532 -3.529 1.00 0.00 C ATOM 266 O CYS A 21 0.935 -11.065 -4.561 1.00 0.00 O ATOM 267 CB CYS A 21 1.287 -12.066 -1.705 1.00 0.00 C ATOM 268 SG CYS A 21 -0.380 -12.664 -1.278 1.00 0.00 S ATOM 0 H CYS A 21 -0.095 -10.007 -0.812 1.00 0.00 H new ATOM 0 HA CYS A 21 2.352 -10.347 -2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.716 -12.726 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.923 -12.134 -0.822 1.00 0.00 H new ATOM 273 N LYS A 22 -0.612 -9.847 -3.472 1.00 0.00 N ATOM 274 CA LYS A 22 -1.463 -9.677 -4.643 1.00 0.00 C ATOM 275 C LYS A 22 -1.983 -11.023 -5.137 1.00 0.00 C ATOM 276 O LYS A 22 -2.010 -11.285 -6.339 1.00 0.00 O ATOM 277 CB LYS A 22 -0.691 -8.975 -5.763 1.00 0.00 C ATOM 278 CG LYS A 22 -0.336 -7.533 -5.445 1.00 0.00 C ATOM 279 CD LYS A 22 -1.520 -6.606 -5.663 1.00 0.00 C ATOM 280 CE LYS A 22 -1.543 -6.056 -7.081 1.00 0.00 C ATOM 281 NZ LYS A 22 -2.355 -6.909 -7.993 1.00 0.00 N ATOM 0 H LYS A 22 -0.966 -9.400 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.315 -9.061 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.225 -9.530 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.287 -9.001 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.001 -7.460 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.496 -7.215 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.447 -7.145 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.473 -5.781 -4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.949 -5.045 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.523 -5.987 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.095 -6.332 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.740 -7.315 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.798 -7.676 -7.448 1.00 0.00 H new ATOM 295 N GLU A 23 -2.397 -11.872 -4.202 1.00 0.00 N ATOM 296 CA GLU A 23 -2.917 -13.191 -4.544 1.00 0.00 C ATOM 297 C GLU A 23 -4.405 -13.290 -4.220 1.00 0.00 C ATOM 298 O GLU A 23 -4.848 -12.863 -3.154 1.00 0.00 O ATOM 299 CB GLU A 23 -2.147 -14.278 -3.791 1.00 0.00 C ATOM 300 CG GLU A 23 -0.759 -14.539 -4.350 1.00 0.00 C ATOM 301 CD GLU A 23 -0.778 -15.456 -5.557 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.191 -16.625 -5.406 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.381 -15.005 -6.652 1.00 0.00 O ATOM 0 H GLU A 23 -2.383 -11.670 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.785 -13.338 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.059 -13.990 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.721 -15.204 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.299 -13.590 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.136 -14.981 -3.573 1.00 0.00 H new ATOM 310 N GLU A 24 -5.171 -13.854 -5.149 1.00 0.00 N ATOM 311 CA GLU A 24 -6.609 -14.007 -4.963 1.00 0.00 C ATOM 312 C GLU A 24 -6.921 -14.595 -3.590 1.00 0.00 C ATOM 313 O GLU A 24 -6.438 -15.673 -3.241 1.00 0.00 O ATOM 314 CB GLU A 24 -7.195 -14.901 -6.058 1.00 0.00 C ATOM 315 CG GLU A 24 -8.697 -15.096 -5.946 1.00 0.00 C ATOM 316 CD GLU A 24 -9.299 -15.724 -7.188 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.355 -15.038 -8.231 1.00 0.00 O ATOM 318 OE2 GLU A 24 -9.714 -16.899 -7.119 1.00 0.00 O ATOM 0 H GLU A 24 -4.820 -14.212 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.065 -13.019 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.965 -14.467 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.707 -15.875 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.914 -15.726 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.172 -14.132 -5.764 1.00 0.00 H new ATOM 325 N ILE A 25 -7.729 -13.879 -2.816 1.00 0.00 N ATOM 326 CA ILE A 25 -8.106 -14.330 -1.482 1.00 0.00 C ATOM 327 C ILE A 25 -9.481 -14.989 -1.492 1.00 0.00 C ATOM 328 O ILE A 25 -10.497 -14.336 -1.252 1.00 0.00 O ATOM 329 CB ILE A 25 -8.115 -13.164 -0.476 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.760 -12.454 -0.472 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.458 -13.670 0.917 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.775 -11.126 0.251 1.00 0.00 C ATOM 0 H ILE A 25 -8.135 -12.984 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.359 -15.061 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.878 -12.447 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.020 -13.104 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.440 -12.294 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.461 -12.835 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.444 -14.135 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.716 -14.404 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.781 -10.680 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.491 -10.458 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.064 -11.281 1.290 1.00 0.00 H new ATOM 344 N LYS A 26 -9.506 -16.288 -1.771 1.00 0.00 N ATOM 345 CA LYS A 26 -10.756 -17.038 -1.809 1.00 0.00 C ATOM 346 C LYS A 26 -11.144 -17.520 -0.415 1.00 0.00 C ATOM 347 O LYS A 26 -12.206 -17.168 0.100 1.00 0.00 O ATOM 348 CB LYS A 26 -10.628 -18.234 -2.756 1.00 0.00 C ATOM 349 CG LYS A 26 -11.964 -18.788 -3.221 1.00 0.00 C ATOM 350 CD LYS A 26 -11.783 -19.873 -4.269 1.00 0.00 C ATOM 351 CE LYS A 26 -13.121 -20.350 -4.813 1.00 0.00 C ATOM 352 NZ LYS A 26 -13.671 -19.414 -5.832 1.00 0.00 N ATOM 0 H LYS A 26 -8.675 -16.843 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.538 -16.373 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.045 -17.936 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.071 -19.025 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.508 -19.192 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.570 -17.981 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.171 -19.492 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.245 -20.715 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.001 -21.339 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.831 -20.452 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.583 -19.774 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.809 -18.477 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.005 -19.336 -6.627 1.00 0.00 H new ATOM 366 N HIS A 27 -10.278 -18.326 0.190 1.00 0.00 N ATOM 367 CA HIS A 27 -10.530 -18.854 1.526 1.00 0.00 C ATOM 368 C HIS A 27 -10.921 -17.736 2.488 1.00 0.00 C ATOM 369 O HIS A 27 -10.491 -16.593 2.335 1.00 0.00 O ATOM 370 CB HIS A 27 -9.293 -19.584 2.051 1.00 0.00 C ATOM 371 CG HIS A 27 -9.612 -20.690 3.009 1.00 0.00 C ATOM 372 ND1 HIS A 27 -9.794 -20.487 4.360 1.00 0.00 N ATOM 373 CD2 HIS A 27 -9.783 -22.017 2.803 1.00 0.00 C ATOM 374 CE1 HIS A 27 -10.062 -21.641 4.945 1.00 0.00 C ATOM 375 NE2 HIS A 27 -10.062 -22.586 4.022 1.00 0.00 N ATOM 0 