USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -59:sc= 1.05 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.00129 USER MOD Set 2.2: A 33 THR OG1 : rot 92:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -0.0721 (180deg=-0.314) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0.00498 K(o=0.005,f=-1.8!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.601 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -4.05 K(o=-4,f=-8.6!) USER MOD Single : A 39 HIS : no HD1:sc= -3.83 K(o=-3.8,f=-10!) USER MOD Single : A 41 SER OG : rot -94:sc= -3.99! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot -166:sc= 0.00238 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.057 -19.262 24.028 1.00 0.00 N ATOM 2 CA GLY A 1 -0.004 -20.221 23.741 1.00 0.00 C ATOM 3 C GLY A 1 0.626 -19.951 22.373 1.00 0.00 C ATOM 4 O GLY A 1 -0.078 -19.869 21.368 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.468 -19.467 24.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.660 -18.301 24.028 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.797 -19.331 23.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.762 -20.168 24.515 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.411 -21.232 23.765 1.00 0.00 H new ATOM 8 N SER A 2 1.944 -19.820 22.379 1.00 0.00 N ATOM 9 CA SER A 2 2.676 -19.562 21.151 1.00 0.00 C ATOM 10 C SER A 2 2.842 -20.859 20.357 1.00 0.00 C ATOM 11 O SER A 2 3.226 -21.887 20.914 1.00 0.00 O ATOM 12 CB SER A 2 4.043 -18.940 21.444 1.00 0.00 C ATOM 13 OG SER A 2 3.982 -17.518 21.498 1.00 0.00 O ATOM 0 H SER A 2 2.524 -19.888 23.215 1.00 0.00 H new ATOM 0 HA SER A 2 2.104 -18.851 20.556 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.420 -19.323 22.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.752 -19.243 20.674 1.00 0.00 H new ATOM 0 HG SER A 2 4.874 -17.159 21.689 1.00 0.00 H new ATOM 19 N SER A 3 2.544 -20.770 19.069 1.00 0.00 N ATOM 20 CA SER A 3 2.656 -21.925 18.194 1.00 0.00 C ATOM 21 C SER A 3 1.624 -22.983 18.590 1.00 0.00 C ATOM 22 O SER A 3 1.862 -23.778 19.498 1.00 0.00 O ATOM 23 CB SER A 3 4.066 -22.515 18.238 1.00 0.00 C ATOM 24 OG SER A 3 5.065 -21.534 17.973 1.00 0.00 O ATOM 0 H SER A 3 2.225 -19.916 18.610 1.00 0.00 H new ATOM 0 HA SER A 3 2.460 -21.600 17.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.243 -22.957 19.218 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.145 -23.319 17.507 1.00 0.00 H new ATOM 0 HG SER A 3 5.951 -21.951 18.012 1.00 0.00 H new ATOM 30 N GLY A 4 0.500 -22.960 17.888 1.00 0.00 N ATOM 31 CA GLY A 4 -0.568 -23.908 18.155 1.00 0.00 C ATOM 32 C GLY A 4 -0.968 -24.655 16.882 1.00 0.00 C ATOM 33 O GLY A 4 -0.229 -25.513 16.403 1.00 0.00 O ATOM 0 H GLY A 4 0.306 -22.300 17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.245 -24.621 18.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.433 -23.382 18.560 1.00 0.00 H new ATOM 37 N SER A 5 -2.138 -24.302 16.369 1.00 0.00 N ATOM 38 CA SER A 5 -2.646 -24.929 15.161 1.00 0.00 C ATOM 39 C SER A 5 -1.936 -24.352 13.934 1.00 0.00 C ATOM 40 O SER A 5 -1.421 -23.236 13.979 1.00 0.00 O ATOM 41 CB SER A 5 -4.159 -24.739 15.036 1.00 0.00 C ATOM 42 OG SER A 5 -4.873 -25.937 15.329 1.00 0.00 O ATOM 0 H SER A 5 -2.749 -23.589 16.768 1.00 0.00 H new ATOM 0 HA SER A 5 -2.445 -25.999 15.220 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.482 -23.949 15.714 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.401 -24.411 14.025 1.00 0.00 H new ATOM 0 HG SER A 5 -5.835 -25.774 15.240 1.00 0.00 H new ATOM 48 N SER A 6 -1.931 -25.138 12.868 1.00 0.00 N ATOM 49 CA SER A 6 -1.293 -24.720 11.632 1.00 0.00 C ATOM 50 C SER A 6 -1.874 -23.382 11.170 1.00 0.00 C ATOM 51 O SER A 6 -3.058 -23.113 11.369 1.00 0.00 O ATOM 52 CB SER A 6 -1.462 -25.777 10.539 1.00 0.00 C ATOM 53 OG SER A 6 -2.832 -25.985 10.205 1.00 0.00 O ATOM 0 H SER A 6 -2.359 -26.063 12.835 1.00 0.00 H new ATOM 0 HA SER A 6 -0.226 -24.600 11.822 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.914 -25.468 9.648 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.023 -26.717 10.873 1.00 0.00 H new ATOM 0 HG SER A 6 -2.898 -26.665 9.503 1.00 0.00 H new ATOM 59 N GLY A 7 -1.014 -22.578 10.562 1.00 0.00 N ATOM 60 CA GLY A 7 -1.427 -21.275 10.070 1.00 0.00 C ATOM 61 C GLY A 7 -0.224 -20.470 9.572 1.00 0.00 C ATOM 62 O GLY A 7 0.915 -20.922 9.677 1.00 0.00 O ATOM 0 H GLY A 7 -0.033 -22.804 10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.146 -21.399 9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.933 -20.726 10.864 1.00 0.00 H new ATOM 66 N THR A 8 -0.519 -19.293 9.041 1.00 0.00 N ATOM 67 CA THR A 8 0.524 -18.422 8.527 1.00 0.00 C ATOM 68 C THR A 8 0.580 -17.123 9.335 1.00 0.00 C ATOM 69 O THR A 8 -0.445 -16.640 9.812 1.00 0.00 O ATOM 70 CB THR A 8 0.261 -18.199 7.036 1.00 0.00 C ATOM 71 OG1 THR A 8 1.234 -17.231 6.653 1.00 0.00 O ATOM 72 CG2 THR A 8 -1.077 -17.505 6.775 1.00 0.00 C ATOM 0 H THR A 8 -1.465 -18.922 8.956 1.00 0.00 H new ATOM 0 HA THR A 8 1.508 -18.878 8.634 1.00 0.00 H new ATOM 0 HB THR A 8 0.280 -19.157 6.517 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.136 -17.029 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.214 -17.371 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.888 -18.117 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.084 -16.532 7.266 1.00 0.00 H new ATOM 80 N PRO A 9 1.821 -16.582 9.467 1.00 0.00 N ATOM 81 CA PRO A 9 2.025 -15.350 10.209 1.00 0.00 C ATOM 82 C PRO A 9 1.545 -14.140 9.404 1.00 0.00 C ATOM 83 O PRO A 9 2.343 -13.467 8.753 1.00 0.00 O ATOM 84 CB PRO A 9 3.515 -15.312 10.507 1.00 0.00 C ATOM 85 CG PRO A 9 4.160 -16.279 9.528 1.00 0.00 C ATOM 86 CD PRO A 9 3.058 -17.128 8.916 1.00 0.00 C ATOM 0 HA PRO A 9 1.447 -15.314 11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.913 -14.305 10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.715 -15.607 11.537 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.698 -15.734 8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.889 -16.909 10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.068 -17.066 7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.177 -18.180 9.176 1.00 0.00 H new ATOM 94 N PHE A 10 0.244 -13.900 9.476 1.00 0.00 N ATOM 95 CA PHE A 10 -0.351 -12.783 8.762 1.00 0.00 C ATOM 96 C PHE A 10 -0.058 -12.871 7.263 1.00 0.00 C ATOM 97 O PHE A 10 0.618 -13.794 6.812 1.00 0.00 O ATOM 98 CB PHE A 10 0.283 -11.507 9.320 1.00 0.00 C ATOM 99 CG PHE A 10 0.273 -11.424 10.847 1.00 0.00 C ATOM 100 CD1 PHE A 10 -0.864 -11.066 11.502 1.00 0.00 C ATOM 101 CD2 PHE A 10 1.402 -11.708 11.551 1.00 0.00 C ATOM 102 CE1 PHE A 10 -0.872 -10.989 12.920 1.00 0.00 C ATOM 103 CE2 PHE A 10 1.394 -11.631 12.969 1.00 0.00 C ATOM 104 CZ PHE A 10 0.257 -11.273 13.623 1.00 0.00 C ATOM 0 H PHE A 10 -0.415 -14.460 10.018 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.433 -12.791 8.894 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.313 -11.442 8.970 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.246 -10.644 8.916 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.761 -10.840 10.944 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.305 -11.992 11.031 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.775 -10.705 13.440 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.290 -11.857 13.528 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.250 -11.214 14.701 1.00 0.00 H new ATOM 114 N ARG A 11 -0.582 -11.898 6.532 1.00 0.00 N ATOM 115 CA ARG A 11 -0.384 -11.854 5.093 1.00 0.00 C ATOM 116 C ARG A 11 0.360 -10.577 4.698 1.00 0.00 C ATOM 117 O ARG A 11 0.453 -9.639 5.488 1.00 0.00 O ATOM 118 CB ARG A 11 -1.722 -11.906 4.352 1.00 0.00 C ATOM 119 CG ARG A 11 -1.905 -13.251 3.645 1.00 0.00 C ATOM 