USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 682 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0207 (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 36:sc= 0.882 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.335 K(o=-0.33,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ 129:sc= -0.146 (180deg=-0.744) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 22 GLN : amide:sc= -0.086 K(o=-0.086,f=-1.5) USER MOD Single : A 24 GLN : amide:sc= -0.0815 K(o=-0.081,f=-4.6!) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00281) USER MOD Single : A 31 SER OG : rot -80:sc= -1.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 38:sc= 1.08 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.08! C(o=-1.1!,f=-3.7!) USER MOD Single : A 50 THR OG1 : rot -85:sc= -1.59! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 59 SER OG : rot 20:sc= 0.674 USER MOD Single : A 62 SER OG : rot 90:sc= 0.605 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.31! C(o=-3.3!,f=-5.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0352) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.221 -43.358 14.652 1.00 0.00 N ATOM 2 CA GLY A 1 -9.264 -42.732 13.859 1.00 0.00 C ATOM 3 C GLY A 1 -8.706 -41.896 12.725 1.00 0.00 C ATOM 4 O GLY A 1 -7.666 -42.225 12.154 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.436 -44.368 14.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.307 -43.254 14.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.172 -42.901 15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.918 -43.503 13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.877 -42.102 14.503 1.00 0.00 H new ATOM 8 N SER A 2 -9.400 -40.811 12.394 1.00 0.00 N ATOM 9 CA SER A 2 -8.971 -39.928 11.316 1.00 0.00 C ATOM 10 C SER A 2 -9.227 -38.469 11.675 1.00 0.00 C ATOM 11 O SER A 2 -9.819 -38.167 12.711 1.00 0.00 O ATOM 12 CB SER A 2 -9.701 -40.282 10.018 1.00 0.00 C ATOM 13 OG SER A 2 -9.018 -41.301 9.310 1.00 0.00 O ATOM 0 H SER A 2 -10.262 -40.523 12.857 1.00 0.00 H new ATOM 0 HA SER A 2 -7.899 -40.065 11.171 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.715 -40.610 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.786 -39.394 9.391 1.00 0.00 H new ATOM 0 HG SER A 2 -9.506 -41.510 8.486 1.00 0.00 H new ATOM 19 N SER A 3 -8.774 -37.565 10.812 1.00 0.00 N ATOM 20 CA SER A 3 -8.950 -36.135 11.038 1.00 0.00 C ATOM 21 C SER A 3 -9.460 -35.444 9.779 1.00 0.00 C ATOM 22 O SER A 3 -9.605 -36.069 8.729 1.00 0.00 O ATOM 23 CB SER A 3 -7.631 -35.502 11.482 1.00 0.00 C ATOM 24 OG SER A 3 -7.435 -35.653 12.878 1.00 0.00 O ATOM 0 H SER A 3 -8.282 -37.798 9.949 1.00 0.00 H new ATOM 0 HA SER A 3 -9.691 -36.006 11.827 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.803 -35.964 10.944 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.628 -34.443 11.224 1.00 0.00 H new ATOM 0 HG SER A 3 -6.584 -35.241 13.135 1.00 0.00 H new ATOM 30 N GLY A 4 -9.733 -34.146 9.892 1.00 0.00 N ATOM 31 CA GLY A 4 -10.224 -33.389 8.755 1.00 0.00 C ATOM 32 C GLY A 4 -9.409 -32.139 8.494 1.00 0.00 C ATOM 33 O GLY A 4 -8.517 -31.798 9.271 1.00 0.00 O ATOM 0 H GLY A 4 -9.623 -33.606 10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.208 -34.021 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.263 -33.111 8.929 1.00 0.00 H new ATOM 37 N SER A 5 -9.716 -31.452 7.399 1.00 0.00 N ATOM 38 CA SER A 5 -9.001 -30.234 7.034 1.00 0.00 C ATOM 39 C SER A 5 -9.978 -29.103 6.728 1.00 0.00 C ATOM 40 O SER A 5 -10.654 -29.113 5.699 1.00 0.00 O ATOM 41 CB SER A 5 -8.101 -30.487 5.825 1.00 0.00 C ATOM 42 OG SER A 5 -8.866 -30.818 4.679 1.00 0.00 O ATOM 0 H SER A 5 -10.455 -31.718 6.748 1.00 0.00 H new ATOM 0 HA SER A 5 -8.382 -29.938 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.502 -29.599 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.406 -31.297 6.048 1.00 0.00 H new ATOM 0 HG SER A 5 -9.698 -30.301 4.681 1.00 0.00 H new ATOM 48 N SER A 6 -10.046 -28.128 7.629 1.00 0.00 N ATOM 49 CA SER A 6 -10.942 -26.990 7.458 1.00 0.00 C ATOM 50 C SER A 6 -10.670 -26.279 6.136 1.00 0.00 C ATOM 51 O SER A 6 -9.582 -26.386 5.572 1.00 0.00 O ATOM 52 CB SER A 6 -10.783 -26.009 8.621 1.00 0.00 C ATOM 53 OG SER A 6 -11.283 -26.562 9.826 1.00 0.00 O ATOM 0 H SER A 6 -9.491 -28.103 8.485 1.00 0.00 H new ATOM 0 HA SER A 6 -11.966 -27.364 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.731 -25.753 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.312 -25.083 8.395 1.00 0.00 H new ATOM 0 HG SER A 6 -11.168 -25.917 10.554 1.00 0.00 H new ATOM 59 N GLY A 7 -11.668 -25.548 5.648 1.00 0.00 N ATOM 60 CA GLY A 7 -11.518 -24.829 4.397 1.00 0.00 C ATOM 61 C GLY A 7 -12.175 -23.463 4.430 1.00 0.00 C ATOM 62 O GLY A 7 -12.892 -23.134 5.375 1.00 0.00 O ATOM 0 H GLY A 7 -12.578 -25.441 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.458 -24.713 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.952 -25.418 3.589 1.00 0.00 H new ATOM 66 N ALA A 8 -11.928 -22.664 3.397 1.00 0.00 N ATOM 67 CA ALA A 8 -12.502 -21.326 3.313 1.00 0.00 C ATOM 68 C ALA A 8 -13.835 -21.346 2.574 1.00 0.00 C ATOM 69 O ALA A 8 -14.131 -22.283 1.832 1.00 0.00 O ATOM 70 CB ALA A 8 -11.529 -20.378 2.625 1.00 0.00 C ATOM 0 H ALA A 8 -11.335 -22.919 2.607 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.684 -20.971 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.969 -19.383 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.601 -20.332 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.319 -20.740 1.618 1.00 0.00 H new ATOM 76 N TYR A 9 -14.637 -20.308 2.782 1.00 0.00 N ATOM 77 CA TYR A 9 -15.941 -20.208 2.138 1.00 0.00 C ATOM 78 C TYR A 9 -15.801 -19.741 0.692 1.00 0.00 C ATOM 79 O TYR A 9 -14.869 -19.020 0.334 1.00 0.00 O ATOM 80 CB TYR A 9 -16.843 -19.244 2.911 1.00 0.00 C ATOM 81 CG TYR A 9 -16.237 -17.874 3.109 1.00 0.00 C ATOM 82 CD1 TYR A 9 -15.416 -17.605 4.197 1.00 0.00 C ATOM 83 CD2 TYR A 9 -16.484 -16.847 2.205 1.00 0.00 C ATOM 84 CE1 TYR A 9 -14.860 -16.354 4.381 1.00 0.00 C ATOM 85 CE2 TYR A 9 -15.931 -15.593 2.381 1.00 0.00 C ATOM 86 CZ TYR A 9 -15.122 -15.351 3.471 1.00 0.00 C ATOM 87 OH TYR A 9 -14.569 -14.103 3.650 1.00 0.00 O ATOM 0 H TYR A 9 -14.407 -19.524 3.392 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.394 -21.199 2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -17.789 -19.140 2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -17.071 -19.676 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.209 -18.388 4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -17.119 -17.032 1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.224 -16.162 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -16.131 -14.807 1.668 1.00 0.00 H new ATOM 0 HH TYR A 9 -14.851 -13.512 2.921 1.00 0.00 H new ATOM 97 N PRO A 10 -16.749 -20.160 -0.159 1.00 0.00 N ATOM 98 CA PRO A 10 -16.755 -19.794 -1.579 1.00 0.00 C ATOM 99 C PRO A 10 -17.070 -18.319 -1.798 1.00 0.00 C ATOM 100 O PRO A 10 -18.209 -17.885 -1.616 1.00 0.00 O ATOM 101 CB PRO A 10 -17.864 -20.672 -2.166 1.00 0.00 C ATOM 102 CG PRO A 10 -18.770 -20.957 -1.017 1.00 0.00 C ATOM 103 CD PRO A 10 -17.889 -21.020 0.200 1.00 0.00 C ATOM 0 HA PRO A 10 -15.781 -19.946 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.393 -20.158 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.459 -21.592 -2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.525 -20.177 -0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.301 -21.897 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -18.404 -20.654 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.571 -22.040 0.413 1.00 0.00 H new ATOM 111 N ASP A 11 -16.059 -17.554 -2.189 1.00 0.00 N ATOM 112 CA ASP A 11 -16.231 -16.126 -2.435 1.00 0.00 C ATOM 113 C ASP A 11 -15.478 -15.696 -3.690 1.00 0.00 C ATOM 114 O ASP A 11 -14.390 -16.196 -3.976 1.00 0.00 O ATOM 115 CB ASP A 11 -15.744 -15.318 -1.231 1.00 0.00 C ATOM 116 CG ASP A 11 -14.271 -14.966 -1.327 1.00 0.00 C ATOM 117 OD1 ASP A 11 -13.454 -15.885 -1.539 1.00 0.00 O ATOM 118 OD2 ASP A 11 -13.939 -13.770 -1.192 1.00 0.00 O ATOM 0 H ASP A 11 -15.111 -17.897 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 11 -17.293 -15.934 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.329 -14.402 -1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.920 -15.889 -0.319 1.00 0.00 H new ATOM 123 N PHE A 12 -16.065 -14.768 -4.437 1.00 0.00 N ATOM 124 CA PHE A 12 -15.451 -14.272 -5.664 1.00 0.00 C ATOM 125 C PHE A 12 -14.384 -13.227 -5.354 1.00 0.00 C ATOM 126 O PHE A 12 -14.322 -12.699 -4.243 1.00 0.00 O ATOM 127 CB PHE A 12 -16.515 -13.675 -6.585 1.00 0.00 C ATOM 128 CG PHE A 12 -17.418 -12.689 -5.900 1.00 0.00 C ATOM 129 CD1 PHE A 12 -18.531 -13.123 -5.198 1.00 0.00 C ATOM 130 CD2 PHE A 12 -17.155 -11.331 -5.957 1.00 0.00 C ATOM 131 CE1 PHE A 12 -19.365 -12.220 -4.567 1.00 0.00 C ATOM 132 CE2 PHE A 12 -17.983 -10.423 -5.327 1.00 0.00 C ATOM 133 CZ PHE A 12 -19.091 -10.867 -4.630 1.00 0.00 C ATOM 0 H PHE A 12 -16.965 -14.344 -4.215 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.974 -15.112 -6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.023 -13.183 -7.424 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.119 -14.482 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -18.749 -14.179 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.292 -10.977 -6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -20.230 -12.571 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -17.765 -9.367 -5.379 1.00 0.00 H new ATOM 0 HZ PHE A 12 -19.740 -10.159 -4.136 1.00 0.00 H new ATOM 143 N ALA A 13 -13.547 -12.932 -6.343 1.00 0.00 N ATOM 144 CA ALA A 13 -12.484 -11.949 -6.177 1.00 0.00 C ATOM 145 C ALA A 13 -13.051 -10.537 -6.093 1.00 0.00 C ATOM 146 O ALA A 13 -13.996 -10.177 -6.797 1.00 0.00 O ATOM 147 CB ALA A 13 -11.487 -12.052 -7.321 1.00 0.00 C ATOM 0 H ALA A 13 -13.585 -13.360 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.969 -12.162 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.698 -11.312 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.050 -13.050 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.998 -11.868 -8.266 1.00 0.00 H new ATOM 153 N PRO A 14 -12.465 -9.714 -5.211 1.00 0.00 N ATOM 154 CA PRO A 14 -12.896 -8.327 -5.013 1.00 0.00 C ATOM 155 C PRO A 14 -12.563 -7.441 -6.209 1.00 0.00 C ATOM 156 O PRO A 14 -11.956 -7.894 -7.178 1.00 0.00 O ATOM 157 CB PRO A 14 -12.106 -7.881 -3.781 1.00 0.00 C ATOM 158 CG PRO A 14 -10.896 -8.753 -3.771 1.00 0.00 C ATOM 159 CD PRO A 14 -11.334 -10.074 -4.338 1.00 0.00 C ATOM 0 HA PRO A 14 -13.977 -8.249 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.834 -6.827 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.691 -8.005 -2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.096 -8.317 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.509 -8.872 -2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.533 -10.556 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.637 -10.767 -3.553 1.00 0.00 H new ATOM 167 N GLN A 15 -12.965 -6.175 -6.132 1.00 0.00 N ATOM 168 CA GLN A 15 -12.709 -5.227 -7.210 1.00 0.00 C ATOM 169 C GLN A 15 -11.244 -4.804 -7.225 1.00 0.00 C ATOM 170 O GLN A 15 -10.599 -4.720 -6.180 1.00 0.00 O ATOM 171 CB GLN A 15 -13.605 -3.998 -7.057 1.00 0.00 C ATOM 172 CG GLN A 15 -15.083 -4.293 -7.255 1.00 0.00 C ATOM 173 CD GLN A 15 -15.462 -4.415 -8.718 1.00 0.00 C ATOM 174 OE1 GLN A 15 -14.666 -4.864 -9.543 1.00 0.00 O ATOM 175 NE2 GLN A 15 -16.685 -4.015 -9.049 1.00 0.00 N ATOM 0 H GLN A 15 -13.468 -5.784 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.936 -5.719 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.458 -3.573 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.295 -3.241 -7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.337 -5.219 -6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.673 -3.500 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.313 -3.649 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.996 -4.074 -10.019 1.00 0.00 H new ATOM 184 N LYS A 16 -10.722 -4.539 -8.418 1.00 0.00 N ATOM 185 CA LYS A 16 -9.333 -4.125 -8.572 1.00 0.00 C ATOM 186 C LYS A 16 -8.925 -3.166 -7.458 1.00 0.00 C ATOM 187 O LYS A 16 -7.895 -3.354 -6.809 1.00 0.00 O ATOM 188 CB LYS A 16 -9.126 -3.460 -9.934 1.00 0.00 C ATOM 189 CG LYS A 16 -8.714 -4.429 -11.029 1.00 0.00 C ATOM 190 CD LYS A 16 -9.906 -5.203 -11.564 1.00 0.00 C ATOM 191 CE LYS A 16 -9.469 -6.470 -12.284 1.00 0.00 C ATOM 192 NZ LYS A 16 -8.748 -7.404 -11.373 1.00 0.00 N ATOM 0 H LYS A 16 -11.241 -4.604 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.705 -5.014 -8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.050 -2.962 -10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.364 -2.687 -9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.240 -3.880 -11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.971 -5.126 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.572 -5.462 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.474 -4.572 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.343 -6.971 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.822 -6.208 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.170 -8.352 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.745 -7.450 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.825 -7.063 -10.394 1.00 0.00 H new ATOM 206 N PHE A 17 -9.738 -2.138 -7.241 1.00 0.00 N ATOM 207 CA PHE A 17 -9.463 -1.150 -6.205 1.00 0.00 C ATOM 208 C PHE A 17 -10.539 -1.180 -5.124 1.00 0.00 C ATOM 209 O PHE A 17 -11.723 -1.361 -5.414 1.00 0.00 O ATOM 210 CB PHE A 17 -9.376 0.250 -6.817 1.00 0.00 C ATOM 211 CG PHE A 17 -8.672 1.246 -5.938 1.00 0.00 C ATOM 212 CD1 PHE A 17 -7.306 1.157 -5.725 1.00 0.00 C ATOM 213 CD2 PHE A 17 -9.377 2.268 -5.324 1.00 0.00 C ATOM 214 CE1 PHE A 17 -6.655 2.070 -4.918 1.00 0.00 C ATOM 215 CE2 PHE A 17 -8.732 3.186 -4.516 1.00 0.00 C ATOM 216 CZ PHE A 17 -7.369 3.085 -4.312 1.00 0.00 C ATOM 0 H PHE A 17 -10.594 -1.967 -7.769 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.506 -1.398 -5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.855 0.188 -7.772 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.383 0.610 -7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.743 0.364 -6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.443 2.349 -5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.589 1.990 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.292 3.980 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.863 3.799 -3.679 1.00 0.00 H new ATOM 226 N LYS A 18 -10.122 -1.000 -3.875 1.00 0.00 N ATOM 227 CA LYS A 18 -11.048 -1.006 -2.750 1.00 0.00 C ATOM 228 C LYS A 18 -10.605 -0.018 -1.677 1.00 0.00 C ATOM 229 O LYS A 18 -9.410 0.199 -1.476 1.00 0.00 O ATOM 230 CB LYS A 18 -11.148 -2.412 -2.153 1.00 0.00 C ATOM 231 CG LYS A 18 -12.305 -2.579 -1.182 1.00 0.00 C ATOM 232 CD LYS A 18 -13.623 -2.776 -1.913 1.00 0.00 C ATOM 233 CE LYS A 18 -14.810 -2.575 -0.985 1.00 0.00 C ATOM 234 NZ LYS A 18 -15.994 -3.367 -1.419 1.00 0.00 N ATOM 0 H LYS A 18 -9.147 -0.848 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.029 -0.703 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.256 -3.134 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.216 -2.647 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.116 -3.435 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.372 -1.701 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.687 -2.075 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.658 -3.779 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.532 -2.864 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.072 -1.517 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.782 -3.203 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.276 -3.074 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.752 -4.378 -1.424 1.00 0.00 H new ATOM 248 N GLU A 19 -11.575 0.577 -0.989 1.00 0.00 N ATOM 249 CA GLU A 19 -11.283 1.543 0.064 1.00 0.00 C ATOM 250 C GLU A 19 -10.703 0.848 1.293 1.00 0.00 C ATOM 251 O GLU A 19 -11.236 -0.159 1.761 1.00 0.00 O ATOM 252 CB GLU A 19 -12.550 2.310 0.449 1.00 0.00 C ATOM 253 CG GLU A 19 -12.780 3.561 -0.380 1.00 0.00 C ATOM 254 CD GLU A 19 -14.150 4.170 -0.150 1.00 0.00 C ATOM 255 OE1 GLU A 19 -15.132 3.661 -0.727 1.00 0.00 O ATOM 256 OE2 GLU A 19 -14.237 5.158 0.609 1.00 0.00 O ATOM 0 H GLU A 19 -12.569 0.407 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.543 2.247 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.411 1.650 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.491 2.588 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.014 4.298 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.667 3.318 -1.437 1.00 0.00 H new ATOM 263 N LYS A 20 -9.606 1.391 1.809 1.00 0.00 N ATOM 264 CA LYS A 20 -8.952 0.827 2.985 1.00 0.00 C ATOM 265 C LYS A 20 -9.664 1.255 4.263 1.00 0.00 C ATOM 266 O LYS A 20 -9.883 2.445 4.496 1.00 0.00 O ATOM 267 CB LYS A 20 -7.486 1.262 3.034 1.00 0.00 C ATOM 268 CG LYS A 20 -6.681 0.829 1.820 1.00 0.00 C ATOM 269 CD LYS A 20 -5.195 1.081 2.019 1.00 0.00 C ATOM 270 CE LYS A 20 -4.434 0.991 0.704 1.00 0.00 C ATOM 271 NZ LYS A 20 -4.508 2.264 -0.066 1.00 0.00 N ATOM 0 H LYS A 20 -9.150 2.222 1.431 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.001 -0.259 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.441 2.348 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.024 0.851 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.849 -0.231 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.028 1.370 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.048 2.067 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.793 0.354 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.391 0.747 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.842 0.178 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.978 2.163 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.502 2.484 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.096 3.035 0.497 1.00 0.00 H new ATOM 285 N THR A 21 -10.023 0.279 5.091 1.00 0.00 N ATOM 286 CA THR A 21 -10.711 0.555 6.346 1.00 0.00 C ATOM 287 C THR A 21 -9.717 0.780 7.479 1.00 0.00 C ATOM 288 O THR A 21 -8.530 0.481 7.344 1.00 0.00 O ATOM 289 CB THR A 21 -11.658 -0.595 6.732 1.00 0.00 C ATOM 290 OG1 THR A 21 -12.464 -0.212 7.851 1.00 0.00 O ATOM 291 CG2 THR A 21 -10.873 -1.853 7.073 1.00 0.00 C ATOM 0 H THR A 21 -9.848 -0.710 4.915 1.00 0.00 H new ATOM 0 HA THR A 21 -11.296 1.462 6.193 1.00 0.00 H new ATOM 0 HB THR A 21 -12.301 -0.808 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 21 -13.065 -0.949 8.089 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.564 -2.651 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.284 -2.160 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.208 -1.650 7.912 1.00 0.00 H new ATOM 299 N GLN A 22 -10.208 1.310 8.594 1.00 0.00 N ATOM 300 CA GLN A 22 -9.360 1.576 9.751 1.00 0.00 C ATOM 301 C GLN A 22 -8.393 0.422 9.993 1.00 0.00 C ATOM 302 O GLN A 22 -7.195 0.632 10.180 1.00 0.00 O ATOM 303 CB GLN A 22 -10.219 1.807 10.995 1.00 0.00 C ATOM 304 CG GLN A 22 -11.128 0.636 11.335 1.00 0.00 C ATOM 305 CD GLN A 22 -12.378 1.064 12.078 1.00 0.00 C ATOM 306 OE1 GLN A 22 -12.512 2.222 12.476 1.00 0.00 O ATOM 307 NE2 GLN A 22 -13.302 0.130 12.268 1.00 0.00 N ATOM 0 H GLN A 22 -11.188 1.564 8.721 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.779 2.475 9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.566 2.008 11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.829 2.698 10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.414 0.124 10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.577 -0.082 11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.149 -0.817 11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.165 0.359 12.761 1.00 0.00 H new ATOM 316 N GLY A 23 -8.922 -0.799 9.990 1.00 0.00 N ATOM 317 CA GLY A 23 -8.090 -1.967 10.211 1.00 0.00 C ATOM 318 C GLY A 23 -6.895 -2.013 9.282 1.00 0.00 C ATOM 319 O GLY A 23 -5.751 -1.914 9.727 1.00 0.00 O ATOM 0 H GLY A 23 -9.911 -0.999 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.743 -1.971 11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.689 -2.867 10.072 1.00 0.00 H new ATOM 323 N GLN A 24 -7.158 -2.164 7.988 1.00 0.00 N ATOM 324 CA GLN A 24 -6.092 -2.224 6.994 1.00 0.00 C ATOM 325 C GLN A 24 -5.018 -1.182 7.283 1.00 0.00 C ATOM 326 O GLN A 24 -3.836 -1.507 7.396 1.00 0.00 O ATOM 327 CB GLN A 24 -6.663 -2.011 5.590 1.00 0.00 C ATOM 328 CG GLN A 24 -7.706 -3.043 5.196 1.00 0.00 C ATOM 329 CD GLN A 24 -8.387 -2.710 3.882 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.600 -2.501 3.833 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.609 -2.660 2.806 1.00 0.00 N ATOM 0 H GLN A 24 -8.099 -2.247 7.603 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.635 -3.212 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.108 -1.017 5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.847 -2.036 4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.232 -4.022 5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.457 -3.114 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.609 -2.840 2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.012 -2.442 1.895 1.00 0.00 H new ATOM 340 N VAL A 25 -5.437 0.076 7.402 1.00 0.00 N ATOM 341 CA VAL A 25 -4.511 1.167 7.677 1.00 0.00 C ATOM 342 C VAL A 25 -3.714 0.902 8.951 1.00 0.00 C ATOM 343 O VAL A 25 -2.503 1.121 8.996 1.00 0.00 O ATOM 344 CB VAL A 25 -5.251 2.510 7.818 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.275 3.625 8.155 1.00 0.00 C ATOM 346 CG2 VAL A 25 -6.020 2.829 6.544 1.00 0.00 C ATOM 0 H VAL A 25 -6.412 0.363 7.312 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.829 1.225 6.829 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.966 2.428 8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.817 4.566 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.774 3.398 9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.534 3.712 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.537 3.781 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.326 2.893 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.749 2.041 6.352 1.00 0.00 H new ATOM 356 N LYS A 26 -4.403 0.432 9.985 1.00 0.00 N ATOM 357 CA LYS A 26 -3.762 0.135 11.261 1.00 0.00 C ATOM 358 C LYS A 26 -2.644 -0.888 11.084 1.00 0.00 C ATOM 359 O LYS A 26 -1.560 -0.741 11.649 1.00 0.00 O ATOM 360 CB LYS A 26 -4.792 -0.389 12.264 1.00 0.00 C ATOM 361 CG LYS A 26 -4.202 -0.727 13.622 1.00 0.00 C ATOM 362 CD LYS A 26 -4.119 0.500 14.515 1.00 0.00 C ATOM 363 CE LYS A 26 -5.481 0.869 15.082 1.00 0.00 C ATOM 364 NZ LYS A 26 -5.866 -0.012 16.220 1.00 0.00 N ATOM 0 H LYS A 26 -5.406 0.248 9.965 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.328 1.059 11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.574 0.359 12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.267 -1.279 11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.813 -1.489 14.106 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.206 -1.151 13.492 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.423 0.310 15.332 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.721 1.340 13.945 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.467 1.907 15.415 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.233 0.797 14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.901 -0.104 16.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.439 -0.951 16.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.527 0.404 17.111 1.00 0.00 H new ATOM 378 N ILE A 27 -2.914 -1.922 10.293 1.00 0.00 N ATOM 379 CA ILE A 27 -1.930 -2.966 10.040 1.00 0.00 C ATOM 380 C ILE A 27 -0.693 -2.401 9.348 1.00 0.00 C ATOM 381 O ILE A 27 0.433 -2.804 9.641 1.00 0.00 O ATOM 382 CB ILE A 27 -2.518 -4.094 9.172 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.720 -4.732 9.872 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.456 -5.143 8.875 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.661 -5.445 8.927 1.00 0.00 C ATOM 0 H ILE A 27 -3.806 -2.058 9.817 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.646 -3.374 11.010 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.854 -3.667 8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.361 -5.441 10.618 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.272 -3.959 10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.887 -5.933 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.626 -4.680 8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.093 -5.568 9.811 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.489 -5.873 9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.049 -4.736 8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.124 -6.241 8.411 1.00 0.00 H new ATOM 397 N LEU A 28 -0.911 -1.463 8.433 1.00 0.00 N ATOM 398 CA LEU A 28 0.185 -0.840 7.701 1.00 0.00 C ATOM 399 C LEU A 28 0.947 0.137 8.590 1.00 0.00 C ATOM 400 O LEU A 28 2.149 -0.018 8.811 1.00 0.00 O ATOM 401 CB LEU A 28 -0.348 -0.112 6.466 1.00 0.00 C ATOM 402 CG LEU A 28 -1.174 -0.956 5.494 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.769 -0.083 4.401 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.320 -2.062 4.889 1.00 0.00 C ATOM 0 H LEU A 28 -1.837 -1.117 8.181 1.00 0.00 H new ATOM 0 HA LEU A 28 0.870 -1.626 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.960 0.726 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.499 0.308 5.923 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.992 -1.417 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.353 -0.701 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.414 0.672 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.967 0.407 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.924 -2.652 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.518 -1.621 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.058 -2.706 5.683 1.00 0.00 H new ATOM 416 N GLU A 29 0.241 1.143 9.098 1.00 0.00 N ATOM 417 CA GLU A 29 0.853 2.143 9.965 1.00 0.00 C ATOM 418 C GLU A 29 1.843 1.497 10.929 1.00 0.00 C ATOM 419 O GLU A 29 2.992 1.925 11.036 1.00 0.00 O ATOM 420 CB GLU A 29 -0.224 2.896 10.750 1.00 0.00 C ATOM 421 CG GLU A 29 -0.778 4.106 10.017 1.00 0.00 C ATOM 422 CD GLU A 29 -1.234 5.200 10.962 1.00 0.00 C ATOM 423 OE1 GLU A 29 -0.427 5.622 11.816 1.00 0.00 O ATOM 424 OE2 GLU A 29 -2.399 5.637 10.846 1.00 0.00 O ATOM 0 H GLU A 29 -0.754 1.287 8.924 1.00 0.00 H new ATOM 0 HA GLU A 29 1.395 2.849 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.042 2.212 10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.193 3.219 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.014 4.503 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.617 3.796 9.394 1.00 0.00 H new ATOM 431 N ASP A 30 1.388 0.464 11.629 1.00 0.00 N ATOM 432 CA ASP A 30 2.234 -0.243 12.585 1.00 0.00 C ATOM 433 C ASP A 30 3.444 -0.857 11.889 1.00 0.00 C ATOM 434 O ASP A 30 4.549 -0.862 12.432 1.00 0.00 O ATOM 435 CB ASP A 30 1.432 -1.334 13.297 1.00 0.00 C ATOM 436 CG ASP A 30 2.018 -1.695 14.648 1.00 0.00 C ATOM 437 OD1 ASP A 30 1.900 -0.874 15.582 1.00 0.00 O ATOM 438 OD2 ASP A 30 2.593 -2.796 14.771 1.00 0.00 O ATOM 0 H ASP A 30 0.439 0.097 11.553 1.00 0.00 H new ATOM 0 HA ASP A 30 2.588 0.477 13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.404 -0.998 13.428 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.398 -2.224 12.669 1.00 0.00 H new ATOM 443 N SER A 31 3.228 -1.376 10.684 1.00 0.00 N ATOM 444 CA SER A 31 4.301 -1.998 9.916 1.00 0.00 C ATOM 445 C SER A 31 5.338 -0.961 9.494 1.00 0.00 C ATOM 446 O SER A 31 6.540 -1.231 9.498 1.00 0.00 O ATOM 447 CB SER A 31 3.732 -2.699 8.682 1.00 0.00 C ATOM 448 OG SER A 31 4.640 -3.665 8.180 1.00 0.00 O ATOM 0 H SER A 31 2.320 -1.378 10.219 1.00 0.00 H new ATOM 0 HA SER A 31 4.789 -2.737 10.552 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.788 -3.180 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.516 -1.962 7.909 1.00 0.00 H new ATOM 0 HG SER A 31 5.330 -3.219 7.646 1.00 0.00 H new ATOM 454 N PHE A 32 4.864 0.225 9.131 1.00 0.00 N ATOM 455 CA PHE A 32 5.749 1.304 8.704 1.00 0.00 C ATOM 456 C PHE A 32 6.436 1.950 9.904 1.00 0.00 C ATOM 457 O PHE A 32 7.663 1.935 10.013 1.00 0.00 O ATOM 458 CB PHE A 32 4.962 2.359 7.925 1.00 0.00 C ATOM 459 CG PHE A 32 5.835 3.351 7.210 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.629 2.955 6.145 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.863 4.680 7.604 1.00 0.00 C ATOM 462 CE1 PHE A 32 7.433 3.866 5.486 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.665 5.595 6.947 1.00 0.00 C ATOM 464 CZ PHE A 32 7.452 5.186 5.889 1.00 0.00 C ATOM 0 H PHE A 32 3.873 0.465 9.124 1.00 0.00 H new ATOM 0 HA PHE A 32 6.514 0.878 8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.322 1.860 7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.307 2.893 8.613 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.619 1.923 5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.252 5.004 8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.046 3.545 4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.676 6.628 7.261 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.082 5.898 5.377 1.00 0.00 H new ATOM 474 N LEU A 33 5.637 2.516 10.801 1.00 0.00 N ATOM 475 CA LEU A 33 6.168 3.168 11.994 1.00 0.00 C ATOM 476 C LEU A 33 7.265 2.325 12.633 1.00 0.00 C ATOM 477 O LEU A 33 8.214 2.856 13.212 1.00 0.00 O ATOM 478 CB LEU A 33 5.046 3.416 13.004 1.00 0.00 C ATOM 479 CG LEU A 33 3.997 4.454 12.601 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.726 4.272 13.416 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.547 5.863 12.776 1.00 0.00 C ATOM 0 H LEU A 33 4.620 2.537 10.726 1.00 0.00 H new ATOM 0 HA LEU A 33 6.598 4.124 11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.538 2.470 13.192 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.495 3.730 13.946 1.00 0.00 H new ATOM 0 HG LEU A 33 3.754 4.308 11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.991 5.019 13.116 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.322 3.275 13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.953 4.392 14.475 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.788 6.589 12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.818 6.021 13.