USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 588 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.0549 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= 0.0146 USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= -0.112 (180deg=-0.567) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.29 (180deg=-1.5!) USER MOD Single : A 18 GLN : amide:sc= 0.973 K(o=0.97,f=-5.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.755 USER MOD Single : A 29 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.1!) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0357) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= -0.112 (180deg=-1.36) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.264 (180deg=-1.31!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 81:sc= 1.23 USER MOD Single : A 44 THR OG1 : rot -51:sc= -1.09! USER MOD Single : A 45 SER OG : rot 180:sc=-0.00572 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.854 K(o=-0.85,f=-0.034) USER MOD Single : A 52 THR OG1 : rot 81:sc= 0.267 USER MOD Single : A 56 GLN : amide:sc= -0.0673 K(o=-0.067,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00275 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.759 4.603 18.099 1.00 0.00 N ATOM 2 CA GLY A 1 -3.925 3.741 18.137 1.00 0.00 C ATOM 3 C GLY A 1 -5.223 4.515 18.018 1.00 0.00 C ATOM 4 O GLY A 1 -5.438 5.234 17.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.898 4.026 18.184 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.740 5.122 17.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.802 5.279 18.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.863 3.015 17.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.926 3.177 19.070 1.00 0.00 H new ATOM 8 N SER A 2 -6.092 4.366 19.013 1.00 0.00 N ATOM 9 CA SER A 2 -7.379 5.053 19.013 1.00 0.00 C ATOM 10 C SER A 2 -7.831 5.359 20.437 1.00 0.00 C ATOM 11 O SER A 2 -7.960 4.459 21.266 1.00 0.00 O ATOM 12 CB SER A 2 -8.434 4.204 18.302 1.00 0.00 C ATOM 13 OG SER A 2 -8.402 2.863 18.759 1.00 0.00 O ATOM 0 H SER A 2 -5.929 3.776 19.829 1.00 0.00 H new ATOM 0 HA SER A 2 -7.260 5.995 18.478 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.423 4.627 18.476 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.261 4.229 17.226 1.00 0.00 H new ATOM 0 HG SER A 2 -8.123 2.844 19.698 1.00 0.00 H new ATOM 19 N SER A 3 -8.070 6.637 20.714 1.00 0.00 N ATOM 20 CA SER A 3 -8.505 7.064 22.038 1.00 0.00 C ATOM 21 C SER A 3 -9.965 7.506 22.015 1.00 0.00 C ATOM 22 O SER A 3 -10.264 8.692 21.882 1.00 0.00 O ATOM 23 CB SER A 3 -7.622 8.207 22.544 1.00 0.00 C ATOM 24 OG SER A 3 -6.397 7.716 23.060 1.00 0.00 O ATOM 0 H SER A 3 -7.970 7.395 20.039 1.00 0.00 H new ATOM 0 HA SER A 3 -8.412 6.215 22.715 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.424 8.905 21.730 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.150 8.763 23.319 1.00 0.00 H new ATOM 0 HG SER A 3 -5.851 8.466 23.375 1.00 0.00 H new ATOM 30 N GLY A 4 -10.871 6.542 22.146 1.00 0.00 N ATOM 31 CA GLY A 4 -12.289 6.850 22.137 1.00 0.00 C ATOM 32 C GLY A 4 -12.971 6.403 20.860 1.00 0.00 C ATOM 33 O GLY A 4 -12.734 6.966 19.791 1.00 0.00 O ATOM 0 H GLY A 4 -10.648 5.553 22.258 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.768 6.368 22.989 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.425 7.924 22.261 1.00 0.00 H new ATOM 37 N SER A 5 -13.821 5.386 20.969 1.00 0.00 N ATOM 38 CA SER A 5 -14.536 4.860 19.812 1.00 0.00 C ATOM 39 C SER A 5 -16.034 5.124 19.934 1.00 0.00 C ATOM 40 O SER A 5 -16.748 4.404 20.631 1.00 0.00 O ATOM 41 CB SER A 5 -14.281 3.358 19.669 1.00 0.00 C ATOM 42 OG SER A 5 -12.904 3.059 19.811 1.00 0.00 O ATOM 0 H SER A 5 -14.031 4.910 21.847 1.00 0.00 H new ATOM 0 HA SER A 5 -14.166 5.371 18.923 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.854 