120 CD ARG A 11 -3.290 -13.835 3.928 1.00 0.00 C ATOM 121 NE ARG A 11 -3.485 -15.077 3.147 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.614 -15.799 3.152 1.00 0.00 C ATOM 123 NH1 ARG A 11 -5.656 -15.406 3.897 1.00 0.00 N ATOM 124 NH2 ARG A 11 -4.700 -16.913 2.413 1.00 0.00 N ATOM 0 H ARG A 11 -1.143 -11.134 6.909 1.00 0.00 H new ATOM 0 HA ARG A 11 0.209 -12.725 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.538 -11.747 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.769 -11.098 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.773 -13.122 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.137 -13.949 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.395 -14.045 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.060 -13.108 3.669 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.711 -15.404 2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.590 -14.558 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.516 -15.955 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.906 -17.212 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.559 -17.462 2.417 1.00 0.00 H new ATOM 138 N LYS A 12 0.871 -10.582 3.476 1.00 0.00 N ATOM 139 CA LYS A 12 1.605 -9.436 2.967 1.00 0.00 C ATOM 140 C LYS A 12 1.088 -9.084 1.571 1.00 0.00 C ATOM 141 O LYS A 12 0.557 -9.943 0.867 1.00 0.00 O ATOM 142 CB LYS A 12 3.111 -9.699 3.016 1.00 0.00 C ATOM 143 CG LYS A 12 3.615 -9.732 4.461 1.00 0.00 C ATOM 144 CD LYS A 12 4.883 -10.580 4.580 1.00 0.00 C ATOM 145 CE LYS A 12 4.655 -11.987 4.025 1.00 0.00 C ATOM 146 NZ LYS A 12 5.528 -12.963 4.714 1.00 0.00 N ATOM 0 H LYS A 12 0.791 -11.362 2.823 1.00 0.00 H new ATOM 0 HA LYS A 12 1.436 -8.564 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.334 -10.647 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.638 -8.923 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.819 -8.717 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.840 -10.137 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.698 -10.099 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.187 -10.642 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.610 -12.270 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.859 -12.000 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.361 -13.913 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.524 -12.700 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.314 -12.963 5.732 1.00 0.00 H new ATOM 160 N ALA A 13 1.260 -7.821 1.211 1.00 0.00 N ATOM 161 CA ALA A 13 0.817 -7.345 -0.088 1.00 0.00 C ATOM 162 C ALA A 13 1.924 -6.499 -0.721 1.00 0.00 C ATOM 163 O ALA A 13 2.766 -5.944 -0.017 1.00 0.00 O ATOM 164 CB ALA A 13 -0.491 -6.569 0.071 1.00 0.00 C ATOM 0 H ALA A 13 1.701 -7.112 1.797 1.00 0.00 H new ATOM 0 HA ALA A 13 0.619 -8.183 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.823 -6.212 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.252 -7.223 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.331 -5.718 0.734 1.00 0.00 H new ATOM 170 N LYS A 14 1.887 -6.428 -2.044 1.00 0.00 N ATOM 171 CA LYS A 14 2.876 -5.659 -2.780 1.00 0.00 C ATOM 172 C LYS A 14 2.178 -4.527 -3.535 1.00 0.00 C ATOM 173 O LYS A 14 1.162 -4.749 -4.193 1.00 0.00 O ATOM 174 CB LYS A 14 3.708 -6.576 -3.678 1.00 0.00 C ATOM 175 CG LYS A 14 4.270 -5.808 -4.876 1.00 0.00 C ATOM 176 CD LYS A 14 5.037 -6.742 -5.815 1.00 0.00 C ATOM 177 CE LYS A 14 4.140 -7.232 -6.953 1.00 0.00 C ATOM 178 NZ LYS A 14 3.845 -6.127 -7.893 1.00 0.00 N ATOM 0 H LYS A 14 1.188 -6.890 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 14 3.585 -5.195 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.526 -7.009 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.092 -7.404 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.456 -5.328 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.931 -5.015 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.901 -6.220 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.418 -7.595 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.630 -8.048 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.210 -7.629 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.539 -6.520 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.088 -5.531 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.700 -5.552 -8.033 1.00 0.00 H new ATOM 192 N ALA A 15 2.749 -3.338 -3.416 1.00 0.00 N ATOM 193 CA ALA A 15 2.193 -2.171 -4.080 1.00 0.00 C ATOM 194 C ALA A 15 2.400 -2.301 -5.590 1.00 0.00 C ATOM 195 O ALA A 15 3.521 -2.514 -6.051 1.00 0.00 O ATOM 196 CB ALA A 15 2.837 -0.905 -3.511 1.00 0.00 C ATOM 0 H ALA A 15 3.591 -3.157 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 15 1.120 -2.102 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.420 -0.029 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.636 -0.844 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.914 -0.938 -3.677 1.00 0.00 H new ATOM 202 N LEU A 16 1.302 -2.169 -6.319 1.00 0.00 N ATOM 203 CA LEU A 16 1.349 -2.270 -7.768 1.00 0.00 C ATOM 204 C LEU A 16 1.963 -0.993 -8.344 1.00 0.00 C ATOM 205 O LEU A 16 2.872 -1.055 -9.170 1.00 0.00 O ATOM 206 CB LEU A 16 -0.038 -2.592 -8.328 1.00 0.00 C ATOM 207 CG LEU A 16 -0.627 -3.946 -7.924 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.126 -4.003 -8.223 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.134 -5.095 -8.588 1.00 0.00 C ATOM 0 H LEU A 16 0.374 -1.993 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 16 1.990 -3.098 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.727 -1.809 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.013 -2.550 -9.416 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.509 -4.062 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.519 -4.975 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.638 -3.219 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.290 -3.855 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.305 -6.045 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.070 -4.996 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.180 -5.064 -8.282 1.00 0.00 H new ATOM 221 N TYR A 17 1.442 0.135 -7.886 1.00 0.00 N ATOM 222 CA TYR A 17 1.928 1.425 -8.345 1.00 0.00 C ATOM 223 C TYR A 17 2.349 2.304 -7.166 1.00 0.00 C ATOM 224 O TYR A 17 1.844 2.145 -6.056 1.00 0.00 O ATOM 225 CB TYR A 17 0.751 2.087 -9.064 1.00 0.00 C ATOM 226 CG TYR A 17 0.015 1.163 -10.036 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.993 0.340 -9.576 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.359 1.152 -11.372 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.686 -0.531 -10.491 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.333 0.281 -12.287 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.321 -0.517 -11.801 1.00 0.00 C ATOM 232 OH TYR A 17 -1.975 -1.339 -12.665 1.00 0.00 O ATOM 0 H TYR A 17 0.688 0.183 -7.201 1.00 0.00 H new ATOM 0 HA TYR A 17 2.797 1.300 -8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.043 2.452 -8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.115 2.956 -9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.262 0.349 -8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.147 1.797 -11.732 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.477 -1.180 -10.145 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.073 0.262 -13.335 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.610 -1.222 -13.567 1.00 0.00 H new ATOM 242 N ALA A 18 3.272 3.213 -7.447 1.00 0.00 N ATOM 243 CA ALA A 18 3.767 4.117 -6.423 1.00 0.00 C ATOM 244 C ALA A 18 2.687 5.149 -6.093 1.00 0.00 C ATOM 245 O ALA A 18 2.116 5.764 -6.992 1.00 0.00 O ATOM 246 CB ALA A 18 5.067 4.767 -6.902 1.00 0.00 C ATOM 0 H ALA A 18 3.689 3.342 -8.369 