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.429 5.990 12.149 1.00 0.00 H new ATOM 493 N LYS A 34 7.132 1.008 12.523 1.00 0.00 N ATOM 494 CA LYS A 34 8.114 0.088 13.087 1.00 0.00 C ATOM 495 C LYS A 34 9.276 -0.126 12.122 1.00 0.00 C ATOM 496 O LYS A 34 10.414 -0.331 12.542 1.00 0.00 O ATOM 497 CB LYS A 34 7.456 -1.253 13.418 1.00 0.00 C ATOM 498 CG LYS A 34 7.223 -2.131 12.200 1.00 0.00 C ATOM 499 CD LYS A 34 6.878 -3.557 12.598 1.00 0.00 C ATOM 500 CE LYS A 34 7.244 -4.546 11.503 1.00 0.00 C ATOM 501 NZ LYS A 34 7.158 -5.955 11.977 1.00 0.00 N ATOM 0 H LYS A 34 6.353 0.553 12.048 1.00 0.00 H new ATOM 0 HA LYS A 34 8.504 0.529 14.004 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.083 -1.791 14.129 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.502 -1.068 13.911 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.415 -1.714 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.116 -2.133 11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.405 -3.817 13.516 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.812 -3.628 12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.578 -4.408 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.256 -4.342 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.415 -6.598 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.812 -6.094 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.187 -6.158 12.288 1.00 0.00 H new ATOM 515 N SER A 35 8.979 -0.076 10.828 1.00 0.00 N ATOM 516 CA SER A 35 9.999 -0.268 9.802 1.00 0.00 C ATOM 517 C SER A 35 9.569 0.367 8.482 1.00 0.00 C ATOM 518 O SER A 35 8.754 -0.194 7.749 1.00 0.00 O ATOM 519 CB SER A 35 10.274 -1.758 9.599 1.00 0.00 C ATOM 520 OG SER A 35 9.125 -2.428 9.113 1.00 0.00 O ATOM 0 H SER A 35 8.042 0.096 10.464 1.00 0.00 H new ATOM 0 HA SER A 35 10.914 0.220 10.138 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.098 -1.886 8.897 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.587 -2.205 10.543 1.00 0.00 H new ATOM 0 HG SER A 35 8.655 -1.851 8.476 1.00 0.00 H new ATOM 526 N SER A 36 10.122 1.538 8.187 1.00 0.00 N ATOM 527 CA SER A 36 9.792 2.251 6.960 1.00 0.00 C ATOM 528 C SER A 36 9.932 1.336 5.746 1.00 0.00 C ATOM 529 O SER A 36 9.089 1.343 4.849 1.00 0.00 O ATOM 530 CB SER A 36 10.699 3.474 6.796 1.00 0.00 C ATOM 531 OG SER A 36 10.852 4.161 8.026 1.00 0.00 O ATOM 0 H SER A 36 10.801 2.013 8.781 1.00 0.00 H new ATOM 0 HA SER A 36 8.756 2.581 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.675 3.160 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.277 4.147 6.050 1.00 0.00 H new ATOM 0 HG SER A 36 11.436 4.937 7.897 1.00 0.00 H new ATOM 537 N PHE A 37 11.002 0.550 5.727 1.00 0.00 N ATOM 538 CA PHE A 37 11.256 -0.371 4.624 1.00 0.00 C ATOM 539 C PHE A 37 11.006 -1.814 5.053 1.00 0.00 C ATOM 540 O PHE A 37 11.826 -2.438 5.728 1.00 0.00 O ATOM 541 CB PHE A 37 12.693 -0.217 4.121 1.00 0.00 C ATOM 542 CG PHE A 37 12.838 0.798 3.024 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.890 2.150 3.315 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.922 0.397 1.700 1.00 0.00 C ATOM 545 CE1 PHE A 37 13.025 3.087 2.308 1.00 0.00 C ATOM 546 CE2 PHE A 37 13.056 1.328 0.688 1.00 0.00 C ATOM 547 CZ PHE A 37 13.109 2.675 0.992 1.00 0.00 C ATOM 0 H PHE A 37 11.708 0.531 6.463 1.00 0.00 H new ATOM 0 HA PHE A 37 10.569 -0.127 3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.333 0.068 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.049 -1.182 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.824 2.477 4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.882 -0.654 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.065 4.139 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 37 13.119 1.003 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.216 3.404 0.202 1.00 0.00 H new ATOM 557 N PRO A 38 9.846 -2.358 4.653 1.00 0.00 N ATOM 558 CA PRO A 38 9.461 -3.732 4.985 1.00 0.00 C ATOM 559 C PRO A 38 10.311 -4.765 4.251 1.00 0.00 C ATOM 560 O PRO A 38 11.233 -4.416 3.513 1.00 0.00 O ATOM 561 CB PRO A 38 8.005 -3.814 4.523 1.00 0.00 C ATOM 562 CG PRO A 38 7.887 -2.781 3.456 1.00 0.00 C ATOM 563 CD PRO A 38 8.822 -1.672 3.848 1.00 0.00 C ATOM 0 HA PRO A 38 9.599 -3.949 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.766 -4.807 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.317 -3.615 5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.156 -3.192 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.862 -2.418 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.257 -1.185 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.311 -0.899 4.422 1.00 0.00 H new ATOM 571 N THR A 39 9.994 -6.039 4.458 1.00 0.00 N ATOM 572 CA THR A 39 10.728 -7.123 3.817 1.00 0.00 C ATOM 573 C THR A 39 9.778 -8.184 3.274 1.00 0.00 C ATOM 574 O THR A 39 8.644 -8.308 3.733 1.00 0.00 O ATOM 575 CB THR A 39 11.717 -7.787 4.795 1.00 0.00 C ATOM 576 OG1 THR A 39 12.612 -8.646 4.078 1.00 0.00 O ATOM 577 CG2 THR A 39 10.976 -8.588 5.854 1.00 0.00 C ATOM 0 H THR A 39 9.234 -6.346 5.065 1.00 0.00 H new ATOM 0 HA THR A 39 11.286 -6.682 2.991 1.00 0.00 H new ATOM 0 HB THR A 39 12.287 -7.001 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.238 -9.063 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.695 -9.047 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.318 -7.926 6.417 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.383 -9.366 5.373 1.00 0.00 H new ATOM 585 N GLN A 40 10.251 -8.950 2.295 1.00 0.00 N ATOM 586 CA GLN A 40 9.444 -10.001 1.690 1.00 0.00 C ATOM 587 C GLN A 40 8.524 -10.643 2.723 1.00 0.00 C ATOM 588 O GLN A 40 7.307 -10.696 2.538 1.00 0.00 O ATOM 589 CB GLN A 40 10.343 -11.066 1.059 1.00 0.00 C ATOM 590 CG GLN A 40 10.959 -10.637 -0.263 1.00 0.00 C ATOM 591 CD GLN A 40 11.568 -9.251 -0.200 1.00 0.00 C ATOM 592 OE1 GLN A 40 12.487 -8.999 0.580 1.00 0.00 O ATOM 593 NE2 GLN A 40 11.061 -8.341 -1.023 1.00 0.00 N ATOM 0 H GLN A 40 11.189 -8.861 1.905 1.00 0.00 H new ATOM 0 HA GLN A 40 8.829 -9.549 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.141 -11.316 1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.761 -11.974 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.727 -11.355 -0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.195 -10.659 -1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.300 -8.592 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.433 -7.391 -1.025 1.00 0.00 H new ATOM 602 N ALA A 41 9.112 -11.131 3.810 1.00 0.00 N ATOM 603 CA ALA A 41 8.344 -11.768 4.873 1.00 0.00 C ATOM 604 C ALA A 41 7.229 -10.853 5.370 1.00 0.00 C ATOM 605 O ALA A 41 6.054 -11.212 5.324 1.00 0.00 O ATOM 606 CB ALA A 41 9.260 -12.158 6.023 1.00 0.00 C ATOM 0 H ALA A 41 10.118 -11.098 3.978 1.00 0.00 H new ATOM 0 HA ALA A 41 7.884 -12.669 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.674 -12.633 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.018 -12.855 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.746 -11.266 6.420 1.00 0.00 H new ATOM 612 N GLU A 42 7.608 -9.671 5.844 1.00 0.00 N ATOM 613 CA GLU A 42 6.639 -8.706 6.351 1.00 0.00 C ATOM 614 C GLU A 42 5.537 -8.452 5.326 1.00 0.00 C ATOM 615 O GLU A 42 4.380 -8.817 5.537 1.00 0.00 O ATOM 616 CB GLU A 42 7.334 -7.390 6.705 1.00 0.00 C ATOM 617 CG GLU A 42 6.466 -6.441 7.514 1.00 0.00 C ATOM 618 CD GLU A 42 5.771 -7.130 8.673 1.00 0.00 C ATOM 619 OE1 GLU A 42 6.376 -8.052 9.262 1.00 0.00 O ATOM 620 OE2 GLU A 42 4.627 -6.748 8.992 1.00 0.00 O ATOM 0 H GLU A 42 8.578 -9.358 5.888 1.00 0.00 H new ATOM 0 HA GLU A 42 6.186 -9.123 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.241 -7.608 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.642 -6.893 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.083 -5.628 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.717 -5.993 6.861 1.00 0.00 H new ATOM 627 N LEU A 43 5.906 -7.824 4.215 1.00 0.00 N ATOM 628 CA LEU A 43 4.949 -7.520 3.156 1.00 0.00 C ATOM 629 C LEU A 43 3.956 -8.662 2.975 1.00 0.00 C ATOM 630 O LEU A 43 2.746 -8.471 3.095 1.00 0.00 O ATOM 631 CB LEU A 43 5.683 -7.251 1.840 1.00 0.00 C ATOM 632 CG LEU A 43 6.082 -5.798 1.578 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.033 -5.713 0.394 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.848 -4.942 1.337 1.00 0.00 C ATOM 0 H LEU A 43 6.859 -7.516 4.024 1.00 0.00 H new ATOM 0 HA LEU A 43 4.396 -6.626 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.584 -7.864 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.050 -7.586 1.019 1.00 0.00 H new ATOM 0 HG LEU A 43 6.597 -5.416 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.307 -4.672 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.931 -6.294 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.544 -6.112 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.151 -3.911 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.305 -5.322 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.203 -4.979 2.215 1.00 0.00 H new ATOM 646 N ASP A 44 4.477 -9.850 2.684 1.00 0.00 N ATOM 647 CA ASP A 44 3.636 -11.026 2.488 1.00 0.00 C ATOM 648 C ASP A 44 2.498 -11.054 3.504 1.00 0.00 C ATOM 649 O ASP A 44 1.355 -11.359 3.162 1.00 0.00 O ATOM 650 CB ASP A 44 4.470 -12.301 2.603 1.00 0.00 C ATOM 651 CG ASP A 44 3.647 -13.555 2.386 1.00 0.00 C ATOM 652 OD1 ASP A 44 2.413 -13.491 2.563 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.236 -14.599 2.038 1.00 0.00 O ATOM 0 H ASP A 44 5.477 -10.024 2.579 1.00 0.00 H new ATOM 0 HA ASP A 44 3.206 -10.973 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.278 -12.270 1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.933 -12.341 3.589 1.00 0.00 H new ATOM 658 N ARG A 45 2.818 -10.736 4.754 1.00 0.00 N ATOM 659 CA ARG A 45 1.824 -10.728 5.820 1.00 0.00 C ATOM 660 C ARG A 45 0.936 -9.492 5.726 1.00 0.00 C ATOM 661 O ARG A 45 -0.244 -9.532 6.080 1.00 0.00 O ATOM 662 CB ARG A 45 2.508 -10.775 7.187 1.00 0.00 C ATOM 663 CG ARG A 45 1.683 -11.464 8.261 1.00 0.00 C ATOM 664 CD ARG A 45 2.564 -12.053 9.351 1.00 0.00 C ATOM 665 NE ARG A 45 3.145 -11.019 10.202 1.00 0.00 N ATOM 666 CZ ARG A 45 4.266 -11.182 10.896 1.00 0.00 C ATOM 667 NH1 ARG A 45 4.921 -12.335 10.841 1.00 0.00 N ATOM 668 NH2 ARG A 45 4.733 -10.195 11.650 1.00 0.00 N ATOM 0 H ARG A 45 3.759 -10.480 5.053 1.00 0.00 H new ATOM 0 HA ARG A 45 1.199 -11.613 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.463 -11.292 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.728 -9.757 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.988 -10.749 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.084 -12.255 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.976 -12.738 9.962 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.362 -12.638 8.895 1.00 0.00 H new ATOM 0 HE ARG A 45 2.664 -10.122 