2.816 20.421 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.632 3.018 18.695 1.00 0.00 H new ATOM 0 HG SER A 5 -12.768 2.093 19.717 1.00 0.00 H new ATOM 48 N SER A 6 -16.503 6.163 19.249 1.00 0.00 N ATOM 49 CA SER A 6 -17.915 6.526 19.282 1.00 0.00 C ATOM 50 C SER A 6 -18.778 5.401 18.718 1.00 0.00 C ATOM 51 O SER A 6 -19.922 5.215 19.130 1.00 0.00 O ATOM 52 CB SER A 6 -18.151 7.812 18.489 1.00 0.00 C ATOM 53 OG SER A 6 -17.107 8.746 18.709 1.00 0.00 O ATOM 0 H SER A 6 -15.926 6.768 18.665 1.00 0.00 H new ATOM 0 HA SER A 6 -18.198 6.692 20.321 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.218 7.580 17.426 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.105 8.253 18.780 1.00 0.00 H new ATOM 0 HG SER A 6 -17.280 9.559 18.190 1.00 0.00 H new ATOM 59 N GLY A 7 -18.220 4.653 17.771 1.00 0.00 N ATOM 60 CA GLY A 7 -18.951 3.557 17.164 1.00 0.00 C ATOM 61 C GLY A 7 -18.059 2.650 16.340 1.00 0.00 C ATOM 62 O GLY A 7 -17.003 3.071 15.866 1.00 0.00 O ATOM 0 H GLY A 7 -17.274 4.787 17.413 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.436 2.972 17.945 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.741 3.959 16.529 1.00 0.00 H new ATOM 66 N ARG A 8 -18.482 1.402 16.170 1.00 0.00 N ATOM 67 CA ARG A 8 -17.712 0.432 15.400 1.00 0.00 C ATOM 68 C ARG A 8 -18.308 0.247 14.008 1.00 0.00 C ATOM 69 O ARG A 8 -18.191 -0.822 13.408 1.00 0.00 O ATOM 70 CB ARG A 8 -17.667 -0.911 16.130 1.00 0.00 C ATOM 71 CG ARG A 8 -16.532 -1.814 15.676 1.00 0.00 C ATOM 72 CD ARG A 8 -15.253 -1.533 16.448 1.00 0.00 C ATOM 73 NE ARG A 8 -14.509 -0.409 15.886 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.780 -0.491 14.779 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.697 -1.637 14.118 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.132 0.577 14.329 1.00 0.00 N ATOM 0 H ARG A 8 -19.354 1.038 16.555 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.697 0.814 15.294 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.570 -0.730 17.200 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.614 -1.429 15.979 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.819 -2.857 15.812 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.354 -1.669 14.610 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.497 -1.322 17.489 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.624 -2.423 16.443 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.552 0.488 16.370 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.194 -2.460 14.459 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.136 -1.696 13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.194 1.461 14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.572 0.513 13.479 1.00 0.00 H new ATOM 90 N LYS A 9 -18.948 1.294 13.500 1.00 0.00 N ATOM 91 CA LYS A 9 -19.562 1.249 12.178 1.00 0.00 C ATOM 92 C LYS A 9 -18.628 1.833 11.123 1.00 0.00 C ATOM 93 O LYS A 9 -19.073 2.292 10.071 1.00 0.00 O ATOM 94 CB LYS A 9 -20.887 2.015 12.182 1.00 0.00 C ATOM 95 CG LYS A 9 -22.079 1.168 12.593 1.00 0.00 C ATOM 96 CD LYS A 9 -22.821 0.626 11.382 1.00 0.00 C ATOM 97 CE LYS A 9 -22.245 -0.705 10.925 1.00 0.00 C ATOM 98 NZ LYS A 9 -22.463 -1.779 11.934 1.00 0.00 N ATOM 0 H LYS A 9 -19.055 2.185 13.984 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.753 0.205 11.930 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -20.804 2.864 12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -21.066 2.420 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -21.741 0.339 13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.759 1.765 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -23.876 0.502 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -22.765 1.347 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -22.705 -0.995 