H HIS A 27 -9.396 -18.628 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.359 -19.559 1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.738 -19.994 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.639 -18.865 2.544 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.713 -22.532 1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.249 -21.787 5.999 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.240 -23.577 4.187 1.00 0.00 H new ATOM 384 N GLY A 28 -11.740 -18.073 3.479 1.00 0.00 N ATOM 385 CA GLY A 28 -12.176 -17.086 4.450 1.00 0.00 C ATOM 386 C GLY A 28 -11.113 -16.784 5.487 1.00 0.00 C ATOM 387 O GLY A 28 -11.398 -16.741 6.683 1.00 0.00 O ATOM 0 H GLY A 28 -12.110 -19.012 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.446 -16.166 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.075 -17.445 4.950 1.00 0.00 H new ATOM 391 N GLN A 29 -9.883 -16.576 5.028 1.00 0.00 N ATOM 392 CA GLN A 29 -8.773 -16.279 5.925 1.00 0.00 C ATOM 393 C GLN A 29 -8.126 -14.945 5.568 1.00 0.00 C ATOM 394 O GLN A 29 -6.929 -14.879 5.288 1.00 0.00 O ATOM 395 CB GLN A 29 -7.730 -17.396 5.868 1.00 0.00 C ATOM 396 CG GLN A 29 -8.033 -18.560 6.798 1.00 0.00 C ATOM 397 CD GLN A 29 -6.958 -19.628 6.767 1.00 0.00 C ATOM 398 OE1 GLN A 29 -6.573 -20.106 5.699 1.00 0.00 O ATOM 399 NE2 GLN A 29 -6.466 -20.008 7.940 1.00 0.00 N ATOM 0 H GLN A 29 -9.630 -16.608 4.040 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.167 -16.211 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.663 -17.767 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.754 -16.983 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.140 -18.187 7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.989 -19.004 6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.814 -19.585 8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.740 -20.723 7.981 1.00 0.00 H new ATOM 408 N SER A 30 -8.926 -13.883 5.580 1.00 0.00 N ATOM 409 CA SER A 30 -8.432 -12.551 5.253 1.00 0.00 C ATOM 410 C SER A 30 -8.323 -11.689 6.507 1.00 0.00 C ATOM 411 O SER A 30 -8.961 -11.967 7.524 1.00 0.00 O ATOM 412 CB SER A 30 -9.355 -11.877 4.236 1.00 0.00 C ATOM 413 OG SER A 30 -10.650 -11.677 4.776 1.00 0.00 O ATOM 0 H SER A 30 -9.918 -13.920 5.813 1.00 0.00 H new ATOM 0 HA SER A 30 -7.438 -12.656 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.931 -10.919 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.423 -12.492 3.338 1.00 0.00 H new ATOM 0 HG SER A 30 -11.220 -11.243 4.107 1.00 0.00 H new ATOM 419 N LEU A 31 -7.511 -10.640 6.428 1.00 0.00 N ATOM 420 CA LEU A 31 -7.318 -9.736 7.556 1.00 0.00 C ATOM 421 C LEU A 31 -7.687 -8.306 7.177 1.00 0.00 C ATOM 422 O LEU A 31 -7.011 -7.672 6.366 1.00 0.00 O ATOM 423 CB LEU A 31 -5.866 -9.790 8.035 1.00 0.00 C ATOM 424 CG LEU A 31 -5.619 -9.357 9.481 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.222 -9.757 9.927 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.819 -7.856 9.630 1.00 0.00 C ATOM 0 H LEU A 31 -6.976 -10.395 5.595 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.974 -10.059 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.503 -10.811 7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.265 -9.159 7.380 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.341 -9.865 10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.065 -9.441 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.114 -10.840 9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.484 -9.278 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.639 -7.566 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.121 -7.330 8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.840 -7.596 9.353 1.00 0.00 H new ATOM 438 N LEU A 32 -8.763 -7.801 7.771 1.00 0.00 N ATOM 439 CA LEU A 32 -9.222 -6.443 7.497 1.00 0.00 C ATOM 440 C LEU A 32 -8.227 -5.415 8.027 1.00 0.00 C ATOM 441 O LEU A 32 -7.907 -5.402 9.215 1.00 0.00 O ATOM 442 CB LEU A 32 -10.597 -6.212 8.127 1.00 0.00 C ATOM 443 CG LEU A 32 -11.802 -6.602 7.271 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.844 -5.770 5.999 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.762 -8.087 6.939 1.00 0.00 C ATOM 0 H LEU A 32 -9.334 -8.311 8.445 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.300 -6.322 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.645 -6.771 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.685 -5.156 8.382 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.709 -6.402 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.708 -6.061 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.921 -4.714 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.933 -5.938 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.627 -8.347 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.849 -8.312 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.781 -8.667 7.862 1.00 0.00 H new ATOM 457 N ALA A 33 -7.745 -4.554 7.138 1.00 0.00 N ATOM 458 CA ALA A 33 -6.790 -3.519 7.517 1.00 0.00 C ATOM 459 C ALA A 33 -6.591 -2.516 6.386 1.00 0.00 C ATOM 460 O ALA A 33 -6.363 -2.897 5.237 1.00 0.00 O ATOM 461 CB ALA A 33 -5.461 -4.146 7.910 1.00 0.00 C ATOM 0 H ALA A 33 -8.000 -4.552 6.150 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.194 -2.983 8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.758 -3.362 8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.611 -4.818 8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.060 -4.708 7.066 1.00 0.00 H new ATOM 467 N LEU A 34 -6.678 -1.233 6.717 1.00 0.00 N ATOM 468 CA LEU A 34 -6.507 -0.173 5.729 1.00 0.00 C ATOM 469 C LEU A 34 -7.509 -0.327 4.588 1.00 0.00 C ATOM 470 O LEU A 34 -7.163 -0.158 3.419 1.00 0.00 O ATOM 471 CB LEU A 34 -5.081 -0.190 5.176 1.00 0.00 C ATOM 472 CG LEU A 34 -3.983 0.261 6.140 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.627 -0.858 7.105 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.752 0.716 5.370 1.00 0.00 C ATOM 0 H LEU A 34 -6.866 -0.901 7.663 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.688 0.783 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.853 -1.203 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.047 0.449 4.293 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.358 1.105 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.844 -0.518 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.510 -1.137 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.272 -1.723 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.981 1.034 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.375 -0.109 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.017 1.550 4.720 1.00 0.00 H new ATOM 486 N ASP A 35 -8.750 -0.646 4.937 1.00 0.00 N ATOM 487 CA