10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.564 -13.097 10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.782 -12.459 11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.231 -9.308 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.594 -10.323 12.182 1.00 0.00 H new ATOM 682 N LEU A 46 1.509 -8.394 5.247 1.00 0.00 N ATOM 683 CA LEU A 46 0.770 -7.144 5.106 1.00 0.00 C ATOM 684 C LEU A 46 -0.310 -7.267 4.038 1.00 0.00 C ATOM 685 O LEU A 46 -1.462 -6.896 4.260 1.00 0.00 O ATOM 686 CB LEU A 46 1.725 -6.001 4.753 1.00 0.00 C ATOM 687 CG LEU A 46 2.906 -5.794 5.703 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.793 -4.661 5.213 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.412 -5.515 7.115 1.00 0.00 C ATOM 0 H LEU A 46 2.483 -8.343 4.949 1.00 0.00 H new ATOM 0 HA LEU A 46 0.288 -6.926 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.117 -6.178 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.152 -5.075 4.711 1.00 0.00 H new ATOM 0 HG LEU A 46 3.498 -6.709 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.628 -4.529 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.175 -4.901 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.213 -3.740 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.266 -5.370 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.797 -4.615 7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.819 -6.359 7.467 1.00 0.00 H new ATOM 701 N ARG A 47 0.070 -7.793 2.877 1.00 0.00 N ATOM 702 CA ARG A 47 -0.868 -7.966 1.775 1.00 0.00 C ATOM 703 C ARG A 47 -2.063 -8.809 2.204 1.00 0.00 C ATOM 704 O ARG A 47 -3.204 -8.347 2.183 1.00 0.00 O ATOM 705 CB ARG A 47 -0.168 -8.623 0.582 1.00 0.00 C ATOM 706 CG ARG A 47 0.803 -7.700 -0.139 1.00 0.00 C ATOM 707 CD ARG A 47 1.523 -8.423 -1.265 1.00 0.00 C ATOM 708 NE ARG A 47 2.082 -9.701 -0.830 1.00 0.00 N ATOM 709 CZ ARG A 47 1.399 -10.840 -0.834 1.00 0.00 C ATOM 710 NH1 ARG A 47 0.139 -10.861 -1.249 1.00 0.00 N ATOM 711 NH2 ARG A 47 1.975 -11.962 -0.422 1.00 0.00 N ATOM 0 H ARG A 47 1.020 -8.106 2.676 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.229 -6.981 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.371 -9.505 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.922 -8.968 -0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.262 -6.844 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.533 -7.311 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.829 -8.593 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.323 -7.790 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 47 3.049 -9.719 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.308 -10.001 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.383 -11.737 -1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.943 -11.950 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.449 -12.836 -0.425 1.00 0.00 H new ATOM 725 N VAL A 48 -1.795 -10.052 2.595 1.00 0.00 N ATOM 726 CA VAL A 48 -2.848 -10.961 3.031 1.00 0.00 C ATOM 727 C VAL A 48 -3.671 -10.349 4.159 1.00 0.00 C ATOM 728 O VAL A 48 -4.900 -10.394 4.138 1.00 0.00 O ATOM 729 CB VAL A 48 -2.268 -12.306 3.505 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.142 -12.081 4.503 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.361 -13.175 4.110 1.00 0.00 C ATOM 0 H VAL A 48 -0.857 -10.452 2.618 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.492 -11.135 2.169 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.857 -12.828 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.745 -13.043 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.349 -11.501 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.525 -11.538 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.933 -14.122 4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.804 -12.661 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.130 -13.366 3.362 1.00 0.00 H new ATOM 741 N GLU A 49 -2.982 -9.775 5.143 1.00 0.00 N ATOM 742 CA GLU A 49 -3.650 -9.155 6.280 1.00 0.00 C ATOM 743 C GLU A 49 -4.591 -8.044 5.819 1.00 0.00 C ATOM 744 O GLU A 49 -5.806 -8.132 5.996 1.00 0.00 O ATOM 745 CB GLU A 49 -2.619 -8.591 7.258 1.00 0.00 C ATOM 746 CG GLU A 49 -1.951 -9.651 8.120 1.00 0.00 C ATOM 747 CD GLU A 49 -0.721 -9.131 8.837 1.00 0.00 C ATOM 748 OE1 GLU A 49 0.059 -8.384 8.211 1.00 0.00 O ATOM 749 OE2 GLU A 49 -0.539 -9.472 10.024 1.00 0.00 O ATOM 0 H GLU A 49 -1.964 -9.727 5.174 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.239 -9.920 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.853 -8.056 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.106 -7.862 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.666 -10.020 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.671 -10.499 7.495 1.00 0.00 H new ATOM 756 N THR A 50 -4.019 -7.000 5.227 1.00 0.00 N ATOM 757 CA THR A 50 -4.804 -5.873 4.743 1.00 0.00 C ATOM 758 C THR A 50 -5.584 -6.244 3.486 1.00 0.00 C ATOM 759 O THR A 50 -6.397 -5.462 2.993 1.00 0.00 O ATOM 760 CB THR A 50 -3.911 -4.655 4.436 1.00 0.00 C ATOM 761 OG1 THR A 50 -2.976 -4.982 3.401 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.159 -4.209 5.682 1.00 0.00 C ATOM 0 H THR A 50 -3.015 -6.912 5.072 1.00 0.00 H new ATOM 0 HA THR A 50 -5.502 -5.612 5.538 1.00 0.00 H new ATOM 0 HB THR A 50 -4.550 -3.837 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.188 -5.411 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.535 -3.348 5.442 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.873 -3.935 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.530 -5.025 6.039 1.00 0.00 H new ATOM 770 N LYS A 51 -5.333 -7.445 2.974 1.00 0.00 N ATOM 771 CA LYS A 51 -6.012 -7.922 1.776 1.00 0.00 C ATOM 772 C LYS A 51 -5.683 -7.041 0.575 1.00 0.00 C ATOM 773 O LYS A 51 -6.573 -6.641 -0.176 1.00 0.00 O ATOM 774 CB LYS A 51 -7.527 -7.951 2.001 1.00 0.00 C ATOM 775 CG LYS A 51 -7.957 -8.884 3.120 1.00 0.00 C ATOM 776 CD LYS A 51 -7.685 -10.338 2.771 1.00 0.00 C ATOM 777 CE LYS A 51 -8.310 -11.282 3.786 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.424 -12.669 3.258 1.00 0.00 N ATOM 0 H LYS A 51 -4.664 -8.105 3.371 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.661 -8.933 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.872 -6.942 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.018 -8.255 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.426 -8.624 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.020 -8.750 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.081 -10.555 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.609 -10.508 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.708 -11.288 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.299 -10.916 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.855 -13.281 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.019 -12.668 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.478 -13.028 3.019 1.00 0.00 H new ATOM 792 N LEU A 52 -4.401 -6.743 0.399 1.00 0.00 N ATOM 793 CA LEU A 52 -3.954 -5.911 -0.712 1.00 0.00 C ATOM 794 C LEU A 52 -2.862 -6.614 -1.514 1.00 0.00 C ATOM 795 O LEU A 52 -2.415 -7.701 -1.152 1.00 0.00 O ATOM 796 CB LEU A 52 -3.438 -4.568 -0.194 1.00 0.00 C ATOM 797 CG LEU A 52 -4.390 -3.788 0.714 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.614 -2.828 1.603 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.421 -3.035 -0.115 1.00 0.00 C ATOM 0 H LEU A 52 -3.652 -7.065 1.012 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.806 -5.736 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.510 -4.744 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.190 -3.942 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.915 -4.498 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.308 -2.282 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.916 -3.390 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.061 -2.123 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.090 -2.486 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.913 -2.336 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.999 -3.744 -0.708 1.00 0.00 H new ATOM 811 N SER A 53 -2.437 -5.982 -2.604 1.00 0.00 N ATOM 812 CA SER A 53 -1.399 -6.547 -3.458 1.00 0.00 C ATOM 813 C SER A 53 -0.064 -5.842 -3.229 1.00 0.00 C ATOM 814 O SER A 53 0.025 -4.900 -2.442 1.00 0.00 O ATOM 815 CB SER A 53 -1.802 -6.434 -4.930 1.00 0.00 C ATOM 816 OG SER A 53 -1.703 -5.096 -5.384 1.00 0.00 O ATOM 0 H SER A 53 -2.795 -5.079 -2.916 1.00 0.00 H new ATOM 0 HA SER A 53 -1.284 -7.600 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.162 -7.075 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.824 -6.791 -5.059 1.00 0.00 H new ATOM 0 HG SER A 53 -1.964 -5.051 -6.327 1.00 0.00 H new ATOM 822 N ARG A 54 0.970 -6.307 -3.923 1.00 0.00 N ATOM 823 CA ARG A 54 2.299 -5.725 -3.796 1.00 0.00 C ATOM 824 C ARG A 54 2.280 -4.243 -4.161 1.00 0.00 C ATOM 825 O ARG A 54 2.745 -3.399 -3.395 1.00 0.00 O ATOM 826 CB ARG A 54 3.293 -6.470 -4.687 1.00 0.00 C ATOM 827 CG ARG A 54 3.852 -7.733 -4.055 1.00 0.00 C ATOM 828 CD ARG A 54 5.060 -7.432 -3.180 1.00 0.00 C ATOM 829 NE ARG A 54 5.784 -8.646 -2.813 1.00 0.00 N ATOM 830 CZ ARG A 54 6.684 -9.232 -3.596 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.966 -8.718 -4.785 1.00 0.00 N ATOM 832 NH2 ARG A 54 7.301 -10.334 -3.191 1.00 0.00 N ATOM 0 H ARG A 54 0.912 -7.086 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 54 2.613 -5.821 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.802 -6.730 -5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.118 -5.802 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.079 -8.214 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.135 -8.438 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.731 -6.755 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.734 -6.917 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 54 5.588 -9.068 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.492 -7.872 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.657 -9.169 -5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.085 -10.733 -2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.991 -10.783 -3.793 1.00 0.00 H new ATOM 846 N ARG A 55 1.743 -3.937 -5.337 1.00 0.00 N ATOM 847 CA ARG A 55 1.665 -2.558 -5.805 1.00 0.00 C ATOM 