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -21.177 -0.594 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -22.477 -2.704 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -21.693 -1.761 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -23.371 -1.623 12.416 1.00 0.00 H new ATOM 112 N LYS A 10 -17.331 1.812 11.411 1.00 0.00 N ATOM 113 CA LYS A 10 -16.333 2.337 10.487 1.00 0.00 C ATOM 114 C LYS A 10 -16.182 1.425 9.274 1.00 0.00 C ATOM 115 O LYS A 10 -16.945 0.474 9.101 1.00 0.00 O ATOM 116 CB LYS A 10 -14.984 2.490 11.193 1.00 0.00 C ATOM 117 CG LYS A 10 -15.040 3.378 12.425 1.00 0.00 C ATOM 118 CD LYS A 10 -14.815 4.838 12.070 1.00 0.00 C ATOM 119 CE LYS A 10 -16.131 5.564 11.836 1.00 0.00 C ATOM 120 NZ LYS A 10 -16.706 6.093 13.104 1.00 0.00 N ATOM 0 H LYS A 10 -16.946 1.437 12.278 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.671 3.315 10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.621 1.504 11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.260 2.903 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.009 3.266 12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.284 3.056 13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.266 5.328 12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.197 4.905 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.973 6.386 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.844 4.883 11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.602 6.581 12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.881 5.306 13.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.037 6.762 13.536 1.00 0.00 H new ATOM 134 N ARG A 11 -15.193 1.720 8.437 1.00 0.00 N ATOM 135 CA ARG A 11 -14.943 0.926 7.240 1.00 0.00 C ATOM 136 C ARG A 11 -13.446 0.805 6.971 1.00 0.00 C ATOM 137 O ARG A 11 -12.625 1.325 7.728 1.00 0.00 O ATOM 138 CB ARG A 11 -15.640 1.552 6.031 1.00 0.00 C ATOM 139 CG ARG A 11 -17.112 1.190 5.921 1.00 0.00 C ATOM 140 CD ARG A 11 -17.609 1.305 4.488 1.00 0.00 C ATOM 141 NE ARG A 11 -17.447 2.657 3.960 1.00 0.00 N ATOM 142 CZ ARG A 11 -17.507 2.953 2.667 1.00 0.00 C ATOM 143 NH1 ARG A 11 -17.724 1.997 1.774 1.00 0.00 N ATOM 144 NH2 ARG A 11 -17.351 4.207 2.264 1.00 0.00 N ATOM 0 H ARG A 11 -14.552 2.503 8.566 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.347 -0.073 7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.545 2.636 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.128 1.235 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.265 0.172 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.698 1.846 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.064 0.602 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.661 1.023 4.445 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.279 3.416 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.845 1.032 2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.770 2.227 0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.185 4.945 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.397 4.433 1.270 1.00 0.00 H new ATOM 158 N ILE A 12 -13.098 0.116 5.889 1.00 0.00 N ATOM 159 CA ILE A 12 -11.700 -0.072 5.521 1.00 0.00 C ATOM 160 C ILE A 12 -10.960 1.260 5.474 1.00 0.00 C ATOM 161 O ILE A 12 -11.449 2.252 4.933 1.00 0.00 O ATOM 162 CB ILE A 12 -11.567 -0.769 4.154 1.00 0.00 C ATOM 163 CG1 ILE A 12 -12.307 -2.108 4.166 1.00 0.00 C ATOM 164 CG2 ILE A 12 -10.101 -0.972 3.803 1.00 0.00 C ATOM 165 CD1 ILE A 12 -11.815 -3.062 5.232 1.00 0.00 C ATOM 0 H ILE A 12 -13.765 -0.321 5.252 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.254 -0.705 6.288 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.018 -0.132 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.371 -1.924 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.201 -2.581 