ASP A 35 -9.803 -0.819 3.942 1.00 0.00 C ATOM 488 C ASP A 35 -9.365 -1.790 2.850 1.00 0.00 C ATOM 489 O ASP A 35 -9.851 -1.731 1.721 1.00 0.00 O ATOM 490 CB ASP A 35 -10.176 0.530 3.324 1.00 0.00 C ATOM 491 CG ASP A 35 -11.555 0.516 2.694 1.00 0.00 C ATOM 492 OD1 ASP A 35 -12.535 0.819 3.406 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.653 0.203 1.489 1.00 0.00 O ATOM 0 H ASP A 35 -9.052 -0.790 5.901 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.678 -1.235 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.139 1.302 4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.437 0.797 2.568 1.00 0.00 H new ATOM 498 N LYS A 36 -8.443 -2.682 3.195 1.00 0.00 N ATOM 499 CA LYS A 36 -7.939 -3.667 2.245 1.00 0.00 C ATOM 500 C LYS A 36 -7.982 -5.070 2.842 1.00 0.00 C ATOM 501 O LYS A 36 -8.323 -5.246 4.011 1.00 0.00 O ATOM 502 CB LYS A 36 -6.506 -3.321 1.833 1.00 0.00 C ATOM 503 CG LYS A 36 -6.425 -2.436 0.601 1.00 0.00 C ATOM 504 CD LYS A 36 -5.101 -1.693 0.535 1.00 0.00 C ATOM 505 CE LYS A 36 -5.060 -0.536 1.521 1.00 0.00 C ATOM 506 NZ LYS A 36 -3.719 0.110 1.563 1.00 0.00 N ATOM 0 H LYS A 36 -8.029 -2.743 4.125 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.580 -3.646 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.009 -2.820 2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.958 -4.244 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.546 -3.045 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.246 -1.719 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.285 -2.383 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.944 -1.316 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.811 0.204 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.320 -0.897 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.732 0.894 2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.006 -0.589 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.481 0.478 0.620 1.00 0.00 H new ATOM 520 N GLN A 37 -7.634 -6.064 2.031 1.00 0.00 N ATOM 521 CA GLN A 37 -7.633 -7.451 2.480 1.00 0.00 C ATOM 522 C GLN A 37 -6.229 -8.043 2.419 1.00 0.00 C ATOM 523 O GLN A 37 -5.643 -8.165 1.343 1.00 0.00 O ATOM 524 CB GLN A 37 -8.589 -8.287 1.627 1.00 0.00 C ATOM 525 CG GLN A 37 -10.022 -8.281 2.135 1.00 0.00 C ATOM 526 CD GLN A 37 -10.979 -8.979 1.190 1.00 0.00 C ATOM 527 OE1 GLN A 37 -10.962 -10.204 1.063 1.00 0.00 O ATOM 528 NE2 GLN A 37 -11.822 -8.202 0.520 1.00 0.00 N ATOM 0 H GLN A 37 -7.349 -5.935 1.060 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.971 -7.470 3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.573 -7.911 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.228 -9.315 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.060 -8.768 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.348 -7.251 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.802 -7.191 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.490 -8.616 -0.130 1.00 0.00 H new ATOM 537 N TRP A 38 -5.694 -8.407 3.578 1.00 0.00 N ATOM 538 CA TRP A 38 -4.358 -8.985 3.656 1.00 0.00 C ATOM 539 C TRP A 38 -4.394 -10.353 4.329 1.00 0.00 C ATOM 540 O TRP A 38 -5.134 -10.562 5.291 1.00 0.00 O ATOM 541 CB TRP A 38 -3.419 -8.051 4.421 1.00 0.00 C ATOM 542 CG TRP A 38 -3.660 -6.600 4.133 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.809 -5.899 4.363 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.730 -5.675 3.559 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.649 -4.593 3.967 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.383 -4.430 3.471 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.410 -5.776 3.113 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.759 -3.298 2.954 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.792 -4.652 2.600 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.466 -3.426 2.524 1.00 0.00 C ATOM 0 H TRP A 38 -6.165 -8.312 4.478 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.985 -9.111 2.640 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.536 -8.226 5.490 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.388 -8.298 4.169 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.710 -6.310 4.793 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.358 -3.863 4.032 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.882 -6.716 3.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.277 -2.352 2.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.228 -4.719 2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.955 -2.565 2.118 1.00 0.00 H new ATOM 561 N HIS A 39 -3.592 -11.281 3.818 1.00 0.00 N ATOM 562 CA HIS A 39 -3.532 -12.629 4.372 1.00 0.00 C ATOM 563 C HIS A 39 -3.125 -12.595 5.842 1.00 0.00 C ATOM 564 O HIS A 39 -2.861 -11.530 6.399 1.00 0.00 O ATOM 565 CB HIS A 39 -2.547 -13.487 3.577 1.00 0.00 C ATOM 566 CG HIS A 39 -3.074 -13.929 2.247 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.313 -13.928 1.098 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.296 -14.389 1.888 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.044 -14.367 0.088 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.251 -14.654 0.541 1.00 0.00 N ATOM 0 H HIS A 39 -2.975 -11.125 3.021 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.526 -13.070 4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.627 -12.922 3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.287 -14.367 4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.147 -14.523 2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.711 -14.473 -0.934 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.024 -15.014 -0.019 1.00 0.00 H new ATOM 578 N VAL A 40 -3.077 -13.769 6.465 1.00 0.00 N ATOM 579 CA VAL A 40 -2.702 -13.874 7.870 1.00 0.00 C ATOM 580 C VAL A 40 -1.188 -13.824 8.040 1.00 0.00 C ATOM 581 O VAL A 40 -0.682 -13.660 9.150 1.00 0.00 O ATOM 582 CB VAL A 40 -3.235 -15.175 8.498 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.763 -15.306 9.938 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.754 -15.221 8.419 1.00 0.00 C ATOM 0 H VAL A 40 -3.293 -14.660 6.018 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.151 -13.022 8.381 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.839 -16.019 7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.150 -16.231 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.673 -15.322 9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.127 -14.459 10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.114 -16.147 8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.172 -14.371 8.958 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.066 -15.178 7.375 1.00 0.00 H new ATOM 594 N SER A 41 -0.468 -13.966 6.931 1.00 0.00 N ATOM 595 CA SER A 