848 C ARG A 55 0.836 -1.705 -4.850 1.00 0.00 C ATOM 849 O ARG A 55 1.293 -0.664 -4.377 1.00 0.00 O ATOM 850 CB ARG A 55 1.057 -2.507 -7.208 1.00 0.00 C ATOM 851 CG ARG A 55 1.823 -3.328 -8.233 1.00 0.00 C ATOM 852 CD ARG A 55 1.154 -3.280 -9.598 1.00 0.00 C ATOM 853 NE ARG A 55 -0.108 -4.016 -9.613 1.00 0.00 N ATOM 854 CZ ARG A 55 -1.274 -3.484 -9.259 1.00 0.00 C ATOM 855 NH1 ARG A 55 -1.337 -2.221 -8.864 1.00 0.00 N ATOM 856 NH2 ARG A 55 -2.379 -4.219 -9.299 1.00 0.00 N ATOM 0 H ARG A 55 1.356 -4.625 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 55 2.677 -2.155 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.029 -2.866 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.019 -1.470 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.843 -2.952 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.890 -4.362 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.972 -2.242 -9.877 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.827 -3.698 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.094 -4.991 -9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.490 -1.654 -8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.233 -1.815 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.334 -5.192 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.273 -3.811 -9.027 1.00 0.00 H new ATOM 870 N GLU A 56 -0.383 -2.153 -4.570 1.00 0.00 N ATOM 871 CA GLU A 56 -1.275 -1.429 -3.671 1.00 0.00 C ATOM 872 C GLU A 56 -0.508 -0.870 -2.477 1.00 0.00 C ATOM 873 O GLU A 56 -0.593 0.319 -2.172 1.00 0.00 O ATOM 874 CB GLU A 56 -2.400 -2.346 -3.187 1.00 0.00 C ATOM 875 CG GLU A 56 -3.558 -2.458 -4.165 1.00 0.00 C ATOM 876 CD GLU A 56 -4.861 -2.832 -3.485 1.00 0.00 C ATOM 877 OE1 GLU A 56 -5.044 -4.024 -3.164 1.00 0.00 O ATOM 878 OE2 GLU A 56 -5.699 -1.929 -3.275 1.00 0.00 O ATOM 0 H GLU A 56 -0.776 -3.013 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.708 -0.595 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.993 -3.340 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.775 -1.974 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.683 -1.508 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.319 -3.206 -4.921 1.00 0.00 H new ATOM 885 N ILE A 57 0.239 -1.738 -1.804 1.00 0.00 N ATOM 886 CA ILE A 57 1.022 -1.333 -0.643 1.00 0.00 C ATOM 887 C ILE A 57 2.205 -0.463 -1.054 1.00 0.00 C ATOM 888 O ILE A 57 2.473 0.570 -0.441 1.00 0.00 O ATOM 889 CB ILE A 57 1.544 -2.553 0.140 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.376 -3.423 0.606 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.384 -2.102 1.325 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.808 -4.750 1.192 1.00 0.00 C ATOM 0 H ILE A 57 0.319 -2.726 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 57 0.356 -0.758 0.000 1.00 0.00 H new ATOM 0 HB ILE A 57 2.175 -3.148 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.200 -2.875 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.289 -3.607 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.745 -2.975 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.233 -1.519 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.776 -1.488 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.071 -5.315 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.358 -5.317 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.449 -4.575 2.056 1.00 0.00 H new ATOM 904 N ASP A 58 2.911 -0.888 -2.097 1.00 0.00 N ATOM 905 CA ASP A 58 4.064 -0.146 -2.593 1.00 0.00 C ATOM 906 C ASP A 58 3.764 1.348 -2.655 1.00 0.00 C ATOM 907 O ASP A 58 4.602 2.176 -2.295 1.00 0.00 O ATOM 908 CB ASP A 58 4.469 -0.656 -3.978 1.00 0.00 C ATOM 909 CG ASP A 58 5.477 -1.786 -3.906 1.00 0.00 C ATOM 910 OD1 ASP A 58 5.345 -2.644 -3.009 1.00 0.00 O ATOM 911 OD2 ASP A 58 6.400 -1.812 -4.748 1.00 0.00 O ATOM 0 H ASP A 58 2.705 -1.742 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 58 4.891 -0.303 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.581 -0.998 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.890 0.166 -4.556 1.00 0.00 H new ATOM 916 N SER A 59 2.565 1.687 -3.115 1.00 0.00 N ATOM 917 CA SER A 59 2.155 3.081 -3.230 1.00 0.00 C ATOM 918 C SER A 59 1.984 3.712 -1.852 1.00 0.00 C ATOM 919 O SER A 59 2.421 4.838 -1.614 1.00 0.00 O ATOM 920 CB SER A 59 0.848 3.189 -4.017 1.00 0.00 C ATOM 921 OG SER A 59 0.412 4.534 -4.101 1.00 0.00 O ATOM 0 H SER A 59 1.859 1.014 -3.415 1.00 0.00 H new ATOM 0 HA SER A 59 2.938 3.620 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.990 2.786 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.079 2.584 -3.536 1.00 0.00 H new ATOM 0 HG SER A 59 1.168 5.134 -3.931 1.00 0.00 H new ATOM 927 N TRP A 60 1.346 2.979 -0.947 1.00 0.00 N ATOM 928 CA TRP A 60 1.117 3.465 0.409 1.00 0.00 C ATOM 929 C TRP A 60 2.429 3.871 1.070 1.00 0.00 C ATOM 930 O TRP A 60 2.576 4.999 1.541 1.00 0.00 O ATOM 931 CB TRP A 60 0.419 2.392 1.247 1.00 0.00 C ATOM 932 CG TRP A 60 -0.244 2.937 2.475 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.536 3.368 2.586 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.351 3.110 3.766 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.779 3.799 3.868 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.638 3.650 4.612 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.622 2.859 4.289 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.392 3.943 5.950 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.864 3.151 5.618 1.00 0.00 C ATOM 940 CH2 TRP A 60 0.862 3.688 6.436 1.00 0.00 C ATOM 0 H TRP A 60 0.978 2.045 -1.128 1.00 0.00 H new ATOM 0 HA TRP A 60 0.475 4.344 0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.328 1.889 0.632 1.00 0.00 H new ATOM 0 HB3 TRP A 60 1.149 1.638 1.541 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.260 3.370 1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.665 4.170 4.210 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.401 2.444 3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.163 4.357 6.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.843 2.962 6.033 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.083 3.905 7.471 1.00 0.00 H new ATOM 951 N PHE A 61 3.381 2.944 1.105 1.00 0.00 N ATOM 952 CA PHE A 61 4.681 3.205 1.711 1.00 0.00 C ATOM 953 C PHE A 61 5.463 4.234 0.898 1.00 0.00 C ATOM 954 O PHE A 61 5.964 5.219 1.440 1.00 0.00 O ATOM 955 CB PHE A 61 5.486 1.909 1.822 1.00 0.00 C ATOM 956 CG PHE A 61 5.020 1.010 2.932 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.725 0.518 2.947 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.879 0.654 3.960 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.294 -0.310 3.966 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.455 -0.175 4.981 1.00 0.00 C ATOM 961 CZ PHE A 61 4.159 -0.657 4.985 1.00 0.00 C ATOM 0 H PHE A 61 3.276 2.005 0.721 1.00 0.00 H new ATOM 0 HA PHE A 61 4.514 3.607 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.424 1.369 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.536 2.155 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.044 0.785 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.892 1.029 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.281 -0.685 3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.135 -0.446 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.824 -1.303 5.783 1.00 0.00 H new ATOM 971 N SER A 62 5.563 3.996 -0.406 1.00 0.00 N ATOM 972 CA SER A 62 6.286 4.898 -1.294 1.00 0.00 C ATOM 973 C SER A 62 5.943 6.352 -0.990 1.00 0.00 C ATOM 974 O SER A 62 6.816 7.219 -0.981 1.00 0.00 O ATOM 975 CB SER A 62 5.961 4.580 -2.755 1.00 0.00 C ATOM 976 OG SER A 62 6.777 3.528 -3.242 1.00 0.00 O ATOM 0 H SER A 62 5.152 3.186 -0.871 1.00 0.00 H new ATOM 0 HA SER A 62 7.353 4.753 -1.127 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.911 4.301 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.108 5.471 -3.366 1.00 0.00 H new ATOM 0 HG SER A 62 6.335 2.669 -3.079 1.00 0.00 H new ATOM 982 N GLU A 63 4.662 6.612 -0.741 1.00 0.00 N ATOM 983 CA GLU A 63 4.202 7.960 -0.437 1.00 0.00 C ATOM 984 C GLU A 63 4.400 8.284 1.042 1.00 0.00 C ATOM 985 O GLU A 63 4.817 9.386 1.397 1.00 0.00 O ATOM 986 CB GLU A 63 2.726 8.117 -0.809 1.00 0.00 C ATOM 987 CG GLU A 63 2.504 8.529 -2.255 1.00 0.00 C ATOM 988 CD GLU A 63 2.377 7.341 -3.188 1.00 0.00 C ATOM 989 OE1 GLU A 63 3.410 6.701 -3.475 1.00 0.00 O ATOM 990 OE2 GLU A 63 1.247 7.051 -3.631 1.00 0.00 O ATOM 0 H GLU A 63 3.926 5.906 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 63 4.795 8.658 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.211 7.174 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.272 8.861 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.601 9.136 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.334 9.155 -2.582 1.00 0.00 H new ATOM 997 N ARG A 64 4.099 7.313 1.898 1.00 0.00 N ATOM 998 CA ARG A 64 4.243 7.494 3.338 1.00 0.00 C ATOM 999 C ARG A 64 5.647 7.981 3.688 1.00 0.00 C ATOM 1000 O ARG A 64 5.817 8.859 4.534 1.00 0.00 O ATOM 1001 CB ARG A 64 3.951 6.183 4.070 1.00 0.00 C ATOM 1002 CG ARG A 64 3.574 6.370 5.531 1.00 0.00 C ATOM 1003 CD ARG A 64 2.152 6.890 5.677 1.00 0.00 C ATOM 1004 NE ARG A 64 1.618 6.654 7.016 1.00 0.00 N ATOM 1005 CZ ARG A 64 1.880 7.431 8.060 1.00 0.00 C ATOM 1006 NH1 ARG A 64 2.663 8.493 7.921 1.00 0.00 N ATOM 1007 NH2 ARG A 64 1.356 7.150 9.246 1.00 0.00 N ATOM 0 H ARG A 64 3.754 6.394 1.620 1.00 0.00 H new ATOM 0 HA ARG A 64 3.525 8.249 3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.140 5.664 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.829 5.540 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.671 5.421 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.268 7.067 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.133 7.958 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.511 6.405 4.940 1.00 0.00 H new ATOM 0 HE ARG A 64 1.010 5.847 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.065 8.714 7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.863 9.088 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.751 6.336 9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.558 7.748 10.047 1.00 0.00 H new ATOM 1021 N ARG A 65 6.649 7.405 3.031 1.00 0.00 N ATOM 1022 CA ARG A 65 8.035 7.778 3.273 1.00 0.00 C ATOM 1023 C ARG