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.024 -1.466 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.600 -0.005 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.627 -1.591 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.385 -3.990 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.759 -3.276 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.947 -2.609 6.215 1.00 0.00 H new ATOM 177 N PRO A 13 -9.750 1.285 6.052 1.00 0.00 N ATOM 178 CA PRO A 13 -8.914 2.489 6.087 1.00 0.00 C ATOM 179 C PRO A 13 -8.170 2.717 4.776 1.00 0.00 C ATOM 180 O PRO A 13 -8.436 2.050 3.776 1.00 0.00 O ATOM 181 CB PRO A 13 -7.926 2.202 7.220 1.00 0.00 C ATOM 182 CG PRO A 13 -7.843 0.715 7.283 1.00 0.00 C ATOM 183 CD PRO A 13 -9.104 0.140 6.716 1.00 0.00 C ATOM 0 HA PRO A 13 -9.506 3.392 6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.951 2.645 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.275 2.619 8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.979 0.360 6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.708 0.387 8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.894 -0.664 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.739 -0.279 7.497 1.00 0.00 H new ATOM 191 N TYR A 14 -7.236 3.661 4.788 1.00 0.00 N ATOM 192 CA TYR A 14 -6.455 3.978 3.598 1.00 0.00 C ATOM 193 C TYR A 14 -7.347 4.532 2.492 1.00 0.00 C ATOM 194 O TYR A 14 -8.155 3.808 1.910 1.00 0.00 O ATOM 195 CB TYR A 14 -5.718 2.734 3.100 1.00 0.00 C ATOM 196 CG TYR A 14 -4.974 1.994 4.190 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.896 2.579 4.842 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.350 0.711 4.566 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.213 1.906 5.837 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.674 0.031 5.561 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.606 0.633 6.193 1.00 0.00 C ATOM 202 OH TYR A 14 -2.929 -0.040 7.185 1.00 0.00 O ATOM 0 H TYR A 14 -7.001 4.220 5.608 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.725 4.741 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.436 2.057 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.011 3.027 2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.587 3.576 4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.185 0.237 4.072 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.376 2.374 6.333 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.980 -0.966 5.842 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.333 -0.924 7.315 1.00 0.00 H new ATOM 212 N SER A 15 -7.193 5.820 2.205 1.00 0.00 N ATOM 213 CA SER A 15 -7.986 6.473 1.170 1.00 0.00 C ATOM 214 C SER A 15 -7.584 5.978 -0.216 1.00 0.00 C ATOM 215 O SER A 15 -6.557 5.321 -0.379 1.00 0.00 O ATOM 216 CB SER A 15 -7.817 7.992 1.251 1.00 0.00 C ATOM 217 OG SER A 15 -8.741 8.653 0.404 1.00 0.00 O ATOM 0 H SER A 15 -6.526 6.433 2.675 1.00 0.00 H new ATOM 0 HA SER A 15 -9.033 6.222 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.960 8.323 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.800 8.264 0.968 1.00 0.00 H new ATOM 0 HG SER A 15 -8.614 9.622 0.475 1.00 0.00 H new ATOM 223 N LYS A 16 -8.403 6.299 -1.212 1.00 0.00 N ATOM 224 CA LYS A 16 -8.135 5.889 -2.585 1.00 0.00 C ATOM 225 C LYS A 16 -6.735 6.314 -3.016 1.00 0.00 C ATOM 226 O LYS A 16 -6.036 5.574 -3.706 1.00 0.00 O ATOM 227 CB LYS A 16 -9.177 6.491 -3.531 1.00 0.00 C ATOM 228 CG LYS A 16 -9.096 5.950 -4.948 1.00 0.00 C ATOM 229 CD LYS A 16 -10.210 6.504 -5.821 1.00 0.00 C ATOM 230 CE LYS A 16 -11.448 5.621 -5.771 1.00 0.00 C ATOM 231 NZ LYS A 16 -12.248 5.857 -4.537 1.00 0.00 N ATOM 0 H LYS A 16 -9.258 6.842 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.196 4.802 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.173 6.296 