41 0.989 -13.940 6.957 1.00 0.00 C ATOM 596 C SER A 41 1.531 -12.881 6.002 1.00 0.00 C ATOM 597 O SER A 41 2.705 -12.906 5.629 1.00 0.00 O ATOM 598 CB SER A 41 1.551 -15.314 6.586 1.00 0.00 C ATOM 599 OG SER A 41 2.954 -15.360 6.779 1.00 0.00 O ATOM 0 H SER A 41 -0.871 -14.100 6.004 1.00 0.00 H new ATOM 0 HA SER A 41 1.305 -13.687 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.072 -16.082 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.316 -15.537 5.545 1.00 0.00 H new ATOM 0 HG SER A 41 3.355 -14.524 6.463 1.00 0.00 H new ATOM 605 N CYS A 42 0.668 -11.951 5.609 1.00 0.00 N ATOM 606 CA CYS A 42 1.057 -10.882 4.697 1.00 0.00 C ATOM 607 C CYS A 42 0.960 -9.521 5.380 1.00 0.00 C ATOM 608 O CYS A 42 1.729 -8.608 5.082 1.00 0.00 O ATOM 609 CB CYS A 42 0.173 -10.902 3.448 1.00 0.00 C ATOM 610 SG CYS A 42 0.578 -12.234 2.272 1.00 0.00 S ATOM 0 H CYS A 42 -0.307 -11.916 5.908 1.00 0.00 H new ATOM 0 HA CYS A 42 2.094 -11.048 4.404 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.868 -11.006 3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.261 -9.943 2.938 1.00 0.00 H new ATOM 615 N PHE A 43 0.008 -9.393 6.299 1.00 0.00 N ATOM 616 CA PHE A 43 -0.191 -8.144 7.025 1.00 0.00 C ATOM 617 C PHE A 43 0.909 -7.936 8.061 1.00 0.00 C ATOM 618 O PHE A 43 0.797 -8.384 9.203 1.00 0.00 O ATOM 619 CB PHE A 43 -1.560 -8.141 7.710 1.00 0.00 C ATOM 620 CG PHE A 43 -1.977 -6.787 8.209 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.914 -5.679 7.379 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.431 -6.622 9.507 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.297 -4.431 7.835 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.816 -5.377 9.968 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.748 -4.280 9.131 1.00 0.00 C ATOM 0 H PHE A 43 -0.638 -10.139 6.558 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.149 -7.325 6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.309 -8.508 7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.540 -8.838 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.562 -5.792 6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.485 -7.476 10.166 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.243 -3.575 7.178 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.170 -5.262 10.982 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.047 -3.306 9.490 1.00 0.00 H new ATOM 635 N LYS A 44 1.974 -7.254 7.655 1.00 0.00 N ATOM 636 CA LYS A 44 3.097 -6.984 8.546 1.00 0.00 C ATOM 637 C LYS A 44 3.642 -5.577 8.323 1.00 0.00 C ATOM 638 O LYS A 44 3.265 -4.898 7.367 1.00 0.00 O ATOM 639 CB LYS A 44 4.207 -8.014 8.327 1.00 0.00 C ATOM 640 CG LYS A 44 4.502 -8.288 6.863 1.00 0.00 C ATOM 641 CD LYS A 44 5.673 -9.243 6.699 1.00 0.00 C ATOM 642 CE LYS A 44 5.795 -9.735 5.265 1.00 0.00 C ATOM 643 NZ LYS A 44 5.932 -8.608 4.302 1.00 0.00 N ATOM 0 H LYS A 44 2.084 -6.877 6.713 1.00 0.00 H new ATOM 0 HA LYS A 44 2.740 -7.057 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.117 -7.663 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.926 -8.948 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.618 -8.710 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.722 -7.350 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.596 -8.743 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.546 -10.095 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.660 -10.393 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.917 -10.327 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.181 -8.981 3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.031 -8.092 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.680 -7.962 4.627 1.00 0.00 H new ATOM 657 N CYS A 45 4.533 -5.146 9.209 1.00 0.00 N ATOM 658 CA CYS A 45 5.133 -3.821 9.109 1.00 0.00 C ATOM 659 C CYS A 45 5.722 -3.594 7.720 1.00 0.00 C ATOM 660 O CYS A 45 5.862 -4.530 6.934 1.00 0.00 O ATOM 661 CB CYS A 45 6.220 -3.648 10.172 1.00 0.00 C ATOM 662 SG CYS A 45 6.762 -1.925 10.408 1.00 0.00 S ATOM 0 H CYS A 45 4.856 -5.696 10.005 1.00 0.00 H new ATOM 0 HA CYS A 45 4.350 -3.081 9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.849 -4.034 11.121 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.083 -4.254 9.896 1.00 0.00 H new ATOM 667 N GLN A 46 6.067 -2.344 7.427 1.00 0.00 N ATOM 668 CA GLN A 46 6.641 -1.994 6.133 1.00 0.00 C ATOM 669 C GLN A 46 8.124 -1.665 6.267 1.00 0.00 C ATOM 670 O GLN A 46 8.854 -1.622 5.276 1.00 0.00 O ATOM 671 CB GLN A 46 5.895 -0.805 5.525 1.00 0.00 C ATOM 672 CG GLN A 46 6.521 -0.287 4.240 1.00 0.00 C ATOM 673 CD GLN A 46 6.536 -1.328 3.137 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.589 -1.653 2.589 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.364 -1.857 2.807 1.00 0.00 N ATOM 0 H GLN A 46 5.959 -1.558 8.068 1.00 0.00 H new ATOM 0 HA GLN A 46 6.537 -2.855 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.864 -1.097 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.861 0.004 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.970 0.590 3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.542 0.037 4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.516 -1.558 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.312 -2.563 2.072 1.00 0.00 H new ATOM 684 N THR A 47 8.565 -1.432 7.499 1.00 0.00 N ATOM 685 CA THR A 47 9.961 -1.105 7.763 1.00 0.00 C ATOM 686 C THR A 47 10.732 -2.331 8.239 1.00 0.00 C ATOM 687 O THR A 47 11.888 -2.533 7.865 1.00 0.00 O ATOM 688 CB THR A 47 10.087 0.009 8.819 1.00 0.00 C ATOM 689 OG1 THR A 47 9.497 1.218 8.329 1.00 0.00 O ATOM 690 CG2 THR A 47 11.545 0.257 9.172 1.00 0.00 C ATOM 0 H THR A 47 7.975 -1.464 8.331 1.00 0.00 H new ATOM 0 HA THR A 47 10.387 -0.754 6.823 1.00 0.00 H new ATOM 0 HB THR A 47 9.561 -0.312 9.718 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.052 1.982 8.591 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.609 1.048 9.919 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.983 -0.657 9.573 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.090 0.559 8.277 1.00 0.00 H new ATOM 698 N CYS A 48 10.086 -3.147 9.064 1.00 0.00 N ATOM 699 CA CYS A 48 10.711 -4.354 9.592 1.00 0.00 C ATOM 700 C CYS A 48 10.065 -5.604 9.001 1.00 0.00 C ATOM 701 O CYS A 48 10.649 -6.687 9.022 1.00 0.00 O ATOM 702 CB CYS A 48 10.604 -4.384 11.117 1.00 0.00 C ATOM 703 SG CYS A 48 8.898 -4.518 11.741 1.00 0.00 S ATOM 0 H CYS A 48 9.129 -2.995 9.382 1.00 0.00 H new ATOM 0 HA CYS A 48 11.764 -4.342 9.309 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.185 -5.226 11.495 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.057 -3.478 11.520 1.00 0.00 H new ATOM 708 N SER A 49 8.855 -5.445 8.473 1.00 0.00 N ATOM 709 CA SER A 49 