1.00 0.00 H new ATOM 0 HA ALA A 18 3.992 3.572 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.439 5.445 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.811 3.994 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.878 5.325 -7.819 1.00 0.00 H new ATOM 252 N CYS A 19 2.439 5.306 -4.801 1.00 0.00 N ATOM 253 CA CYS A 19 1.436 6.253 -4.342 1.00 0.00 C ATOM 254 C CYS A 19 2.117 7.260 -3.412 1.00 0.00 C ATOM 255 O CYS A 19 2.950 6.885 -2.589 1.00 0.00 O ATOM 256 CB CYS A 19 0.264 5.547 -3.658 1.00 0.00 C ATOM 257 SG CYS A 19 -1.236 6.591 -3.753 1.00 0.00 S ATOM 0 H CYS A 19 2.915 4.794 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 19 1.010 6.779 -5.196 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.079 4.585 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.510 5.343 -2.616 1.00 0.00 H new ATOM 0 HG CYS A 19 -2.226 5.982 -3.171 1.00 0.00 H new ATOM 263 N LYS A 20 1.737 8.518 -3.576 1.00 0.00 N ATOM 264 CA LYS A 20 2.300 9.582 -2.762 1.00 0.00 C ATOM 265 C LYS A 20 1.256 10.046 -1.744 1.00 0.00 C ATOM 266 O LYS A 20 0.806 11.190 -1.790 1.00 0.00 O ATOM 267 CB LYS A 20 2.838 10.707 -3.648 1.00 0.00 C ATOM 268 CG LYS A 20 3.450 11.826 -2.802 1.00 0.00 C ATOM 269 CD LYS A 20 3.388 13.166 -3.539 1.00 0.00 C ATOM 270 CE LYS A 20 4.358 13.186 -4.722 1.00 0.00 C ATOM 271 NZ LYS A 20 5.616 13.871 -4.349 1.00 0.00 N ATOM 0 H LYS A 20 1.046 8.825 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 20 3.157 9.216 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.589 10.310 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.032 11.109 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.917 11.903 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.486 11.584 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.373 13.344 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.631 13.975 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.573 12.166 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.897 13.694 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.263 13.876 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.408 14.850 -4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.062 13.369 -3.555 1.00 0.00 H new ATOM 285 N ALA A 21 0.903 9.136 -0.849 1.00 0.00 N ATOM 286 CA ALA A 21 -0.079 9.438 0.179 1.00 0.00 C ATOM 287 C ALA A 21 0.161 10.853 0.707 1.00 0.00 C ATOM 288 O ALA A 21 1.301 11.242 0.955 1.00 0.00 O ATOM 289 CB ALA A 21 -0.003 8.382 1.284 1.00 0.00 C ATOM 0 H ALA A 21 1.279 8.189 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.088 9.407 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.739 8.608 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.210 7.398 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.995 8.386 1.723 1.00 0.00 H new ATOM 295 N GLU A 22 -0.933 11.585 0.863 1.00 0.00 N ATOM 296 CA GLU A 22 -0.855 12.950 1.357 1.00 0.00 C ATOM 297 C GLU A 22 -1.472 13.044 2.754 1.00 0.00 C ATOM 298 O GLU A 22 -1.200 13.988 3.494 1.00 0.00 O ATOM 299 CB GLU A 22 -1.536 13.922 0.391 1.00 0.00 C ATOM 300 CG GLU A 22 -3.052 13.925 0.594 1.00 0.00 C ATOM 301 CD GLU A 22 -3.781 14.189 -0.725 1.00 0.00 C ATOM 302 OE1 GLU A 22 -3.447 15.210 -1.364 1.00 0.00 O ATOM 303 OE2 GLU A 22 -4.657 13.363 -1.065 1.00 0.00 O ATOM 0 H GLU A 22 -1.877 11.259 0.656 1.00 0.00 H new ATOM 0 HA GLU A 22 0.196 13.232 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.143 14.927 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.304 13.642 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.370 12.966 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.323 14.689 1.323 1.00 0.00 H new ATOM 310 N HIS A 23 -2.289 12.051 3.074 1.00 0.00 N ATOM 311 CA HIS A 23 -2.946 12.010 4.369 1.00 0.00 C ATOM 312 C HIS A 23 -2.125 11.152 5.334 1.00 0.00 C ATOM 313 O HIS A 23 -1.439 10.222 4.912 1.00 0.00 O ATOM 314 CB HIS A 23 -4.392 11.529 4.230 1.00 0.00 C ATOM 315 CG HIS A 23 -5.179 11.571 5.518 1.00 0.00 C ATOM 316 ND1 HIS A 23 -5.016 12.567 6.464 1.00 0.00 N ATOM 317 CD2 HIS A 23 -6.137 10.730 6.005 1.00 0.00 C ATOM 318 CE1 HIS A 23 -5.842 12.327 7.472 1.00 0.00 C ATOM 319 NE2 HIS A 23 -6.535 11.187 7.185 1.00 0.00 N ATOM 0 H HIS A 23 -2.511 11.269 2.458 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.998 13.016 4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.899 12.144 3.486 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.389 10.507 3.851 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.508 9.843 5.513 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.948 12.928 8.363 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.243 10.757 7.780 1.00 0.00 H new ATOM 327 N ASP A 24 -2.223 11.495 6.610 1.00 0.00 N ATOM 328 CA ASP A 24 -1.498 10.767 7.637 1.00 0.00 C ATOM 329 C ASP A 24 -1.955 9.307 7.642 1.00 0.00 C ATOM 330 O ASP A 24 -1.139 8.396 7.511 1.00 0.00 O ATOM 331 CB ASP A 24 -1.772 11.352 9.024 1.00 0.00 C ATOM 332 CG ASP A 24 -1.444 10.424 10.195 1.00 0.00 C ATOM 333 OD1 ASP A 24 -0.250 10.374 10.562 1.00 0.00 O ATOM 334 OD2 ASP A 24 -2.394 9.784 10.695 1.00 0.00 O ATOM 0 H ASP A 24 -2.793 12.267 6.956 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.433 10.844 7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.195 12.270 9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.825 11.629 9.083 1.00 0.00 H new ATOM 339 N SER A 25 -3.260 9.130 7.794 1.00 0.00 N ATOM 340 CA SER A 25 -3.836 7.796 7.817 1.00 0.00 C ATOM 341 C SER A 25 -3.277 6.964 6.660 1.00 0.00 C ATOM 342 O SER A 25 -2.930 5.798 6.841 1.00 0.00 O ATOM 343 CB SER A 25 -5.363 7.854 7.740 1.00 0.00 C ATOM 344 OG SER A 25 -5.965 6.632 8.158 1.00 0.00 O ATOM 0 H SER A 25 -3.934 9.888 7.902 1.00 0.00 H new ATOM 0 HA SER A 25 -3.565 7.323 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.727 8.670 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.666 8.076 6.717 1.00 0.00 H new ATOM 0 HG SER A 25 -6.940 6.710 8.096 1.00 0.00 H new ATOM 350 N GLU A 26 -3.208 7.597 5.498 1.00 0.00 N ATOM 351 CA GLU A 26 -2.697 6.930 4.313 1.00 0.00 C ATOM 352 C GLU A 26 -1.197 6.663 4.458 1.00 0.00 C ATOM 353 O GLU A 26 -0.534 7.270 5.298 1.00 0.00 O ATOM 354 CB GLU A 26 -2.989 7.750 3.054 1.00 0.00 C ATOM 355 CG GLU A 26 -4.476 7.699 2.699 1.00 0.00 C ATOM 356 CD GLU A 26 -4.774 8.549 1.462 1.00 0.00 C ATOM 357 OE1 GLU A 26 -4.601 9.782 1.566 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.167 7.946 0.441 1.00 0.00 O ATOM 0 H GLU A 26 -3.497 8.564 5.352 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.208 5.973 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.684 8.785 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.399 7.367 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.775 6.667 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.067 8.057 3.542 1.00 0.00 H new ATOM 365 N LEU A 27 -0.707 5.755 3.627 1.00 0.00 N ATOM 366 CA LEU A 27 0.702 5.401 3.653 1.00 0.00 C ATOM 367 C LEU A 27 1.310 5.645 2.270 1.00 0.00 C ATOM 368 O LEU A 27 0.623 5.528 1.256 1.00 0.00 O ATOM 369 CB LEU A 27 0.885 3.969 4.160 1.00 0.00 C ATOM 370 CG LEU A 27 0.203 3.637 5.489 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.096 2.123 5.686 1.00 0.00 C ATOM 372 CD2 LEU A 27 0.918 4.317 6.658 1.00 0.00 C ATOM 0 H LEU A 27 -1.260 5.254 2.932 1.00 0.00 H new ATOM 0 HA LEU A 27 1.241 6.036 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.509 3.284 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.953 3.775 4.263 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.813 4.032 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.392 1.914 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.490 1.691 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.094 1.685 