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.050 7.573 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.130 6.208 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.156 4.862 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.466 7.511 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.861 6.585 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.067 5.813 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.149 4.574 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.255 5.690 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.932 5.207 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.116 6.839 -4.220 1.00 0.00 H new ATOM 245 N GLY A 17 -6.332 7.512 -2.604 1.00 0.00 N ATOM 246 CA GLY A 17 -5.017 8.014 -2.956 1.00 0.00 C ATOM 247 C GLY A 17 -3.901 7.242 -2.280 1.00 0.00 C ATOM 248 O GLY A 17 -2.847 7.015 -2.874 1.00 0.00 O ATOM 0 H GLY A 17 -6.893 8.144 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.889 7.960 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.947 9.066 -2.678 1.00 0.00 H new ATOM 252 N GLN A 18 -4.132 6.840 -1.035 1.00 0.00 N ATOM 253 CA GLN A 18 -3.137 6.091 -0.277 1.00 0.00 C ATOM 254 C GLN A 18 -3.009 4.667 -0.805 1.00 0.00 C ATOM 255 O GLN A 18 -1.902 4.161 -0.997 1.00 0.00 O ATOM 256 CB GLN A 18 -3.508 6.066 1.207 1.00 0.00 C ATOM 257 CG GLN A 18 -3.441 7.430 1.874 1.00 0.00 C ATOM 258 CD GLN A 18 -4.089 7.442 3.245 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.312 7.503 3.365 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.269 7.383 4.288 1.00 0.00 N ATOM 0 H GLN A 18 -4.999 7.020 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.175 6.591 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.517 5.668 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.838 5.382 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.398 7.734 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.932 8.166 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.261 7.333 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.647 7.387 5.235 1.00 0.00 H new ATOM 269 N LEU A 19 -4.147 4.023 -1.039 1.00 0.00 N ATOM 270 CA LEU A 19 -4.163 2.655 -1.546 1.00 0.00 C ATOM 271 C LEU A 19 -3.653 2.601 -2.983 1.00 0.00 C ATOM 272 O LEU A 19 -3.142 1.575 -3.432 1.00 0.00 O ATOM 273 CB LEU A 19 -5.578 2.079 -1.473 1.00 0.00 C ATOM 274 CG LEU A 19 -6.167 1.923 -0.071 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.681 1.791 -0.140 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.557 0.720 0.634 1.00 0.00 C ATOM 0 H LEU A 19 -5.071 4.426 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.501 2.055 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.240 2.720 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.576 1.102 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.926 2.817 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.083 1.681 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.103 2.683 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.943 0.915 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.988 0.625 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.767 -0.183 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.479 0.855 0.717 1.00 0.00 H new ATOM 288 N ARG A 20 -3.793 3.713 -3.697 1.00 0.00 N ATOM 289 CA ARG A 20 -3.345 3.792 -5.082 1.00 0.00 C ATOM 290 C ARG A 20 -1.870 3.419 -5.200 1.00 0.00 C ATOM 291 O ARG A 20 -1.450 2.813 -6.185 1.00 0.00 O ATOM 292 CB ARG A 20 -3.572 5.201 -5.634 1.00 0.00 C ATOM 293 CG ARG A 20 -2.996 5.409 -7.025 1.00 0.00 C ATOM 294 CD ARG A 20 -1.580 5.960 -6.966 1.00 0.00 C ATOM 295 NE ARG A 20 -1.338 6.962 -8.000 1.00 0.00 N ATOM 296 CZ ARG A 20 -1.736 8.225 -7.907 1.00 0.00 C ATOM 297 NH1 ARG A 20 -2.392 8.639 -6.831 1.00 0.00 N ATOM 298 NH2 ARG A 20 -1.479 9.078 -8.890 1.00 0.00 