8.127 -6.560 7.880 1.00 0.00 C ATOM 710 C SER A 49 7.818 -7.626 8.927 1.00 0.00 C ATOM 711 O SER A 49 8.124 -8.804 8.741 1.00 0.00 O ATOM 712 CB SER A 49 8.937 -7.174 6.736 1.00 0.00 C ATOM 713 OG SER A 49 8.937 -6.327 5.600 1.00 0.00 O ATOM 0 H SER A 49 8.359 -4.554 8.444 1.00 0.00 H new ATOM 0 HA SER A 49 7.185 -6.178 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.962 -7.348 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.519 -8.145 6.470 1.00 0.00 H new ATOM 0 HG SER A 49 9.462 -6.741 4.884 1.00 0.00 H new ATOM 719 N VAL A 50 7.208 -7.203 10.030 1.00 0.00 N ATOM 720 CA VAL A 50 6.855 -8.120 11.107 1.00 0.00 C ATOM 721 C VAL A 50 5.354 -8.386 11.133 1.00 0.00 C ATOM 722 O VAL A 50 4.547 -7.466 10.991 1.00 0.00 O ATOM 723 CB VAL A 50 7.290 -7.569 12.478 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.496 -6.320 12.829 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.130 -8.631 13.554 1.00 0.00 C ATOM 0 H VAL A 50 6.948 -6.232 10.201 1.00 0.00 H new ATOM 0 HA VAL A 50 7.384 -9.053 10.913 1.00 0.00 H new ATOM 0 HB VAL A 50 8.344 -7.297 12.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.818 -5.946 13.801 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.667 -5.555 12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.434 -6.563 12.867 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.442 -8.224 14.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.085 -8.937 13.611 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.748 -9.495 13.308 1.00 0.00 H new ATOM 735 N ILE A 51 4.986 -9.650 11.314 1.00 0.00 N ATOM 736 CA ILE A 51 3.581 -10.037 11.360 1.00 0.00 C ATOM 737 C ILE A 51 2.829 -9.252 12.429 1.00 0.00 C ATOM 738 O ILE A 51 3.168 -9.310 13.612 1.00 0.00 O ATOM 739 CB ILE A 51 3.422 -11.544 11.638 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.095 -12.362 10.534 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.949 -11.908 11.751 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.419 -12.231 9.187 1.00 0.00 C ATOM 0 H ILE A 51 5.641 -10.423 11.431 1.00 0.00 H new ATOM 0 HA ILE A 51 3.158 -9.809 10.381 1.00 0.00 H new ATOM 0 HB ILE A 51 3.908 -11.778 12.585 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.134 -12.047 10.442 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.105 -13.412 10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.852 -12.976 11.947 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.497 -11.346 12.568 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.441 -11.663 10.818 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.950 -12.838 8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.387 -12.574 9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.433 -11.187 8.873 1.00 0.00 H new ATOM 754 N LEU A 52 1.805 -8.519 12.006 1.00 0.00 N ATOM 755 CA LEU A 52 1.002 -7.723 12.927 1.00 0.00 C ATOM 756 C LEU A 52 -0.379 -8.342 13.121 1.00 0.00 C ATOM 757 O LEU A 52 -1.257 -8.209 12.267 1.00 0.00 O ATOM 758 CB LEU A 52 0.863 -6.291 12.408 1.00 0.00 C ATOM 759 CG LEU A 52 2.171 -5.547 12.133 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.955 -4.453 11.100 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.733 -4.964 13.421 1.00 0.00 C ATOM 0 H LEU A 52 1.511 -8.460 11.031 1.00 0.00 H new ATOM 0 HA LEU A 52 1.511 -7.706 13.891 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.281 -6.315 11.487 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.287 -5.717 13.134 1.00 0.00 H new ATOM 0 HG LEU A 52 2.895 -6.258 11.733 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.896 -3.934 10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.598 -4.896 10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.216 -3.743 11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.663 -4.438 13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.013 -4.267 13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.926 -5.768 14.131 1.00 0.00 H new ATOM 773 N THR A 53 -0.566 -9.018 14.250 1.00 0.00 N ATOM 774 CA THR A 53 -1.840 -9.656 14.557 1.00 0.00 C ATOM 775 C THR A 53 -2.516 -8.990 15.750 1.00 0.00 C ATOM 776 O THR A 53 -3.729 -8.788 15.756 1.00 0.00 O ATOM 777 CB THR A 53 -1.659 -11.156 14.855 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.671 -11.338 15.874 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.246 -11.911 13.600 1.00 0.00 C ATOM 0 H THR A 53 0.149 -9.138 14.967 1.00 0.00 H new ATOM 0 HA THR A 53 -2.471 -9.542 13.676 1.00 0.00 H new ATOM 0 HB THR A 53 -2.614 -11.552 15.201 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.564 -12.294 16.058 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.124 -12.968 13.835 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.015 -11.795 12.836 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.303 -11.511 13.229 1.00 0.00 H new ATOM 787 N GLY A 54 -1.721 -8.651 16.761 1.00 0.00 N ATOM 788 CA GLY A 54 -2.261 -8.011 17.946 1.00 0.00 C ATOM 789 C GLY A 54 -2.499 -6.527 17.746 1.00 0.00 C ATOM 790 O GLY A 54 -3.594 -6.114 17.365 1.00 0.00 O ATOM 0 H GLY A 54 -0.713 -8.808 16.780 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.200 -8.493 18.220 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.573 -8.157 18.779 1.00 0.00 H new ATOM 794 N GLU A 55 -1.472 -5.724 18.006 1.00 0.00 N ATOM 795 CA GLU A 55 -1.577 -4.278 17.854 1.00 0.00 C ATOM 796 C GLU A 55 -0.712 -3.788 16.696 1.00 0.00 C ATOM 797 O GLU A 55 0.241 -4.455 16.293 1.00 0.00 O ATOM 798 CB GLU A 55 -1.162 -3.575 19.148 1.00 0.00 C ATOM 799 CG GLU A 55 0.219 -3.974 19.641 1.00 0.00 C ATOM 800 CD GLU A 55 0.194 -5.222 20.501 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.730 -5.350 21.333 1.00 0.00 O ATOM 802 OE2 GLU A 55 1.096 -6.071 20.344 1.00 0.00 O ATOM 0 H GLU A 55 -0.559 -6.050 18.323 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.617 -4.036 17.635 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.185 -2.497 18.989 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.894 -3.798 19.924 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.872 -4.141 18.784 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.648 -3.152 20.213 1.00 0.00 H new ATOM 809 N TYR A 56 -1.051 -2.618 16.166 1.00 0.00 N ATOM 810 CA TYR A 56 -0.308 -2.040 15.053 1.00 0.00 C ATOM 811 C TYR A 56 -0.775 -0.615 14.768 1.00 0.00 C ATOM 812 O TYR A 56 -1.862 -0.212 15.182 1.00 0.00 O ATOM 813 CB TYR A 56 -0.471 -2.902 13.800 1.00 0.00 C ATOM 814 CG TYR A 56 -1.766 -2.654 13.059 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.911 -3.380 13.361 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.843 -1.696 12.057 1.00 0.00 C ATOM 817 CE1 TYR A 56 -4.096 -3.158 12.686 1.00 0.00 C ATOM 818 CE2 TYR A 56 -3.024 -1.466 11.378 1.00 