A 65 8.256 9.263 2.997 1.00 0.00 C ATOM 1024 O ARG A 65 8.858 9.973 3.803 1.00 0.00 O ATOM 1025 CB ARG A 65 8.971 6.943 2.399 1.00 0.00 C ATOM 1026 CG ARG A 65 9.437 5.656 3.060 1.00 0.00 C ATOM 1027 CD ARG A 65 10.611 5.040 2.316 1.00 0.00 C ATOM 1028 NE ARG A 65 11.709 5.988 2.143 1.00 0.00 N ATOM 1029 CZ ARG A 65 12.491 6.396 3.137 1.00 0.00 C ATOM 1030 NH1 ARG A 65 12.299 5.939 4.366 1.00 0.00 N ATOM 1031 NH2 ARG A 65 13.469 7.261 2.899 1.00 0.00 N ATOM 0 H ARG A 65 6.525 6.678 2.327 1.00 0.00 H new ATOM 0 HA ARG A 65 8.258 7.583 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.462 6.699 1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.842 7.544 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.725 5.859 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.612 4.944 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.969 4.167 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.277 4.690 1.339 1.00 0.00 H new ATOM 0 HE ARG A 65 11.885 6.357 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.549 5.272 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.901 6.254 5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.620 7.612 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.069 7.574 3.662 1.00 0.00 H new ATOM 1045 N LYS A 66 7.763 9.727 1.853 1.00 0.00 N ATOM 1046 CA LYS A 66 7.903 11.127 1.472 1.00 0.00 C ATOM 1047 C LYS A 66 7.576 12.047 2.643 1.00 0.00 C ATOM 1048 O LYS A 66 8.241 13.062 2.852 1.00 0.00 O ATOM 1049 CB LYS A 66 6.988 11.447 0.286 1.00 0.00 C ATOM 1050 CG LYS A 66 7.649 11.239 -1.066 1.00 0.00 C ATOM 1051 CD LYS A 66 7.567 9.789 -1.510 1.00 0.00 C ATOM 1052 CE LYS A 66 8.509 9.507 -2.668 1.00 0.00 C ATOM 1053 NZ LYS A 66 9.905 9.271 -2.203 1.00 0.00 N ATOM 0 H LYS A 66 7.263 9.153 1.174 1.00 0.00 H new ATOM 0 HA LYS A 66 8.940 11.296 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.098 10.821 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.656 12.482 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.168 11.876 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.694 11.545 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.813 9.136 -0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.544 9.555 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.157 8.634 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.494 10.348 -3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.517 9.082 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.250 10.113 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.924 8.453 -1.561 1.00 0.00 H new ATOM 1067 N LEU A 67 6.549 11.685 3.405 1.00 0.00 N ATOM 1068 CA LEU A 67 6.136 12.478 4.557 1.00 0.00 C ATOM 1069 C LEU A 67 7.269 12.595 5.572 1.00 0.00 C ATOM 1070 O LEU A 67 7.450 13.642 6.195 1.00 0.00 O ATOM 1071 CB LEU A 67 4.908 11.849 5.218 1.00 0.00 C ATOM 1072 CG LEU A 67 3.789 11.409 4.274 1.00 0.00 C ATOM 1073 CD1 LEU A 67 2.704 10.669 5.041 1.00 0.00 C ATOM 1074 CD2 LEU A 67 3.204 12.609 3.544 1.00 0.00 C ATOM 0 H LEU A 67 5.988 10.848 3.246 1.00 0.00 H new ATOM 0 HA LEU A 67 5.882 13.478 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.234 10.982 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.496 12.565 5.929 1.00 0.00 H new ATOM 0 HG LEU A 67 4.211 10.729 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.916 10.363 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.132 9.787 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.285 11.326 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.409 12.277 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.798 13.314 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.986 13.097 2.962 1.00 0.00 H new ATOM 1086 N ARG A 68 8.029 11.517 5.732 1.00 0.00 N ATOM 1087 CA ARG A 68 9.146 11.501 6.669 1.00 0.00 C ATOM 1088 C ARG A 68 10.339 12.268 6.108 1.00 0.00 C ATOM 1089 O ARG A 68 10.963 13.065 6.807 1.00 0.00 O ATOM 1090 CB ARG A 68 9.552 10.061 6.985 1.00 0.00 C ATOM 1091 CG ARG A 68 10.957 9.936 7.551 1.00 0.00 C ATOM 1092 CD ARG A 68 11.457 8.501 7.490 1.00 0.00 C ATOM 1093 NE ARG A 68 11.209 7.781 8.736 1.00 0.00 N ATOM 1094 CZ ARG A 68 10.040 7.235 9.050 1.00 0.00 C ATOM 1095 NH1 ARG A 68 9.017 7.325 8.211 1.00 0.00 N ATOM 1096 NH2 ARG A 68 9.892 6.597 10.204 1.00 0.00 N ATOM 0 H ARG A 68 7.892 10.643 5.225 1.00 0.00 H new ATOM 0 HA ARG A 68 8.824 11.990 7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.843 9.641 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.481 9.464 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.634 10.582 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.966 10.282 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.966 7.981 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.526 8.498 7.277 1.00 0.00 H new ATOM 0 HE ARG A 68 11.976 7.693 9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.127 7.814 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.120 6.905 8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.677 6.525 10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.993 6.178 10.444 1.00 0.00 H new ATOM 1110 N ASP A 69 10.651 12.020 4.839 1.00 0.00 N ATOM 1111 CA ASP A 69 11.770 12.687 4.183 1.00 0.00 C ATOM 1112 C ASP A 69 11.627 14.203 4.272 1.00 0.00 C ATOM 1113 O ASP A 69 12.602 14.915 4.511 1.00 0.00 O ATOM 1114 CB ASP A 69 11.860 12.257 2.719 1.00 0.00 C ATOM 1115 CG ASP A 69 12.554 13.289 1.853 1.00 0.00 C ATOM 1116 OD1 ASP A 69 13.524 13.909 2.334 1.00 0.00 O ATOM 1117 OD2 ASP A 69 12.128 13.476 0.694 1.00 0.00 O ATOM 0 H ASP A 69 10.145 11.363 4.246 1.00 0.00 H new ATOM 0 HA ASP A 69 12.686 12.395 4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.398 11.311 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.856 12.080 2.333 1.00 0.00 H new ATOM 1122 N SER A 70 10.404 14.690 4.080 1.00 0.00 N ATOM 1123 CA SER A 70 10.135 16.122 4.135 1.00 0.00 C ATOM 1124 C SER A 70 10.619 16.716 5.454 1.00 0.00 C ATOM 1125 O SER A 70 11.126 16.003 6.318 1.00 0.00 O ATOM 1126 CB SER A 70 8.638 16.387 3.961 1.00 0.00 C ATOM 1127 OG SER A 70 8.276 16.389 2.591 1.00 0.00 O ATOM 0 H SER A 70 9.585 14.114 3.885 1.00 0.00 H new ATOM 0 HA SER A 70 10.679 16.601 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.067 15.624 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.381 17.347 4.410 1.00 0.00 H new ATOM 0 HG SER A 70 7.314 16.559 2.507 1.00 0.00 H new ATOM 1133 N MET A 71 10.457 18.028 5.598 1.00 0.00 N ATOM 1134 CA MET A 71 10.878 18.719 6.812 1.00 0.00 C ATOM 1135 C MET A 71 9.876 18.493 7.940 1.00 0.00 C ATOM 1136 O MET A 71 9.966 19.118 8.996 1.00 0.00 O ATOM 1137 CB MET A 71 11.032 20.217 6.544 1.00 0.00 C ATOM 1138 CG MET A 71 9.724 20.911 6.200 1.00 0.00 C ATOM 1139 SD MET A 71 9.713 22.649 6.677 1.00 0.00 S ATOM 1140 CE MET A 71 8.019 23.093 6.302 1.00 0.00 C ATOM 0 H MET A 71 10.038 18.632 4.891 1.00 0.00 H new ATOM 0 HA MET A 71 11.841 18.311 7.118 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.465 20.692 7.424 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.736 20.361 5.725 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.546 20.832 5.128 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.902 20.396 6.698 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.856 24.143 6.544 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.827 22.931 5.241 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.342 22.475 6.892 1.00 0.00 H new ATOM 1150 N GLU A 72 8.922 17.597 7.708 1.00 0.00 N ATOM 1151 CA GLU A 72 7.904 17.289 8.706 1.00 0.00 C ATOM 1152 C GLU A 72 8.543 16.947 10.049 1.00 0.00 C ATOM 1153 O GLU A 72 9.746 16.700 10.129 1.00 0.00 O ATOM 1154 CB GLU A 72 7.029 16.128 8.233 1.00 0.00 C ATOM 1155 CG GLU A 72 5.584 16.225 8.697 1.00 0.00 C ATOM 1156 CD GLU A 72 4.862 17.419 8.107 1.00 0.00 C ATOM 1157 OE1 GLU A 72 4.692 17.457 6.869 1.00 0.00 O ATOM 1158 OE2 GLU A 72 4.467 18.317 8.880 1.00 0.00 O ATOM 0 H GLU A 72 8.833 17.072 6.838 1.00 0.00 H new ATOM 0 HA GLU A 72 7.281 18.174 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.050 16.089 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.456 15.192 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.056 15.313 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.559 16.291 9.785 1.00 0.00 H new ATOM 1165 N GLN A 73 7.729 16.935 11.098 1.00 0.00 N ATOM 1166 CA GLN A 73 8.214 16.623 12.437 1.00 0.00 C ATOM 1167 C GLN A 73 9.131 15.405 12.414 1.00 0.00 C ATOM 1168 O GLN A 73 10.079 15.314 13.194 1.00 0.00 O ATOM 1169 CB GLN A 73 7.039 16.374 13.384 1.00 0.00 C ATOM 1170 CG GLN A 73 6.297 15.077 13.104 1.00 0.00 C ATOM 1171 CD GLN A 73 5.352 15.189 11.924 1.00 0.00 C ATOM 1172 OE1 GLN A 73 5.473 14.453 10.945 1.00 0.00 O ATOM 1173 NE2 GLN A 73 4.402 16.112 12.013 1.00 0.00 N ATOM 0 H GLN A 73 6.731 17.138 11.047 1.00 0.00 H new ATOM 0 HA GLN A 73 8.786 17.479 12.797 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.407 16.358 14.410 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.340 17.207 13.309 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.019 14.284 12.912 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.733 14.787 13.990 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.339 16.700 12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.735 16.233 11.251 1.00 0.00 H new ATOM 1182 N ALA A 74 8.843 14.471 11.514 1.00 0.00 N ATOM 1183 CA ALA A 74 9.643 13.258 11.389 1.00 0.00 C ATOM 1184 C ALA A 74 11.004 13.560 10.771 1.00 0.00 C ATOM 1185 O ALA A 74 11.108 14.332 9.817 1.00 0.00 O ATOM 1186 CB ALA A 74 8.903 12.222 10.556 1.00 0.00 C ATOM 0 H ALA A 74 8.062 14.531 10.861 1.00 0.00 H new ATOM 0 HA ALA A 74 9.807 12.856 12.389 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.511 11.322 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.957 11.976 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.710 12.625 9.562 1.00 0.00 H new ATOM 1192 N VAL A 75 12.048 12.949 11.323 1.00 0.00 N ATOM 1193 CA VAL A 75 13.403 13.152 10.827 1.00 0.00 C ATOM 1194 C VAL A 75 13.947 11.885 10.178 1.00 0.00 C ATOM 1195 O VAL A 75 13.721 10.777 10.665 1.00 0.00 O ATOM 1196 CB VAL A 75 14.355 13.585 11.957 1.00 0.00 C ATOM 1197 CG1 VAL A 75 14.363 12.553 13.074 1.00 0.00 C ATOM 1198 CG2 VAL A 75 15.759 13.807 11.415 1.00 0.00 C ATOM 0 H VAL A 75 11.980 12.309 12.114 1.00 0.00 H