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.413 4.064 7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.952 3.974 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.900 5.398 6.517 1.00 0.00 H new ATOM 384 N SER A 28 2.592 5.981 2.274 1.00 0.00 N ATOM 385 CA SER A 28 3.300 6.243 1.032 1.00 0.00 C ATOM 386 C SER A 28 4.357 5.163 0.795 1.00 0.00 C ATOM 387 O SER A 28 5.089 4.794 1.712 1.00 0.00 O ATOM 388 CB SER A 28 3.950 7.628 1.051 1.00 0.00 C ATOM 389 OG SER A 28 5.063 7.683 1.939 1.00 0.00 O ATOM 0 H SER A 28 3.158 6.078 3.117 1.00 0.00 H new ATOM 0 HA SER A 28 2.579 6.221 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.276 7.889 0.044 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.211 8.371 1.350 1.00 0.00 H new ATOM 0 HG SER A 28 5.451 8.583 1.921 1.00 0.00 H new ATOM 395 N PHE A 29 4.404 4.687 -0.441 1.00 0.00 N ATOM 396 CA PHE A 29 5.360 3.657 -0.810 1.00 0.00 C ATOM 397 C PHE A 29 5.609 3.656 -2.319 1.00 0.00 C ATOM 398 O PHE A 29 4.975 4.409 -3.057 1.00 0.00 O ATOM 399 CB PHE A 29 4.750 2.314 -0.404 1.00 0.00 C ATOM 400 CG PHE A 29 3.257 2.189 -0.717 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.852 1.821 -1.962 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.336 2.447 0.250 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.466 1.705 -2.252 1.00 0.00 C ATOM 404 CE2 PHE A 29 0.951 2.331 -0.040 1.00 0.00 C ATOM 405 CZ PHE A 29 0.545 1.963 -1.285 1.00 0.00 C ATOM 0 H PHE A 29 3.796 4.996 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 29 6.313 3.838 -0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.286 1.514 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.900 2.167 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.584 1.617 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.658 2.740 1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.144 1.412 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.220 2.535 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.509 1.876 -1.506 1.00 0.00 H new ATOM 415 N THR A 30 6.533 2.801 -2.734 1.00 0.00 N ATOM 416 CA THR A 30 6.873 2.692 -4.142 1.00 0.00 C ATOM 417 C THR A 30 6.477 1.316 -4.681 1.00 0.00 C ATOM 418 O THR A 30 6.563 0.317 -3.968 1.00 0.00 O ATOM 419 CB THR A 30 8.364 2.997 -4.294 1.00 0.00 C ATOM 420 OG1 THR A 30 8.999 2.071 -3.416 1.00 0.00 O ATOM 421 CG2 THR A 30 8.742 4.367 -3.726 1.00 0.00 C ATOM 0 H THR A 30 7.056 2.178 -2.119 1.00 0.00 H new ATOM 0 HA THR A 30 6.316 3.414 -4.740 1.00 0.00 H new ATOM 0 HB THR A 30 8.638 2.952 -5.348 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.970 2.198 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.811 4.534 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.185 5.144 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.499 4.400 -2.664 1.00 0.00 H new ATOM 429 N ALA A 31 6.050 1.307 -5.936 1.00 0.00 N ATOM 430 CA ALA A 31 5.641 0.070 -6.579 1.00 0.00 C ATOM 431 C ALA A 31 6.625 -1.042 -6.209 1.00 0.00 C ATOM 432 O ALA A 31 7.837 -0.836 -6.235 1.00 0.00 O ATOM 433 CB ALA A 31 5.546 0.287 -8.090 1.00 0.00 C ATOM 0 H ALA A 31 5.979 2.137 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 31 4.654 -0.235 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.239 -0.641 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.812 1.065 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.519 0.592 -8.476 1.00 0.00 H new ATOM 439 N GLY A 32 6.066 -2.195 -5.874 1.00 0.00 N ATOM 440 CA GLY A 32 6.879 -3.340 -5.500 1.00 0.00 C ATOM 441 C GLY A 32 7.049 -3.419 -3.981 1.00 0.00 C ATOM 442 O GLY A 32 7.514 -4.430 -3.457 1.00 0.00 O ATOM 0 H GLY A 32 5.060 -2.361 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.414 -4.256 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.857 -3.267 -5.976 1.00 0.00 H new ATOM 446 N THR A 33 6.664 -2.339 -3.318 1.00 0.00 N ATOM 447 CA THR A 33 6.768 -2.273 -1.870 1.00 0.00 C ATOM 448 C THR A 33 5.879 -3.336 -1.223 1.00 0.00 C ATOM 449 O THR A 33 4.680 -3.398 -1.494 1.00 0.00 O ATOM 450 CB THR A 33 6.424 -0.847 -1.436 1.00 0.00 C ATOM 451 OG1 THR A 33 7.635 -0.122 -1.632 1.00 0.00 O ATOM 452 CG2 THR A 33 6.164 -0.739 0.068 1.00 0.00 C ATOM 0 H THR A 33 6.279 -1.502 -3.757 1.00 0.00 H new ATOM 0 HA THR A 33 7.782 -2.494 -1.536 1.00 0.00 H new ATOM 0 HB THR A 33 5.545 -0.504 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.642 0.267 -2.532 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.924 0.293 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.328 -1.383 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.054 -1.050 0.614 1.00 0.00 H new ATOM 460 N VAL A 34 6.500 -4.147 -0.379 1.00 0.00 N ATOM 461 CA VAL A 34 5.780 -5.205 0.309 1.00 0.00 C ATOM 462 C VAL A 34 5.376 -4.718 1.702 1.00 0.00 C ATOM 463 O VAL A 34 6.213 -4.233 2.462 1.00 0.00 O ATOM 464 CB VAL A 34 6.628 -6.478 0.344 1.00 0.00 C ATOM 465 CG1 VAL A 34 6.065 -7.484 1.350 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.740 -7.100 -1.049 1.00 0.00 C ATOM 0 H VAL A 34 7.494 -4.093 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 34 4.864 -5.455 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 34 7.631 -6.204 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.686 -8.380 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.061 -7.040 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.047 -7.750 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.348 -8.003 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.745 -7.353 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.207 -6.388 -1.729 1.00 0.00 H new ATOM 476 N PHE A 35 4.092 -4.864 1.996 1.00 0.00 N ATOM 477 CA PHE A 35 3.566 -4.445 3.284 1.00 0.00 C ATOM 478 C PHE A 35 3.501 -5.623 4.259 1.00 0.00 C ATOM 479 O PHE A 35 3.468 -6.779 3.840 1.00 0.00 O ATOM 480 CB PHE A 35 2.150 -3.921 3.040 1.00 0.00 C ATOM 481 CG PHE A 35 2.080 -2.748 2.060 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.196 -1.473 2.517 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.903 -2.982 0.732 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.132 -0.384 1.607 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.838 -1.893 -0.178 1.00 0.00 C ATOM 486 CZ PHE A 35 1.955 -0.618 0.279 1.00 0.00 C ATOM 0 H PHE A 35 3.400 -5.267 1.364 1.00 0.00 H new ATOM 0 HA PHE A 35 4.212 -3.683 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.533 -4.735 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.719 -3.612 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.337 -1.288 3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.812 -3.995 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.224 0.629 1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.696 -2.078 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.907 0.210 -0.413 1.00 0.00 H new ATOM 496 N ASP A 36 3.484 -5.289 5.541 1.00 0.00 N ATOM 497 CA ASP A 36 3.423 -6.304 6.578 1.00 0.00 C ATOM 498 C ASP A 36 2.003 -6.363 7.145 1.00 0.00 C ATOM 499 O ASP A 36 1.335 -5.337 7.263 1.00 0.00 O ATOM 500 CB ASP A 36 4.377 -5.975 7.728 1.00 0.00 C ATOM 501 CG ASP A 36 5.680 -6.778 7.737 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.212 -7.008 6.629 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.113 -7.143 8.851 1.00 0.00 O ATOM 0 H ASP A 36 3.511 -4.329 5.885 1.00 0.00 H new ATOM 0 HA ASP A 36 3.709 -7.257 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.622 -4.914 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.857 -6.144 8.671 1.00 0.00 H new ATOM 508 N ASN A 37 1.584 -7.574 7.480 1.00 0.00 N ATOM 509 CA ASN A 37 0.255 -7.781 8.032 1.00 0.00 C ATOM 510 C ASN A 37 -0.744 -6.892 7.289 1.00 0.00 C ATOM 511 O ASN A 37 -1.124 -5.831 7.783 1.00 0.00 O ATOM 512 CB ASN A 37 0.210 -7.406 9.514 1.00 0.00 C ATOM 513 CG ASN