0.00 C ATOM 819 CZ TYR A 56 -4.148 -2.200 11.696 1.00 0.00 C ATOM 820 OH TYR A 56 -5.326 -1.975 11.021 1.00 0.00 O ATOM 0 H TYR A 56 -1.835 -2.052 16.489 1.00 0.00 H new ATOM 0 HA TYR A 56 0.746 -2.010 15.330 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.365 -2.712 13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.420 -3.953 14.083 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.874 -4.131 14.137 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.965 -1.121 11.804 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.977 -3.732 12.933 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.067 -0.716 10.602 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.192 -1.267 10.357 1.00 0.00 H new ATOM 830 N ILE A 57 0.056 0.141 14.058 1.00 0.00 N ATOM 831 CA ILE A 57 -0.272 1.520 13.716 1.00 0.00 C ATOM 832 C ILE A 57 -0.207 1.742 12.209 1.00 0.00 C ATOM 833 O ILE A 57 0.729 1.296 11.545 1.00 0.00 O ATOM 834 CB ILE A 57 0.677 2.513 14.411 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.961 2.063 15.846 1.00 0.00 C ATOM 836 CG2 ILE A 57 0.082 3.913 14.398 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.228 2.651 16.425 1.00 0.00 C ATOM 0 H ILE A 57 0.960 -0.177 13.709 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.289 1.698 14.064 1.00 0.00 H new ATOM 0 HB ILE A 57 1.619 2.535 13.864 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.119 2.342 16.479 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.031 0.976 15.870 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.765 4.603 14.893 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.073 4.233 13.368 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.873 3.907 14.924 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.365 2.288 17.444 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.080 2.351 15.815 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.153 3.738 16.434 1.00 0.00 H new ATOM 849 N SER A 58 -1.207 2.437 11.675 1.00 0.00 N ATOM 850 CA SER A 58 -1.265 2.718 10.245 1.00 0.00 C ATOM 851 C SER A 58 -0.862 4.161 9.958 1.00 0.00 C ATOM 852 O SER A 58 -1.360 5.094 10.589 1.00 0.00 O ATOM 853 CB SER A 58 -2.672 2.452 9.708 1.00 0.00 C ATOM 854 OG SER A 58 -3.568 3.480 10.096 1.00 0.00 O ATOM 0 H SER A 58 -1.988 2.816 12.211 1.00 0.00 H new ATOM 0 HA SER A 58 -0.561 2.056 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.643 2.382 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.031 1.492 10.080 1.00 0.00 H new ATOM 0 HG SER A 58 -4.460 3.288 9.739 1.00 0.00 H new ATOM 860 N LYS A 59 0.043 4.337 9.001 1.00 0.00 N ATOM 861 CA LYS A 59 0.514 5.665 8.628 1.00 0.00 C ATOM 862 C LYS A 59 0.441 5.863 7.117 1.00 0.00 C ATOM 863 O LYS A 59 0.842 4.990 6.347 1.00 0.00 O ATOM 864 CB LYS A 59 1.950 5.875 9.112 1.00 0.00 C ATOM 865 CG LYS A 59 2.274 7.321 9.445 1.00 0.00 C ATOM 866 CD LYS A 59 2.563 8.131 8.192 1.00 0.00 C ATOM 867 CE LYS A 59 2.296 9.612 8.412 1.00 0.00 C ATOM 868 NZ LYS A 59 2.728 10.433 7.247 1.00 0.00 N ATOM 0 H LYS A 59 0.465 3.576 8.469 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.134 6.400 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.120 5.260 9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.639 5.525 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.438 7.767 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.137 7.358 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.602 7.988 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.945 7.767 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.232 9.766 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.821 9.947 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.884 11.415 7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.612 10.047 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.990 10.412 6.515 1.00 0.00 H new ATOM 882 N ASP A 60 -0.070 7.016 6.699 1.00 0.00 N ATOM 883 CA ASP A 60 -0.192 7.329 5.280 1.00 0.00 C ATOM 884 C ASP A 60 -0.637 6.103 4.489 1.00 0.00 C ATOM 885 O ASP A 60 -0.255 5.925 3.334 1.00 0.00 O ATOM 886 CB ASP A 60 1.139 7.848 4.735 1.00 0.00 C ATOM 887 CG ASP A 60 0.992 8.500 3.374 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.291 9.529 3.281 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.578 7.980 2.400 1.00 0.00 O ATOM 0 H ASP A 60 -0.406 7.749 7.323 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.949 8.105 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.559 8.569 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.846 7.022 4.664 1.00 0.00 H new ATOM 894 N GLY A 61 -1.446 5.258 5.122 1.00 0.00 N ATOM 895 CA GLY A 61 -1.928 4.059 4.463 1.00 0.00 C ATOM 896 C GLY A 61 -0.892 2.952 4.442 1.00 0.00 C ATOM 897 O GLY A 61 -0.787 2.208 3.467 1.00 0.00 O ATOM 0 H GLY A 61 -1.776 5.383 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.824 3.704 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.217 4.301 3.440 1.00 0.00 H new ATOM 901 N VAL A 62 -0.122 2.844 5.520 1.00 0.00 N ATOM 902 CA VAL A 62 0.912 1.821 5.622 1.00 0.00 C ATOM 903 C VAL A 62 1.002 1.269 7.040 1.00 0.00 C ATOM 904 O VAL A 62 1.145 2.010 8.013 1.00 0.00 O ATOM 905 CB VAL A 62 2.290 2.372 5.209 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.320 1.254 5.161 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.199 3.082 3.866 1.00 0.00 C ATOM 0 H VAL A 62 -0.195 3.453 6.335 1.00 0.00 H new ATOM 0 HA VAL A 62 0.631 1.018 4.940 1.00 0.00 H new ATOM 0 HB VAL A 62 2.611 3.097 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.287 1.663 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.404 0.794 6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.008 0.503 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.181 3.465 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.856 2.380 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.494 3.910 3.939 1.00 0.00 H new ATOM 917 N PRO A 63 0.916 -0.064 7.163 1.00 0.00 N ATOM 918 CA PRO A 63 0.986 -0.745 8.459 1.00 0.00 C ATOM 919 C PRO A 63 2.380 -0.680 9.073 1.00 0.00 C ATOM 920 O PRO A 63 3.375 -0.972 8.411 1.00 0.00 O ATOM 921 CB PRO A 63 0.618 -2.192 8.119 1.00 0.00 C ATOM 922 CG PRO A 63 0.985 -2.348 6.684 1.00 0.00 C ATOM 923 CD PRO A 63 0.744 -1.008 6.046 1.00 0.00 C ATOM 0 HA PRO A 63 0.329 -0.286 9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.163 -2.897 8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.444 -2.379 8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.027 -2.648 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.381 -3.121 6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.453 -0.812 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.255 -0.942 5.614 1.00 0.00 H new ATOM 931 N TYR A 64 