N ATOM 0 H ARG A 20 -4.213 4.571 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.929 3.081 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.643 5.404 -5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.126 5.925 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.997 4.462 -7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.632 6.096 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.404 6.402 -5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.868 5.143 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.835 6.676 -8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.592 7.986 -6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.697 9.610 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.975 8.764 -9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.786 10.048 -8.817 1.00 0.00 H new ATOM 312 N GLU A 21 -1.090 3.785 -4.188 1.00 0.00 N ATOM 313 CA GLU A 21 0.338 3.490 -4.179 1.00 0.00 C ATOM 314 C GLU A 21 0.599 2.084 -3.646 1.00 0.00 C ATOM 315 O GLU A 21 1.488 1.380 -4.129 1.00 0.00 O ATOM 316 CB GLU A 21 1.088 4.517 -3.328 1.00 0.00 C ATOM 317 CG GLU A 21 0.980 5.938 -3.854 1.00 0.00 C ATOM 318 CD GLU A 21 1.436 6.063 -5.295 1.00 0.00 C ATOM 319 OE1 GLU A 21 2.259 5.232 -5.732 1.00 0.00 O ATOM 320 OE2 GLU A 21 0.968 6.993 -5.986 1.00 0.00 O ATOM 0 H GLU A 21 -1.423 4.286 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 21 0.701 3.545 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.701 4.485 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.140 4.236 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.054 6.274 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.579 6.600 -3.228 1.00 0.00 H new ATOM 327 N LEU A 22 -0.180 1.681 -2.649 1.00 0.00 N ATOM 328 CA LEU A 22 -0.034 0.359 -2.050 1.00 0.00 C ATOM 329 C LEU A 22 -0.355 -0.736 -3.061 1.00 0.00 C ATOM 330 O LEU A 22 0.457 -1.629 -3.302 1.00 0.00 O ATOM 331 CB LEU A 22 -0.947 0.227 -0.830 1.00 0.00 C ATOM 332 CG LEU A 22 -0.589 1.097 0.375 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.726 1.107 1.384 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.698 0.606 1.023 1.00 0.00 C ATOM 0 H LEU A 22 -0.920 2.251 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 22 1.003 0.243 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.965 0.467 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.947 -0.816 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.431 2.118 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.452 1.731 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.625 1.506 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.917 0.090 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.938 1.237 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.568 -0.424 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.511 0.653 0.299 1.00 0.00 H new ATOM 346 N GLU A 23 -1.544 -0.660 -3.651 1.00 0.00 N ATOM 347 CA GLU A 23 -1.971 -1.644 -4.638 1.00 0.00 C ATOM 348 C GLU A 23 -0.981 -1.718 -5.797 1.00 0.00 C ATOM 349 O GLU A 23 -0.619 -2.804 -6.250 1.00 0.00 O ATOM 350 CB GLU A 23 -3.365 -1.299 -5.165 1.00 0.00 C ATOM 351 CG GLU A 23 -4.453 -1.376 -4.107 1.00 0.00 C ATOM 352 CD GLU A 23 -5.788 -0.858 -4.604 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.850 -0.392 -5.761 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.772 -0.919 -3.836 1.00 0.00 O ATOM 0 H GLU A 23 -2.228 0.073 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.006 -2.618 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.347 -0.292 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.614 -1.978 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.567 -2.410 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.147 -0.800 -3.234 1.00 0.00 H new ATOM 361 N ARG A 24 -0.548 -0.555 -6.272 