A 37 -0.841 -8.233 10.257 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.550 -9.043 9.683 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.903 -7.983 11.562 1.00 0.00 N ATOM 0 H ASN A 37 2.141 -8.423 7.380 1.00 0.00 H new ATOM 0 HA ASN A 37 0.003 -8.835 7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.190 -7.568 9.964 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.017 -6.345 9.618 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.574 -8.483 12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.280 -7.292 11.979 1.00 0.00 H new ATOM 522 N VAL A 38 -1.142 -7.357 6.114 1.00 0.00 N ATOM 523 CA VAL A 38 -2.090 -6.617 5.299 1.00 0.00 C ATOM 524 C VAL A 38 -3.497 -7.175 5.527 1.00 0.00 C ATOM 525 O VAL A 38 -3.708 -8.385 5.459 1.00 0.00 O ATOM 526 CB VAL A 38 -1.662 -6.660 3.830 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.749 -6.077 2.925 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.331 -5.933 3.626 1.00 0.00 C ATOM 0 H VAL A 38 -0.825 -8.237 5.707 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.105 -5.567 5.590 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.520 -7.704 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.420 -6.120 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.666 -6.655 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.937 -5.040 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.049 -5.978 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.435 -4.891 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.441 -6.411 4.229 1.00 0.00 H new ATOM 538 N HIS A 39 -4.423 -6.265 5.794 1.00 0.00 N ATOM 539 CA HIS A 39 -5.803 -6.651 6.033 1.00 0.00 C ATOM 540 C HIS A 39 -6.739 -5.568 5.493 1.00 0.00 C ATOM 541 O HIS A 39 -6.299 -4.465 5.173 1.00 0.00 O ATOM 542 CB HIS A 39 -6.035 -6.949 7.516 1.00 0.00 C ATOM 543 CG HIS A 39 -6.485 -5.753 8.320 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.742 -5.190 8.186 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.834 -5.020 9.268 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.832 -4.164 9.020 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.649 -4.060 9.689 1.00 0.00 N ATOM 0 H HIS A 39 -4.244 -5.262 5.850 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.024 -7.574 5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.784 -7.736 7.605 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.112 -7.337 7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.826 -5.191 9.617 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.692 -3.523 9.147 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.426 -3.360 10.397 1.00 0.00 H new ATOM 555 N PRO A 40 -8.047 -5.931 5.405 1.00 0.00 N ATOM 556 CA PRO A 40 -9.049 -5.003 4.909 1.00 0.00 C ATOM 557 C PRO A 40 -9.379 -3.939 5.958 1.00 0.00 C ATOM 558 O PRO A 40 -9.915 -4.254 7.020 1.00 0.00 O ATOM 559 CB PRO A 40 -10.244 -5.871 4.548 1.00 0.00 C ATOM 560 CG PRO A 40 -10.042 -7.185 5.284 1.00 0.00 C ATOM 561 CD PRO A 40 -8.604 -7.228 5.775 1.00 0.00 C ATOM 0 HA PRO A 40 -8.706 -4.438 4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.177 -5.395 4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.299 -6.031 3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.734 -7.263 6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.245 -8.028 4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.558 -7.386 6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.051 -8.044 5.310 1.00 0.00 H new ATOM 569 N SER A 41 -9.043 -2.701 5.625 1.00 0.00 N ATOM 570 CA SER A 41 -9.297 -1.589 6.525 1.00 0.00 C ATOM 571 C SER A 41 -10.803 -1.405 6.718 1.00 0.00 C ATOM 572 O SER A 41 -11.603 -2.048 6.040 1.00 0.00 O ATOM 573 CB SER A 41 -8.667 -0.299 5.996 1.00 0.00 C ATOM 574 OG SER A 41 -8.359 0.614 7.046 1.00 0.00 O ATOM 0 H SER A 41 -8.597 -2.444 4.744 1.00 0.00 H new ATOM 0 HA SER A 41 -8.840 -1.816 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.757 -0.539 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.350 0.176 5.291 1.00 0.00 H new ATOM 0 HG SER A 41 -9.102 1.242 7.162 1.00 0.00 H new ATOM 580 N GLN A 42 -11.145 -0.523 7.646 1.00 0.00 N ATOM 581 CA GLN A 42 -12.541 -0.246 7.937 1.00 0.00 C ATOM 582 C GLN A 42 -13.223 0.382 6.720 1.00 0.00 C ATOM 583 O GLN A 42 -14.422 0.203 6.514 1.00 0.00 O ATOM 584 CB GLN A 42 -12.677 0.654 9.167 1.00 0.00 C ATOM 585 CG GLN A 42 -12.992 -0.170 10.417 1.00 0.00 C ATOM 586 CD GLN A 42 -14.487 -0.487 10.502 1.00 0.00 C ATOM 587 OE1 GLN A 42 -14.936 -1.573 10.174 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.228 0.517 10.960 1.00 0.00 N ATOM 0 H GLN A 42 -10.479 0.009 8.206 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.039 -1.189 8.161 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.753 1.212 9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.467 1.386 9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.420 -1.098 10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.682 0.378 11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.787 1.400 11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.237 0.404 11.055 1.00 0.00 H new ATOM 597 N GLU A 43 -12.428 1.104 5.944 1.00 0.00 N ATOM 598 CA GLU A 43 -12.939 1.760 4.752 1.00 0.00 C ATOM 599 C GLU A 43 -13.072 0.753 3.608 1.00 0.00 C ATOM 600 O GLU A 43 -12.344 -0.237 3.560 1.00 0.00 O ATOM 601 CB GLU A 43 -12.047 2.935 4.347 1.00 0.00 C ATOM 602 CG GLU A 43 -12.426 4.202 5.117 1.00 0.00 C ATOM 603 CD GLU A 43 -12.399 3.955 6.626 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.427 3.312 7.079 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.350 4.416 7.294 1.00 0.00 O ATOM 0 H GLU A 43 -11.433 1.249 6.117 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.928 2.159 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.003 2.687 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.140 3.115 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.735 5.006 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.421 4.531 4.816 1.00 0.00 H new ATOM 612 N PRO A 44 -14.033 1.048 2.692 1.00 0.00 N ATOM 613 CA PRO A 44 -14.271 0.179 1.551 1.00 0.00 C ATOM 614 C PRO A 44 -13.170 0.340 0.500 1.00 0.00 C ATOM 615 O PRO A 44 -12.856 1.457 0.091 1.00 0.00 O ATOM 616 CB PRO A 44 -15.645 0.574 1.036 1.00 0.00 C ATOM 617 CG PRO A 44 -15.927 1.952 1.613 1.00 0.00 C ATOM 618 CD PRO A 44 -14.915 2.211 2.717 1.00 0.00 C ATOM 0 HA PRO A 44 -14.248 -0.878 1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.662 0.596 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.402 -0.144 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.849 2.714 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.942 2.001 2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.361 3.132 2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.404 2.316 3.685 1.00 0.00 H new ATOM 626 N GLY A 45 -12.614 -0.792 0.094 1.00 0.00 N ATOM 627 CA GLY A 45 -11.556 -0.790 -0.901 1.00 0.00 C ATOM 628 C GLY A 45 -10.291 -0.126 -0.355 1.00 0.00 C ATOM 629 O GLY A 45 -9.564 0.537 -1.094 1.00 0.00 O ATOM 0 H GLY A 45 -12.876 -1.716 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.333 -1.814 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.892 -0.262 -1.793 1.00 0.00 H new ATOM 633 N TRP A 46 -10.066 -0.325 0.935 1.00 0.00 N ATOM 634 CA TRP A 46 -8.901 0.246 1.590 1.00 0.00 C ATOM 635 C TRP A 46 -8.312 -0.816 2.520 1.00 0.00 C ATOM 636 O TRP A 46 -9.007 -1.338 3.391 1.00 0.00 O ATOM 637 CB TRP A 46 -9.262 1.544 2.316 1.00 0.00 C ATOM 638 CG TRP A 46 -9.508 2.732 1.384 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.682 3.262 1.016 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.503 3.520 0.712 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.508 