new ATOM 0 HA VAL A 75 13.351 13.945 10.081 1.00 0.00 H new ATOM 0 HB VAL A 75 13.996 14.528 12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 75 15.041 12.876 13.863 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.357 12.449 13.480 1.00 0.00 H new ATOM 0 HG13 VAL A 75 14.696 11.593 12.680 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.418 14.113 12.227 1.00 0.00 H new ATOM 0 HG22 VAL A 75 16.130 12.881 10.975 1.00 0.00 H new ATOM 0 HG23 VAL A 75 15.736 14.587 10.654 1.00 0.00 H new ATOM 1208 N LEU A 76 14.665 12.054 9.072 1.00 0.00 N ATOM 1209 CA LEU A 76 15.242 10.923 8.353 1.00 0.00 C ATOM 1210 C LEU A 76 16.677 10.668 8.803 1.00 0.00 C ATOM 1211 O LEU A 76 17.543 11.534 8.670 1.00 0.00 O ATOM 1212 CB LEU A 76 15.205 11.179 6.846 1.00 0.00 C ATOM 1213 CG LEU A 76 15.247 9.937 5.954 1.00 0.00 C ATOM 1214 CD1 LEU A 76 14.637 10.236 4.594 1.00 0.00 C ATOM 1215 CD2 LEU A 76 16.677 9.439 5.801 1.00 0.00 C ATOM 0 H LEU A 76 14.861 12.963 8.654 1.00 0.00 H new ATOM 0 HA LEU A 76 14.647 10.038 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.298 11.738 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 76 16.049 11.818 6.585 1.00 0.00 H new ATOM 0 HG LEU A 76 14.658 9.152 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.676 9.341 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.599 10.545 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.198 11.037 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 76 16.688 8.555 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.288 10.220 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 76 17.080 9.185 6.781 1.00 0.00 H new ATOM 1227 N ASP A 77 16.923 9.476 9.333 1.00 0.00 N ATOM 1228 CA ASP A 77 18.255 9.105 9.799 1.00 0.00 C ATOM 1229 C ASP A 77 19.196 8.872 8.621 1.00 0.00 C ATOM 1230 O ASP A 77 19.079 7.875 7.908 1.00 0.00 O ATOM 1231 CB ASP A 77 18.182 7.849 10.668 1.00 0.00 C ATOM 1232 CG ASP A 77 17.502 8.104 11.998 1.00 0.00 C ATOM 1233 OD1 ASP A 77 16.313 8.488 11.991 1.00 0.00 O ATOM 1234 OD2 ASP A 77 18.156 7.918 13.046 1.00 0.00 O ATOM 0 H ASP A 77 16.218 8.749 9.451 1.00 0.00 H new ATOM 0 HA ASP A 77 18.648 9.927 10.397 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.642 7.070 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.190 7.474 10.845 1.00 0.00 H new ATOM 1239 N SER A 78 20.129 9.797 8.423 1.00 0.00 N ATOM 1240 CA SER A 78 21.087 9.695 7.329 1.00 0.00 C ATOM 1241 C SER A 78 22.151 8.644 7.635 1.00 0.00 C ATOM 1242 O SER A 78 22.703 8.605 8.735 1.00 0.00 O ATOM 1243 CB SER A 78 21.752 11.048 7.076 1.00 0.00 C ATOM 1244 OG SER A 78 20.802 12.012 6.654 1.00 0.00 O ATOM 0 H SER A 78 20.242 10.626 9.006 1.00 0.00 H new ATOM 0 HA SER A 78 20.545 9.391 6.433 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.243 11.391 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 78 22.527 10.940 6.317 1.00 0.00 H new ATOM 0 HG SER A 78 21.252 12.869 6.500 1.00 0.00 H new ATOM 1250 N MET A 79 22.432 7.792 6.654 1.00 0.00 N ATOM 1251 CA MET A 79 23.430 6.740 6.818 1.00 0.00 C ATOM 1252 C MET A 79 24.447 6.775 5.681 1.00 0.00 C ATOM 1253 O MET A 79 24.169 6.316 4.574 1.00 0.00 O ATOM 1254 CB MET A 79 22.752 5.369 6.870 1.00 0.00 C ATOM 1255 CG MET A 79 23.727 4.216 7.047 1.00 0.00 C ATOM 1256 SD MET A 79 24.387 4.117 8.723 1.00 0.00 S ATOM 1257 CE MET A 79 24.651 2.352 8.877 1.00 0.00 C ATOM 0 H MET A 79 21.983 7.809 5.738 1.00 0.00 H new ATOM 0 HA MET A 79 23.955 6.913 7.757 1.00 0.00 H new ATOM 0 HB2 MET A 79 22.036 5.358 7.691 1.00 0.00 H new ATOM 0 HB3 MET A 79 22.186 5.218 5.951 1.00 0.00 H new ATOM 0 HG2 MET A 79 23.225 3.280 6.802 1.00 0.00 H new ATOM 0 HG3 MET A 79 24.551 4.330 6.342 1.00 0.00 H new ATOM 0 HE1 MET A 79 25.058 2.130 9.863 1.00 0.00 H new ATOM 0 HE2 MET A 79 23.703 1.830 8.750 1.00 0.00 H new ATOM 0 HE3 MET A 79 25.353 2.021 8.112 1.00 0.00 H new ATOM 1267 N GLY A 80 25.625 7.322 5.964 1.00 0.00 N ATOM 1268 CA GLY A 80 26.665 7.406 4.956 1.00 0.00 C ATOM 1269 C GLY A 80 26.346 8.424 3.878 1.00 0.00 C ATOM 1270 O GLY A 80 25.461 8.207 3.052 1.00 0.00 O ATOM 0 H GLY A 80 25.878 7.708 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 80 27.609 7.670 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 80 26.803 6.427 4.498 1.00 0.00 H new ATOM 1274 N SER A 81 27.069 9.539 3.888 1.00 0.00 N ATOM 1275 CA SER A 81 26.856 10.597 2.907 1.00 0.00 C ATOM 1276 C SER A 81 28.127 11.417 2.708 1.00 0.00 C ATOM 1277 O SER A 81 28.967 11.509 3.603 1.00 0.00 O ATOM 1278 CB SER A 81 25.711 11.509 3.351 1.00 0.00 C ATOM 1279 OG SER A 81 25.210 12.265 2.262 1.00 0.00 O ATOM 0 H SER A 81 27.807 9.733 4.564 1.00 0.00 H new ATOM 0 HA SER A 81 26.593 10.131 1.957 1.00 0.00 H new ATOM 0 HB2 SER A 81 24.909 10.908 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 81 26.060 12.181 4.135 1.00 0.00 H new ATOM 0 HG SER A 81 24.478 12.839 2.571 1.00 0.00 H new ATOM 1285 N GLY A 82 28.260 12.014 1.527 1.00 0.00 N ATOM 1286 CA GLY A 82 29.431 12.819 1.230 1.00 0.00 C ATOM 1287 C GLY A 82 29.117 14.301 1.183 1.00 0.00 C ATOM 1288 O GLY A 82 28.127 14.715 0.579 1.00 0.00 O ATOM 0 H GLY A 82 27.578 11.955 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 82 30.195 12.636 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 82 29.849 12.508 0.272 1.00 0.00 H new ATOM 1292 N LYS A 83 29.962 15.103 1.822 1.00 0.00 N ATOM 1293 CA LYS A 83 29.771 16.548 1.852 1.00 0.00 C ATOM 1294 C LYS A 83 29.975 17.153 0.465 1.00 0.00 C ATOM 1295 O LYS A 83 31.058 17.055 -0.111 1.00 0.00 O ATOM 1296 CB LYS A 83 30.740 17.191 2.846 1.00 0.00 C ATOM 1297 CG LYS A 83 30.345 18.598 3.257 1.00 0.00 C ATOM 1298 CD LYS A 83 30.657 19.606 2.163 1.00 0.00 C ATOM 1299 CE LYS A 83 30.362 21.028 2.614 1.00 0.00 C ATOM 1300 NZ LYS A 83 28.907 21.247 2.845 1.00 0.00 N ATOM 0 H LYS A 83 30.786 14.776 2.326 1.00 0.00 H new ATOM 0 HA LYS A 83 28.748 16.747 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 83 30.802 16.565 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 83 31.736 17.217 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 83 29.280 18.626 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 83 30.874 18.874 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 83 31.706 19.524 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 83 30.068 19.375 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 83 30.911 21.239 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 83 30.720 21.729 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 28.733 22.255 3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 28.374 20.957 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 28.596 20.682 3.661 1.00 0.00 H new ATOM 1314 N SER A 84 28.927 17.778 -0.062 1.00 0.00 N ATOM 1315 CA SER A 84 28.992 18.396 -1.382 1.00 0.00 C ATOM 1316 C SER A 84 29.253 19.895 -1.267 1.00 0.00 C ATOM 1317 O SER A 84 28.784 20.549 -0.337 1.00 0.00 O ATOM 1318 CB SER A 84 27.690 18.150 -2.145 1.00 0.00 C ATOM 1319 OG SER A 84 27.364 16.771 -2.170 1.00 0.00 O ATOM 0 H SER A 84 28.024 17.870 0.404 1.00 0.00 H new ATOM 0 HA SER A 84 29.818 17.943 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.880 18.710 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 84 27.787 18.522 -3.165 1.00 0.00 H new ATOM 0 HG SER A 84 26.527 16.642 -2.662 1.00 0.00 H new ATOM 1325 N GLY A 85 30.005 20.432 -2.221 1.00 0.00 N ATOM 1326 CA GLY A 85 30.318 21.849 -2.211 1.00 0.00 C ATOM 1327 C GLY A 85 30.520 22.410 -3.604 1.00 0.00 C ATOM 1328 O GLY A 85 31.643 22.513 -4.098 1.00 0.00 O ATOM 0 H GLY A 85 30.404 19.911 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.512 22.392 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 85 31.220 22.014 -1.622 1.00 0.00 H new ATOM 1332 N PRO A 86 29.412 22.781 -4.264 1.00 0.00 N ATOM 1333 CA PRO A 86 29.448 23.339 -5.618 1.00 0.00 C ATOM 1334 C PRO A 86 30.057 24.736 -5.655 1.00 0.00 C ATOM 1335 O PRO A 86 29.841 25.542 -4.750 1.00 0.00 O ATOM 1336 CB PRO A 86 27.972 23.388 -6.022 1.00 0.00 C ATOM 1337 CG PRO A 86 27.231 23.471 -4.731 1.00 0.00 C ATOM 1338 CD PRO A 86 28.041 22.687 -3.737 1.00 0.00 C ATOM 0 HA PRO A 86 30.068 22.742 -6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 86 27.763 24.250 -6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 86 27.686 22.501 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 86 27.118 24.507 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 86 26.228 23.057 -4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 86 27.966 23.110 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 86 27.705 21.652 -3.672 1.00 0.00 H new ATOM 1346 N SER A 87 30.820 25.018 -6.707 1.00 0.00 N ATOM 1347 CA SER A 87 31.463 26.318 -6.859 1.00 0.00 C ATOM 1348 C SER A 87 31.316 26.832 -8.288 1.00 0.00 C ATOM 1349 O SER A 87 31.482 26.083 -9.250 1.00 0.00 O ATOM 1350 CB SER A 87 32.946 26.222 -6.489 1.00 0.00 C ATOM 1351 OG SER A 87 33.483 27.503 -6.209 1.00 0.00 O ATOM 0 H SER A 87 31.008 24.363 -7.466 1.00 0.00 H new ATOM 0 HA SER A 87 30.972 27.021 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.067 25.575 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 87 33.500 25.762 -7.308 1.00 0.00 H new ATOM 0 HG SER A 87 34.430 27.416 -5.974 1.00 0.00 H new ATOM 1357 N SER A 88 31.002 28.117 -8.418 1.00 0.00 N ATOM 1358 CA SER A 88 30.829 28.734 -9.727 1.00 0.00 C ATOM 1359 C SER A 88 32.108 29.437 -10.171 1.00 0.00 C ATOM 1360 O SER A 88 32.565 30.381 -9.528 1.00 0.00 O ATOM 1361 CB SER A 88 29.668 29.730 -9.696 1.00 0.00 C ATOM 1362 OG SER A 88 28.472 29.108 -9.260 1.00 0.00 O ATOM 0 H SER A 88 30.862 28.751 -7.632 1.00 0.00 H new ATOM 0 HA SER A 88 30.602 27.946 -10.445 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.914 30.558 -9.032 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.520 30.152 -10.690 1.00 0.00 H new ATOM 0 HG SER A 88 27.746 29.767 -9.248 1.00 0.00 H new ATOM 1368 N GLY A 89 32.679 28.970 -11.276 1.00 0.00 N ATOM 1369 CA GLY A 89 33.901 29.565 -11.787 1.00 0.00 C ATOM 1370 C GLY A 89 33.636 30.798 -12.628 1.00 0.00 C ATOM 1371 O GLY A 89 32.696 31.548 -12.364 1.00 0.00 O ATOM 0 H GLY A 89 32.318 28.191 -11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 89 34.549 29.831 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 89 34.438 28.829 -12.385 1.00 0.00 H new TER 1375 GLY A 89