1.00 0.00 N ATOM 362 CA ARG A 24 0.399 -0.487 -7.379 1.00 0.00 C ATOM 363 C ARG A 24 1.713 -1.171 -7.014 1.00 0.00 C ATOM 364 O ARG A 24 2.166 -2.077 -7.712 1.00 0.00 O ATOM 365 CB ARG A 24 0.660 0.970 -7.765 1.00 0.00 C ATOM 366 CG ARG A 24 -0.299 1.503 -8.817 1.00 0.00 C ATOM 367 CD ARG A 24 0.367 2.544 -9.702 1.00 0.00 C ATOM 368 NE ARG A 24 1.172 1.932 -10.756 1.00 0.00 N ATOM 369 CZ ARG A 24 0.654 1.281 -11.792 1.00 0.00 C ATOM 370 NH1 ARG A 24 -0.661 1.159 -11.912 1.00 0.00 N ATOM 371 NH2 ARG A 24 1.452 0.751 -12.710 1.00 0.00 N ATOM 0 H ARG A 24 -0.838 0.353 -5.908 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.038 -1.009 -8.230 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.589 1.592 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.681 1.061 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.661 0.679 -9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.169 1.942 -8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.396 3.179 -10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.999 3.188 -9.091 1.00 0.00 H new ATOM 0 HE ARG A 24 2.187 2.009 -10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.277 1.565 -11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.056 0.659 -12.708 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.464 0.843 -12.621 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.054 0.251 -13.505 1.00 0.00 H new ATOM 385 N GLU A 25 2.318 -0.730 -5.915 1.00 0.00 N ATOM 386 CA GLU A 25 3.581 -1.300 -5.459 1.00 0.00 C ATOM 387 C GLU A 25 3.445 -2.800 -5.216 1.00 0.00 C ATOM 388 O GLU A 25 4.270 -3.592 -5.672 1.00 0.00 O ATOM 389 CB GLU A 25 4.046 -0.605 -4.178 1.00 0.00 C ATOM 390 CG GLU A 25 4.986 0.563 -4.426 1.00 0.00 C ATOM 391 CD GLU A 25 4.545 1.430 -5.589 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.822 1.053 -6.747 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.925 2.485 -5.341 1.00 0.00 O ATOM 0 H GLU A 25 1.955 0.019 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 25 4.324 -1.142 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.173 -0.248 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.546 -1.334 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.046 1.174 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.989 0.183 -4.621 1.00 0.00 H new ATOM 400 N TYR A 26 2.397 -3.184 -4.495 1.00 0.00 N ATOM 401 CA TYR A 26 2.153 -4.588 -4.188 1.00 0.00 C ATOM 402 C TYR A 26 1.984 -5.404 -5.466 1.00 0.00 C ATOM 403 O TYR A 26 2.599 -6.456 -5.630 1.00 0.00 O ATOM 404 CB TYR A 26 0.910 -4.731 -3.309 1.00 0.00 C ATOM 405 CG TYR A 26 0.526 -6.168 -3.032 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.428 -7.047 -2.445 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.738 -6.645 -3.356 1.00 0.00 C ATOM 408 CE1 TYR A 26 1.082 -8.360 -2.190 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.093 -7.956 -3.104 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.179 -8.810 -2.521 1.00 0.00 C ATOM 411 OH TYR A 26 -0.528 -10.116 -2.268 1.00 0.00 O ATOM 0 H TYR A 26 1.703 -2.542 -4.112 1.00 0.00 H new ATOM 0 HA TYR A 26 3.018 -4.971 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.085 -4.221 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.073 -4.227 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.416 -6.698 -2.184 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.455 -5.979 -3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.795 -9.031 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.080 -8.311 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.451 -10.270 -2.560 1.00 0.00 H new ATOM 421 N ALA A 27 1.144 -4.908 -6.369 1.00 0.00 N ATOM 422 CA ALA A 27 0.894 -5.587 -7.634 1.00 0.00 C ATOM 423 C ALA A 27 2.197 -5.853 -8.381 1.00 0.00 C ATOM 424 O ALA A 27 2.297 -6.806 -9.153 