4.330 0.160 1.00 0.00 N ATOM 642 CE2 TRP A 46 -9.141 4.492 -0.031 1.00 0.00 C ATOM 643 CE3 TRP A 46 -7.101 3.414 0.731 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.457 5.433 -0.810 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.432 4.362 -0.053 1.00 0.00 C ATOM 646 CH2 TRP A 46 -7.060 5.347 -0.806 1.00 0.00 C ATOM 0 H TRP A 46 -10.671 -0.874 1.545 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.144 0.523 0.857 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.156 1.376 2.916 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.457 1.798 3.006 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.644 2.899 1.348 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.247 4.897 -0.256 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.581 2.661 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.979 6.185 -1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.353 4.325 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.472 6.043 -1.386 1.00 0.00 H new ATOM 657 N LEU A 47 -7.037 -1.105 2.304 1.00 0.00 N ATOM 658 CA LEU A 47 -6.347 -2.096 3.112 1.00 0.00 C ATOM 659 C LEU A 47 -5.593 -1.391 4.241 1.00 0.00 C ATOM 660 O LEU A 47 -5.087 -0.285 4.058 1.00 0.00 O ATOM 661 CB LEU A 47 -5.457 -2.977 2.234 1.00 0.00 C ATOM 662 CG LEU A 47 -6.166 -3.744 1.116 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.186 -4.646 0.363 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.362 -4.527 1.661 1.00 0.00 C ATOM 0 H LEU A 47 -6.464 -0.670 1.581 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.063 -2.772 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.688 -2.349 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.947 -3.697 2.875 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.554 -3.021 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.716 -5.180 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.396 -4.037 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.747 -5.364 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.848 -5.063 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.019 -5.240 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.072 -3.836 2.116 1.00 0.00 H new ATOM 676 N GLU A 48 -5.541 -2.060 5.383 1.00 0.00 N ATOM 677 CA GLU A 48 -4.857 -1.512 6.542 1.00 0.00 C ATOM 678 C GLU A 48 -3.706 -2.428 6.962 1.00 0.00 C ATOM 679 O GLU A 48 -3.919 -3.420 7.657 1.00 0.00 O ATOM 680 CB GLU A 48 -5.832 -1.290 7.700 1.00 0.00 C ATOM 681 CG GLU A 48 -5.245 -0.326 8.734 1.00 0.00 C ATOM 682 CD GLU A 48 -6.353 0.338 9.554 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.293 -0.392 9.935 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.234 1.562 9.781 1.00 0.00 O ATOM 0 H GLU A 48 -5.962 -2.977 5.531 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.442 -0.542 6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.771 -0.891 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.061 -2.244 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.570 -0.866 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.653 0.438 8.230 1.00 0.00 H new ATOM 691 N GLY A 49 -2.511 -2.063 6.521 1.00 0.00 N ATOM 692 CA GLY A 49 -1.325 -2.840 6.843 1.00 0.00 C ATOM 693 C GLY A 49 -0.330 -2.010 7.657 1.00 0.00 C ATOM 694 O GLY A 49 -0.665 -0.928 8.136 1.00 0.00 O ATOM 0 H GLY A 49 -2.338 -1.240 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.610 -3.728 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.851 -3.184 5.924 1.00 0.00 H new ATOM 698 N THR A 50 0.872 -2.550 7.789 1.00 0.00 N ATOM 699 CA THR A 50 1.918 -1.873 8.536 1.00 0.00 C ATOM 700 C THR A 50 3.179 -1.731 7.681 1.00 0.00 C ATOM 701 O THR A 50 3.901 -2.704 7.467 1.00 0.00 O ATOM 702 CB THR A 50 2.149 -2.649 9.835 1.00 0.00 C ATOM 703 OG1 THR A 50 0.891 -2.593 10.501 1.00 0.00 O ATOM 704 CG2 THR A 50 3.108 -1.929 10.785 1.00 0.00 C ATOM 0 H THR A 50 1.145 -3.449 7.391 1.00 0.00 H new ATOM 0 HA THR A 50 1.623 -0.856 8.795 1.00 0.00 H new ATOM 0 HB THR A 50 2.545 -3.637 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.646 -1.657 10.660 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.237 -2.522 11.690 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.074 -1.798 10.297 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.698 -0.953 11.046 1.00 0.00 H new ATOM 712 N LEU A 51 3.405 -0.512 7.215 1.00 0.00 N ATOM 713 CA LEU A 51 4.566 -0.230 6.388 1.00 0.00 C ATOM 714 C LEU A 51 5.656 0.411 7.248 1.00 0.00 C ATOM 715 O LEU A 51 5.572 1.591 7.586 1.00 0.00 O ATOM 716 CB LEU A 51 4.167 0.611 5.173 1.00 0.00 C ATOM 717 CG LEU A 51 5.318 1.132 4.310 1.00 0.00 C ATOM 718 CD1 LEU A 51 5.832 0.042 3.367 1.00 0.00 C ATOM 719 CD2 LEU A 51 4.909 2.398 3.555 1.00 0.00 C ATOM 0 H LEU A 51 2.804 0.292 7.394 1.00 0.00 H new ATOM 0 HA LEU A 51 4.980 -1.154 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.509 0.013 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.586 1.465 5.522 1.00 0.00 H new ATOM 0 HG LEU A 51 6.143 1.404 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.650 0.438 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.189 -0.806 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.024 -0.283 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.746 2.747 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.060 2.177 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.630 3.173 4.269 1.00 0.00 H new ATOM 731 N ASN A 52 6.655 -0.395 7.579 1.00 0.00 N ATOM 732 CA ASN A 52 7.761 0.079 8.394 1.00 0.00 C ATOM 733 C ASN A 52 7.224 0.566 9.741 1.00 0.00 C ATOM 734 O ASN A 52 7.143 1.769 9.983 1.00 0.00 O ATOM 735 CB ASN A 52 8.479 1.250 7.720 1.00 0.00 C ATOM 736 CG ASN A 52 9.363 0.763 6.570 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.313 0.020 6.755 1.00 0.00 O ATOM 738 ND2 ASN A 52 8.998 1.221 5.376 1.00 0.00 N ATOM 0 H ASN A 52 6.721 -1.373 7.297 1.00 0.00 H new ATOM 0 HA ASN A 52 8.461 -0.746 8.525 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.745 1.962 7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.088 1.778 8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.524 0.953 4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.192 1.840 5.292 1.00 0.00 H new ATOM 745 N GLY A 53 6.870 -0.394 10.583 1.00 0.00 N ATOM 746 CA GLY A 53 6.344 -0.078 11.900 1.00 0.00 C ATOM 747 C GLY A 53 5.409 1.132 11.841 1.00 0.00 C ATOM 748 O GLY A 53 5.436 1.985 12.726 1.00 0.00 O ATOM 0 H GLY A 53 6.937 -1.391 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.806 -0.939 12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.167 0.127 12.585 1.00 0.00 H new ATOM 752 N LYS A 54 4.604 1.167 10.789 1.00 0.00 N ATOM 753 CA LYS A 54 3.663 2.258 10.602 1.00 0.00 C ATOM 754 C LYS A 54 2.392 1.722 9.940 1.00 0.00 C ATOM 755 O LYS A 54 2.442 1.192 8.831 1.00 0.00 O ATOM 756 CB LYS A 54 4.320 3.407 9.834 1.00 0.00 C ATOM 757 CG LYS A 54 3.513 4.698 9.983 1.00 0.00 C ATOM 758 CD LYS A 54 3.991 5.761 8.992 1.00 0.00 C ATOM 759 CE LYS A 54 2.868 6.744 8.658 1.00 0.00 C ATOM 760 NZ LYS A 54 3.377 8.134 8.661 1.00 0.00 N ATOM 0 H LYS A 54 4.584 0.457 10.057 1.00 0.00 H new ATOM 0 HA LYS A 54 3.369 2.677 11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.334 3.563 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.401 3.144 8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.456 4.491 9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.609 5.076 11.001 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.839 6.301 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.342 5.280 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.448 6.507 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.062 6.644 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.602 8.788 