2.444 -0.295 10.343 1.00 0.00 N ATOM 932 CA TYR A 64 3.717 -0.190 11.047 1.00 0.00 C ATOM 933 C TYR A 64 3.594 -0.710 12.476 1.00 0.00 C ATOM 934 O TYR A 64 2.518 -0.671 13.073 1.00 0.00 O ATOM 935 CB TYR A 64 4.198 1.262 11.060 1.00 0.00 C ATOM 936 CG TYR A 64 4.623 1.771 9.701 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.746 1.258 9.065 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.900 2.765 9.053 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.138 1.721 7.824 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.283 3.233 7.811 1.00 0.00 C ATOM 941 CZ TYR A 64 5.404 2.709 7.201 1.00 0.00 C ATOM 942 OH TYR A 64 5.790 3.172 5.964 1.00 0.00 O ATOM 0 H TYR A 64 1.629 -0.050 10.906 1.00 0.00 H new ATOM 0 HA TYR A 64 4.447 -0.803 10.519 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.399 1.897 11.443 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.036 1.352 11.751 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.323 0.484 9.549 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.023 3.179 9.529 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.015 1.312 7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.708 4.005 7.320 1.00 0.00 H new ATOM 0 HH TYR A 64 5.166 3.866 5.665 1.00 0.00 H new ATOM 952 N CYS A 65 4.705 -1.196 13.019 1.00 0.00 N ATOM 953 CA CYS A 65 4.725 -1.724 14.378 1.00 0.00 C ATOM 954 C CYS A 65 5.011 -0.616 15.387 1.00 0.00 C ATOM 955 O CYS A 65 5.375 0.498 15.014 1.00 0.00 O ATOM 956 CB CYS A 65 5.777 -2.828 14.503 1.00 0.00 C ATOM 957 SG CYS A 65 7.473 -2.286 14.114 1.00 0.00 S ATOM 0 H CYS A 65 5.604 -1.235 12.538 1.00 0.00 H new ATOM 0 HA CYS A 65 3.742 -2.143 14.594 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.757 -3.221 15.519 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.508 -3.649 13.838 1.00 0.00 H new ATOM 962 N GLU A 66 4.844 -0.932 16.668 1.00 0.00 N ATOM 963 CA GLU A 66 5.084 0.036 17.731 1.00 0.00 C ATOM 964 C GLU A 66 6.572 0.356 17.851 1.00 0.00 C ATOM 965 O GLU A 66 6.969 1.236 18.613 1.00 0.00 O ATOM 966 CB GLU A 66 4.556 -0.496 19.065 1.00 0.00 C ATOM 967 CG GLU A 66 3.099 -0.923 19.016 1.00 0.00 C ATOM 968 CD GLU A 66 2.395 -0.748 20.348 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.773 -1.442 21.315 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.466 0.084 20.423 1.00 0.00 O ATOM 0 H GLU A 66 4.544 -1.851 16.994 1.00 0.00 H new ATOM 0 HA GLU A 66 4.552 0.953 17.478 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.165 -1.346 19.374 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.675 0.275 19.826 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.579 -0.341 18.255 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.041 -1.968 18.713 1.00 0.00 H new ATOM 977 N SER A 67 7.389 -0.368 17.092 1.00 0.00 N ATOM 978 CA SER A 67 8.833 -0.166 17.115 1.00 0.00 C ATOM 979 C SER A 67 9.253 0.874 16.080 1.00 0.00 C ATOM 980 O SER A 67 9.634 1.992 16.426 1.00 0.00 O ATOM 981 CB SER A 67 9.558 -1.487 16.852 1.00 0.00 C ATOM 982 OG SER A 67 10.964 -1.305 16.850 1.00 0.00 O ATOM 0 H SER A 67 7.075 -1.099 16.454 1.00 0.00 H new ATOM 0 HA SER A 67 9.108 0.200 18.104 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.283 -2.215 17.616 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.240 -1.896 15.893 1.00 0.00 H new ATOM 0 HG SER A 67 11.405 -2.164 16.682 1.00 0.00 H new ATOM 988 N ASP A 68 9.180 0.496 14.809 1.00 0.00 N ATOM 989 CA ASP A 68 9.551 1.394 13.722 1.00 0.00 C ATOM 990 C ASP A 68 8.737 2.683 13.780 1.00 0.00 C ATOM 991 O ASP A 68 9.295 3.778 13.862 1.00 0.00 O ATOM 992 CB ASP A 68 9.346 0.707 12.371 1.00 0.00 C ATOM 993 CG ASP A 68 10.335 -0.418 12.137 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.504 -0.274 12.551 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.941 -1.441 11.538 1.00 0.00 O ATOM 0 H ASP A 68 8.867 -0.426 14.506 1.00 0.00 H new ATOM 0 HA ASP A 68 10.605 1.646 13.836 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.332 0.312 12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.443 1.444 11.574 1.00 0.00 H new ATOM 1000 N TYR A 69 7.417 2.545 13.735 1.00 0.00 N ATOM 1001 CA TYR A 69 6.526 3.699 13.779 1.00 0.00 C ATOM 1002 C TYR A 69 6.983 4.700 14.836 1.00 0.00 C ATOM 1003 O TYR A 69 7.231 5.868 14.535 1.00 0.00 O ATOM 1004 CB TYR A 69 5.093 3.252 14.070 1.00 0.00 C ATOM 1005 CG TYR A 69 4.085 4.378 14.020 1.00 0.00 C ATOM 1006 CD1 TYR A 69 4.049 5.348 15.014 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.171 4.472 12.978 1.00 0.00 C ATOM 1008 CE1 TYR A 69 3.129 6.379 14.972 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.249 5.500 12.928 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.232 6.450 13.927 1.00 0.00 C ATOM 1011 OH TYR A 69 1.316 7.476 13.882 1.00 0.00 O ATOM 0 H TYR A 69 6.940 1.646 13.668 1.00 0.00 H new ATOM 0 HA TYR A 69 6.557 4.187 12.805 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.806 2.487 13.348 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.059 2.789 15.056 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.751 5.296 15.833 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.181 3.729 12.194 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.113 7.125 15.753 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.545 5.559 12.111 1.00 0.00 H new ATOM 0 HH TYR A 69 0.758 7.382 13.082 1.00 0.00 H new ATOM 1021 N HIS A 70 7.094 4.233 16.075 1.00 0.00 N ATOM 1022 CA HIS A 70 7.522 5.086 17.179 1.00 0.00 C ATOM 1023 C HIS A 70 8.928 5.625 16.934 1.00 0.00 C ATOM 1024 O HIS A 70 9.325 6.635 17.514 1.00 0.00 O ATOM 1025 CB HIS A 70 7.483 4.310 18.496 1.00 0.00 C ATOM 1026 CG HIS A 70 6.152 4.363 19.182 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.823 5.325 20.113 1.00 0.00 N ATOM 1028 CD2 HIS A 70 5.065 3.565 19.067 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.591 5.117 20.542 1.00 0.00 C ATOM 1030 NE2 HIS A 70 4.109 4.054 19.923 1.00 0.00 N ATOM 0 H HIS A 70 6.894 3.269 16.340 1.00 0.00 H new ATOM 0 HA HIS A 70 6.834 5.929 17.243 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.742 3.269 18.303 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.244 4.709 19.166 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.968 2.704 18.422 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.067 5.714 21.274 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.178 3.660 20.059 1.00 0.00 H new ATOM 1039 N ALA A 71 9.676 4.944 16.072 1.00 0.00 N ATOM 1040 CA ALA A 71 11.037 5.355 15.750 1.00 0.00 C ATOM 1041 C ALA A 71 11.065 6.232 14.503 1.00 0.00 C ATOM 1042 O ALA A 71 12.031 6.955 14.263 1.00 0.00 O ATOM 1043 CB ALA A 71 11.926 4.135 15.560 1.00 0.00 C ATOM 0 H ALA A 71 9.362 4.105 15.584 1.00 0.00 H new