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.757 8.363 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.131 8.229 7.951 1.00 0.00 H new ATOM 774 N THR A 55 1.283 1.879 10.647 1.00 0.00 N ATOM 775 CA THR A 55 0.001 1.417 10.142 1.00 0.00 C ATOM 776 C THR A 55 -0.805 2.591 9.583 1.00 0.00 C ATOM 777 O THR A 55 -0.807 3.678 10.159 1.00 0.00 O ATOM 778 CB THR A 55 -0.712 0.673 11.272 1.00 0.00 C ATOM 779 OG1 THR A 55 0.063 -0.509 11.453 1.00 0.00 O ATOM 780 CG2 THR A 55 -2.089 0.154 10.853 1.00 0.00 C ATOM 0 H THR A 55 1.245 2.320 11.566 1.00 0.00 H new ATOM 0 HA THR A 55 0.129 0.725 9.309 1.00 0.00 H new ATOM 0 HB THR A 55 -0.819 1.335 12.131 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.329 -1.051 12.170 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.552 -0.366 11.691 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.718 0.992 10.554 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.979 -0.534 10.015 1.00 0.00 H new ATOM 788 N GLY A 56 -1.472 2.332 8.468 1.00 0.00 N ATOM 789 CA GLY A 56 -2.281 3.353 7.825 1.00 0.00 C ATOM 790 C GLY A 56 -3.231 2.734 6.798 1.00 0.00 C ATOM 791 O GLY A 56 -3.410 1.518 6.766 1.00 0.00 O ATOM 0 H GLY A 56 -1.469 1.429 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.855 3.894 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.633 4.080 7.335 1.00 0.00 H new ATOM 795 N LEU A 57 -3.817 3.600 5.984 1.00 0.00 N ATOM 796 CA LEU A 57 -4.745 3.154 4.959 1.00 0.00 C ATOM 797 C LEU A 57 -3.990 2.964 3.642 1.00 0.00 C ATOM 798 O LEU A 57 -3.148 3.785 3.281 1.00 0.00 O ATOM 799 CB LEU A 57 -5.931 4.114 4.855 1.00 0.00 C ATOM 800 CG LEU A 57 -6.774 4.278 6.122 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.923 5.263 5.892 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.273 2.924 6.628 1.00 0.00 C ATOM 0 H LEU A 57 -3.667 4.608 6.014 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.171 2.187 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.555 5.095 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.582 3.770 4.051 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.140 4.699 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.507 5.362 6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.518 6.236 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.564 4.894 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.869 3.069 7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.886 2.452 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.421 2.284 6.856 1.00 0.00 H new ATOM 814 N ILE A 58 -4.319 1.877 2.959 1.00 0.00 N ATOM 815 CA ILE A 58 -3.683 1.569 1.690 1.00 0.00 C ATOM 816 C ILE A 58 -4.758 1.246 0.650 1.00 0.00 C ATOM 817 O ILE A 58 -5.750 0.589 0.962 1.00 0.00 O ATOM 818 CB ILE A 58 -2.644 0.460 1.866 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.612 0.839 2.930 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.987 0.106 0.530 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.161 -0.391 3.720 1.00 0.00 C ATOM 0 H ILE A 58 -5.018 1.199 3.261 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.132 2.434 1.321 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.157 -0.435 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.750 1.307 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.040 1.576 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.253 -0.685 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.749 -0.237 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.491 0.987 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.428 -0.093 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.022 -0.842 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.712 -1.115 3.040 1.00 0.00 H new ATOM 833 N PRO A 59 -4.518 1.735 -0.596 1.00 0.00 N ATOM 834 CA PRO A 59 -5.454 1.505 -1.683 1.00 0.00 C ATOM 835 C PRO A 59 -5.360 0.065 -2.192 1.00 0.00 C ATOM 836 O PRO A 59 -4.304 -0.366 -2.654 1.00 0.00 O ATOM 837 CB PRO A 59 -5.090 2.534 -2.741 1.00 0.00 C ATOM 838 CG PRO A 59 -3.678 2.990 -2.409 1.00 0.00 C ATOM 839 CD PRO A 59 -3.354 2.517 -1.002 1.00 0.00 C ATOM 0 HA PRO A 59 -6.493 1.621 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.136 2.100 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.785 3.373 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.966 2.578 -3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.602 4.075 -2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.447 1.913 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.188 3.359 -0.330 1.00 0.00 H new ATOM 847 N GLU A 60 -6.477 -0.639 -2.090 1.00 0.00 N ATOM 848 CA GLU A 60 -6.534 -2.022 -2.535 1.00 0.00 C ATOM 849 C GLU A 60 -6.300 -2.104 -4.045 1.00 0.00 C ATOM 850 O GLU A 60 -5.909 -3.150 -4.560 1.00 0.00 O ATOM 851 CB GLU A 60 -7.867 -2.667 -2.151 1.00 0.00 C ATOM 852 CG GLU A 60 -8.121 -3.931 -2.974 1.00 0.00 C ATOM 853 CD GLU A 60 -8.965 -4.937 -2.188 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.147 -4.615 -1.940 1.00 0.00 O ATOM 855 OE2 GLU A 60 -8.409 -6.005 -1.853 1.00 0.00 O ATOM 0 H GLU A 60 -7.350 -0.278 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.741 -2.577 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.863 -2.915 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.678 -1.956 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.631 -3.669 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.170 -4.386 -3.251 1.00 0.00 H new ATOM 862 N ASN A 61 -6.548 -0.986 -4.711 1.00 0.00 N ATOM 863 CA ASN A 61 -6.369 -0.919 -6.152 1.00 0.00 C ATOM 864 C ASN A 61 -4.933 -0.494 -6.463 1.00 0.00 C ATOM 865 O ASN A 61 -4.642 -0.042 -7.570 1.00 0.00 O ATOM 866 CB ASN A 61 -7.313 0.111 -6.776 1.00 0.00 C ATOM 867 CG ASN A 61 -8.760 -0.141 -6.349 1.00 0.00 C ATOM 868 OD1 ASN A 61 -9.457 -0.984 -6.890 1.00 0.00 O ATOM 869 ND2 ASN A 61 -9.172 0.634 -5.350 1.00 0.00 N ATOM 0 H ASN A 61 -6.871 -0.120 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.585 -1.904 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.011 1.115 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.238 0.067 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.123 0.542 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.537 1.320 -4.942 1.00 0.00 H new ATOM 876 N TYR A 62 -4.073 -0.653 -5.468 1.00 0.00 N ATOM 877 CA TYR A 62 -2.674 -0.292 -5.622 1.00 0.00 C ATOM 878 C TYR A 62 -1.764 -1.328 -4.959 1.00 0.00 C ATOM 879 O TYR A 62 -0.568 -1.094 -4.795 1.00 0.00 O ATOM 880 CB TYR A 62 -2.504 1.050 -4.908 1.00 0.00 C ATOM 881 CG TYR A 62 -2.070 2.194 -5.827 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.802 2.486 -6.959 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.944 2.933 -5.523 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.393 3.562 -7.824 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.535 4.009 -6.388 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.280 4.270 -7.496 1.00 0.00 C ATOM 887 OH TYR A 62 -0.893 5.287 -8.313 1.00 0.00 O ATOM 0 H TYR A 62 -4.318 -1.027 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.405 -0.241 -6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.447 1.318 -4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.766 0.936 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.682 1.907 -7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.370 2.704 -4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.958 3.801 -8.713 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.343 4.596 -6.162 1.00 0.00 H new ATOM 0 HH TYR A 62 0.022 5.557 -8.088 1.00 0.00 H new ATOM 897 N VAL A 63 -2.366 -2.451 -4.596 1.00 0.00 N ATOM 898 CA VAL A 63 -1.624 -3.523 -3.954 1.00 0.00 C ATOM 899 C VAL A 63 -1.914 -4.841 -4.676 1.00 0.00 C ATOM 900 O VAL A 63 -2.834 -4.918 -5.489 1.00 0.00 O ATOM 901 CB VAL A 63 -1.960 -3.572 -2.462 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.272 -2.434 -1.707 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.474 -3.541 -2.240 1.00 0.00 C ATOM 0 H VAL A 63 -3.358 -2.642 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.552 -3.342 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.582 -4.514 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.528 -2.492 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.192 -2.520 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.605 -1.477 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.686 -3.577 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.885 -2.623 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.931 -4.401 -2.730 1.00 0.00 H new ATOM 913 N GLU A 64 -1.113 -5.845 -4.352 1.00 0.00 N ATOM 914 CA GLU A 64 -1.272 -7.155 -4.960 1.00 0.00 C ATOM 915 C GLU A 64 -0.824 -8.249 -3.988 1.00 0.00 C ATOM 916 O GLU A 64 0.341 -8.642 -3.984 1.00 0.00 O ATOM 917 CB GLU A 64 -0.502 -7.245 -6.279 1.00 0.00 C ATOM 918 CG GLU A 64 -0.247 -8.703 -6.667 1.00 0.00 C ATOM 919 CD GLU A 64 -0.424 -8.909 -8.173 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.148 -8.093 -8.928 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.126 -9.877 -8.535 1.00 0.00 O ATOM 0 H GLU A 64 -0.352 -5.778 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.328 -7.304 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.066 -6.748 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.448 -6.718 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.763 -8.990 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.934 -9.353 -6.124 1.00 0.00 H new ATOM 928 N PHE A 65 -1.774 -8.709 -3.187 1.00 0.00 N ATOM 929 CA PHE A 65 -1.492 -9.749 -2.213 1.00 0.00 C ATOM 930 C PHE A 65 -0.584 -10.827 -2.808 1.00 0.00 C ATOM 931 O PHE A 65 -0.799 -11.273 -3.934 1.00 0.00 O ATOM 932 CB PHE A 65 -2.833 -10.382 -1.833 1.00 0.00 C ATOM 933 CG PHE A 65 -3.658 -9.549 -0.850 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.493 -9.719 0.490 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.555 -8.640 -1.315 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.258 -8.946 1.402 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.321 -7.867 -0.402 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.156 -8.036 0.937 1.00 0.00 C ATOM 0 H PHE A 65 -2.740 -8.380 -3.193 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.984 -9.321 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.418 -10.541 -2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.649 -11.364 -1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.780 -10.442 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.685 -8.505 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.127 -9.080 2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.034 -7.145 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.738 -7.448 1.631 1.00 0.00 H new ATOM 948 N LEU A 66 0.413 -11.214 -2.026 1.00 0.00 N ATOM 949 CA LEU A 66 1.355 -12.231 -2.462 1.00 0.00 C ATOM 950 C LEU A 66 0.975 -13.574 -1.836 1.00 0.00 C ATOM 951 O LEU A 66 0.749 -13.659 -0.630 1.00 0.00 O ATOM 952 CB LEU A 66 2.791 -11.796 -2.160 1.00 0.00 C ATOM 953 CG LEU A 66 3.099 -10.311 -2.367 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.800 -9.721 -1.141 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.905 -10.092 -3.649 1.00 0.00 C ATOM 0 H LEU A 66 0.589 -10.842 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 66 1.305 -12.358 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.018 -12.053 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.466 -12.378 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 66 2.155 -9.779 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.008 -8.665 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.156 -9.826 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.736 -10.251 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.110 -9.029 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.846 -10.638 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.333 -10.453 -4.504 1.00 0.00 H new ATOM 967 N SER A 67 0.917 -14.590 -2.684 1.00 0.00 N ATOM 968 CA SER A 67 0.568 -15.925 -2.228 1.00 0.00 C ATOM 969 C SER A 67 1.584 -16.940 -2.757 1.00 0.00 C ATOM 970 O SER A 67 2.187 -17.681 -1.982 1.00 0.00 O ATOM 971 CB SER A 67 -0.845 -16.308 -2.673 1.00 0.00 C ATOM 972 OG SER A 67 -1.226 -17.594 -2.194 1.00 0.00 O ATOM 0 H SER A 67 1.106 -14.516 -3.684 1.00 0.00 H new ATOM 0 HA SER A 67 0.590 -15.931 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.553 -15.562 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.898 -16.297 -3.762 1.00 0.00 H new ATOM 0 HG SER A 67 -2.134 -17.800 -2.498 1.00 0.00 H new ATOM 978 N GLY A 68 1.742 -16.942 -4.072 1.00 0.00 N ATOM 979 CA GLY A 68 2.674 -17.854 -4.713 1.00 0.00 C ATOM 980 C GLY A 68 4.084 -17.261 -4.749 1.00 0.00 C ATOM 981 O GLY A 68 4.255 -16.049 -4.628 1.00 0.00 O ATOM 0 H GLY A 68 1.240 -16.326 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.688 -18.802 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.339 -18.068 -5.728 1.00 0.00 H new ATOM 985 N PRO A 69 5.084 -18.167 -4.919 1.00 0.00 N ATOM 986 CA PRO A 69 6.474 -17.746 -4.972 1.00 0.00 C ATOM 987 C PRO A 69 6.796 -17.086 -6.314 1.00 0.00 C ATOM 988 O PRO A 69 6.561 -17.671 -7.370 1.00 0.00 O ATOM 989 CB PRO A 69 7.278 -19.012 -4.724 1.00 0.00 C ATOM 990 CG PRO A 69 6.331 -20.168 -5.004 1.00 0.00 C ATOM 991 CD PRO A 69 4.919 -19.610 -5.065 1.00 0.00 C ATOM 0 HA PRO A 69 6.712 -16.987 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.150 -19.055 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.645 -19.047 -3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.590 -20.654 -5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.409 -20.924 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.435 -19.860 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.297 -20.020 -4.270 1.00 0.00 H new ATOM 999 N SER A 70 7.330 -15.876 -6.229 1.00 0.00 N ATOM 1000 CA SER A 70 7.687 -15.130 -7.424 1.00 0.00 C ATOM 1001 C SER A 70 8.729 -14.063 -7.082 1.00 0.00 C ATOM 1002 O SER A 70 9.821 -14.054 -7.647 1.00 0.00 O ATOM 1003 CB SER A 70 6.454 -14.485 -8.059 1.00 0.00 C ATOM 1004 OG SER A 70 6.509 -14.517 -9.483 1.00 0.00 O ATOM 0 H SER A 70 7.524 -15.394 -5.351 1.00 0.00 H new ATOM 0 HA SER A 70 8.113 -15.825 -8.148 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.558 -15.004 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.371 -13.452 -7.722 1.00 0.00 H new ATOM 0 HG SER A 70 5.703 -14.097 -9.851 1.00 0.00 H new ATOM 1010 N SER A 71 8.354 -13.190 -6.159 1.00 0.00 N ATOM 1011 CA SER A 71 9.242 -12.120 -5.736 1.00 0.00 C ATOM 1012 C SER A 71 9.598 -11.232 -6.930 1.00 0.00 C ATOM 1013 O SER A 71 9.296 -11.572 -8.073 1.00 0.00 O ATOM 1014 CB SER A 71 10.512 -12.681 -5.094 1.00 0.00 C ATOM 1015 OG SER A 71 10.602 -12.351 -3.711 1.00 0.00 O ATOM 0 H SER A 71 7.447 -13.201 -5.692 1.00 0.00 H new ATOM 0 HA SER A 71 8.723 -11.520 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.528 -13.765 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.385 -12.291 -5.617 1.00 0.00 H new ATOM 0 HG SER A 71 11.426 -12.729 -3.337 1.00 0.00 H new ATOM 1021 N GLY A 72 10.235 -10.112 -6.624 1.00 0.00 N ATOM 1022 CA GLY A 72 10.636 -9.172 -7.658 1.00 0.00 C ATOM 1023 C GLY A 72 9.626 -8.030 -7.781 1.00 0.00 C ATOM 1024 O GLY A 72 9.638 -7.097 -6.980 1.00 0.00 O ATOM 0 H GLY A 72 10.484 -9.834 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.621 -8.768 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.722 -9.691 -8.613 1.00 0.00 H new TER 1028 GLY A 72