ATOM 0 HA ALA A 71 11.420 5.943 16.584 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.939 4.457 15.320 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.940 3.548 16.478 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.537 3.525 14.745 1.00 0.00 H new ATOM 1049 N GLN A 72 9.999 6.161 13.711 1.00 0.00 N ATOM 1050 CA GLN A 72 9.904 6.948 12.488 1.00 0.00 C ATOM 1051 C GLN A 72 9.224 8.287 12.753 1.00 0.00 C ATOM 1052 O GLN A 72 9.833 9.346 12.599 1.00 0.00 O ATOM 1053 CB GLN A 72 9.132 6.174 11.418 1.00 0.00 C ATOM 1054 CG GLN A 72 10.023 5.358 10.495 1.00 0.00 C ATOM 1055 CD GLN A 72 9.242 4.365 9.657 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.193 4.473 8.432 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.626 3.390 10.315 1.00 0.00 N ATOM 0 H GLN A 72 9.190 5.567 13.895 1.00 0.00 H new ATOM 0 HA GLN A 72 10.915 7.140 12.130 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.421 5.507 11.906 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.551 6.877 10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.571 6.032 9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.763 4.823 11.090 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.694 3.339 11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.085 2.692 9.804 1.00 0.00 H new ATOM 1066 N PHE A 73 7.957 8.233 13.153 1.00 0.00 N ATOM 1067 CA PHE A 73 7.194 9.442 13.438 1.00 0.00 C ATOM 1068 C PHE A 73 7.130 9.703 14.940 1.00 0.00 C ATOM 1069 O PHE A 73 6.865 10.822 15.377 1.00 0.00 O ATOM 1070 CB PHE A 73 5.778 9.324 12.869 1.00 0.00 C ATOM 1071 CG PHE A 73 5.732 8.698 11.505 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.774 7.321 11.357 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.645 9.487 10.369 1.00 0.00 C ATOM 1074 CE1 PHE A 73 5.732 6.743 10.102 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.602 8.915 9.111 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.644 7.541 8.978 1.00 0.00 C ATOM 0 H PHE A 73 7.438 7.365 13.287 1.00 0.00 H new ATOM 0 HA PHE A 73 7.700 10.282 12.962 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.168 8.733 13.552 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.331 10.317 12.820 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.840 6.692 12.232 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.610 10.562 10.468 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.768 5.668 10.000 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.536 9.542 8.234 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.608 7.091 7.997 1.00 0.00 H new ATOM 1086 N GLY A 74 7.374 8.659 15.727 1.00 0.00 N ATOM 1087 CA GLY A 74 7.339 8.795 17.172 1.00 0.00 C ATOM 1088 C GLY A 74 8.467 9.658 17.701 1.00 0.00 C ATOM 1089 O GLY A 74 8.234 10.601 18.457 1.00 0.00 O ATOM 0 H GLY A 74 7.595 7.722 15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.384 9.228 17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.397 7.807 17.628 1.00 0.00 H new ATOM 1093 N SER A 75 9.694 9.335 17.304 1.00 0.00 N ATOM 1094 CA SER A 75 10.863 10.085 17.747 1.00 0.00 C ATOM 1095 C SER A 75 11.162 11.239 16.795 1.00 0.00 C ATOM 1096 O SER A 75 11.029 11.105 15.579 1.00 0.00 O ATOM 1097 CB SER A 75 12.080 9.162 17.847 1.00 0.00 C ATOM 1098 OG SER A 75 11.851 8.116 18.775 1.00 0.00 O ATOM 0 H SER A 75 9.904 8.559 16.676 1.00 0.00 H new ATOM 0 HA SER A 75 10.647 10.497 18.733 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.302 8.741 16.867 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.954 9.738 18.152 1.00 0.00 H new ATOM 0 HG SER A 75 11.101 7.565 18.469 1.00 0.00 H new ATOM 1104 N GLY A 76 11.568 12.373 17.357 1.00 0.00 N ATOM 1105 CA GLY A 76 11.879 13.534 16.545 1.00 0.00 C ATOM 1106 C GLY A 76 11.772 14.831 17.322 1.00 0.00 C ATOM 1107 O GLY A 76 12.023 14.881 18.526 1.00 0.00 O ATOM 0 H GLY A 76 11.687 12.508 18.361 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.889 13.435 16.147 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.202 13.568 15.692 1.00 0.00 H new ATOM 1111 N PRO A 77 11.393 15.913 16.626 1.00 0.00 N ATOM 1112 CA PRO A 77 11.246 17.237 17.238 1.00 0.00 C ATOM 1113 C PRO A 77 10.053 17.308 18.186 1.00 0.00 C ATOM 1114 O PRO A 77 9.416 16.295 18.474 1.00 0.00 O ATOM 1115 CB PRO A 77 11.029 18.161 16.037 1.00 0.00 C ATOM 1116 CG PRO A 77 10.457 17.281 14.980 1.00 0.00 C ATOM 1117 CD PRO A 77 11.078 15.927 15.188 1.00 0.00 C ATOM 0 HA PRO A 77 12.110 17.502 17.847 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.350 18.977 16.283 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.966 18.613 15.711 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.371 17.229 15.061 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.685 17.666 13.986 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.391 15.124 14.919 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.973 15.798 14.579 1.00 0.00 H new ATOM 1125 N SER A 78 9.757 18.511 18.668 1.00 0.00 N ATOM 1126 CA SER A 78 8.643 18.713 19.587 1.00 0.00 C ATOM 1127 C SER A 78 7.324 18.818 18.827 1.00 0.00 C ATOM 1128 O SER A 78 6.302 18.284 19.258 1.00 0.00 O ATOM 1129 CB SER A 78 8.865 19.975 20.422 1.00 0.00 C ATOM 1130 OG SER A 78 8.254 19.859 21.695 1.00 0.00 O ATOM 0 H SER A 78 10.273 19.360 18.437 1.00 0.00 H new ATOM 0 HA SER A 78 8.592 17.851 20.252 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.934 20.151 20.543 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.457 20.839 19.897 1.00 0.00 H new ATOM 0 HG SER A 78 8.412 20.678 22.210 1.00 0.00 H new ATOM 1136 N SER A 79 7.356 19.510 17.692 1.00 0.00 N ATOM 1137 CA SER A 79 6.163 19.689 16.873 1.00 0.00 C ATOM 1138 C SER A 79 5.195 20.668 17.529 1.00 0.00 C ATOM 1139 O SER A 79 3.985 20.448 17.542 1.00 0.00 O ATOM 1140 CB SER A 79 5.469 18.345 16.643 1.00 0.00 C ATOM 1141 OG SER A 79 4.596 18.405 15.529 1.00 0.00 O ATOM 0 H SER A 79 8.195 19.955 17.319 1.00 0.00 H new ATOM 0 HA SER A 79 6.472 20.099 15.912 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.217 17.569 16.481 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.907 18.065 17.534 1.00 0.00 H new ATOM 0 HG SER A 79 3.960 19.141 15.651 1.00 0.00 H new ATOM 1147 N GLY A 80 5.738 21.752 18.075 1.00 0.00 N ATOM 1148 CA GLY A 80 4.910 22.750 18.727 1.00 0.00 C ATOM 1149 C GLY A 80 5.230 24.158 18.268 1.00 0.00 C ATOM 1150 O GLY A 80 4.568 25.097 18.709 1.00 0.00 O ATOM 0 H GLY A 80 6.737 21.957 18.077 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.861 22.535 18.525 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.047 22.683 19.806 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -1.087 -12.397 0.864 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.359 -2.279 12.154 1.00 0.00 ZN