1.00 0.00 O ATOM 425 CB ALA A 27 -0.053 -4.766 -8.496 1.00 0.00 C ATOM 0 H ALA A 27 0.625 -4.038 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 27 0.428 -6.548 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.231 -5.285 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.999 -4.632 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.391 -3.791 -8.698 1.00 0.00 H new ATOM 431 N ALA A 28 3.191 -5.003 -8.147 1.00 0.00 N ATOM 432 CA ALA A 28 4.488 -5.147 -8.798 1.00 0.00 C ATOM 433 C ALA A 28 5.375 -6.130 -8.041 1.00 0.00 C ATOM 434 O ALA A 28 6.180 -6.842 -8.640 1.00 0.00 O ATOM 435 CB ALA A 28 5.174 -3.794 -8.912 1.00 0.00 C ATOM 0 H ALA A 28 3.124 -4.208 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 28 4.323 -5.544 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.141 -3.916 -9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.553 -3.120 -9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.320 -3.375 -7.916 1.00 0.00 H new ATOM 441 N ASN A 29 5.223 -6.162 -6.721 1.00 0.00 N ATOM 442 CA ASN A 29 6.012 -7.057 -5.883 1.00 0.00 C ATOM 443 C ASN A 29 5.298 -7.337 -4.564 1.00 0.00 C ATOM 444 O ASN A 29 4.804 -6.422 -3.906 1.00 0.00 O ATOM 445 CB ASN A 29 7.391 -6.452 -5.611 1.00 0.00 C ATOM 446 CG ASN A 29 7.304 -5.073 -4.986 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.489 -4.913 -3.780 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.021 -4.069 -5.808 1.00 0.00 N ATOM 0 H ASN A 29 4.561 -5.579 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 29 6.135 -7.999 -6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.951 -7.113 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.948 -6.390 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.949 -3.118 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.875 -4.249 -6.801 1.00 0.00 H new ATOM 455 N LYS A 30 5.248 -8.609 -4.183 1.00 0.00 N ATOM 456 CA LYS A 30 4.597 -9.012 -2.942 1.00 0.00 C ATOM 457 C LYS A 30 5.337 -8.449 -1.732 1.00 0.00 C ATOM 458 O LYS A 30 4.718 -8.002 -0.766 1.00 0.00 O ATOM 459 CB LYS A 30 4.531 -10.538 -2.848 1.00 0.00 C ATOM 460 CG LYS A 30 3.974 -11.200 -4.096 1.00 0.00 C ATOM 461 CD LYS A 30 2.521 -10.821 -4.327 1.00 0.00 C ATOM 462 CE LYS A 30 1.905 -11.634 -5.456 1.00 0.00 C ATOM 463 NZ LYS A 30 1.622 -13.035 -5.039 1.00 0.00 N ATOM 0 H LYS A 30 5.651 -9.379 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 30 3.584 -8.611 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.532 -10.926 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.913 -10.815 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.569 -10.907 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.058 -12.283 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.952 -10.980 -3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.454 -9.759 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.980 -11.159 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.581 -11.639 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.111 -13.527 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.518 -13.528 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.039 -13.030 -4.178 1.00 0.00 H new ATOM 477 N PHE A 31 6.664 -8.473 -1.792 1.00 0.00 N ATOM 478 CA PHE A 31 7.488 -7.964 -0.701 1.00 0.00 C ATOM 479 C PHE A 31 8.293 -6.748 -1.149 1.00 0.00 C ATOM 480 O PHE A 31 9.057 -6.817 -2.113 1.00 0.00 O ATOM 481 CB PHE A 31 8.432 -9.057 -0.195 1.00 0.00 C ATOM 482 CG PHE A 31 7.748 -10.100 0.642 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.236 -9.780 1.889 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.618 -11.400 0.182 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.605 -10.737 2.662 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.988 -12.361 0.950 1.00 0.00 C ATOM 487 CZ PHE A 31 6.483 -12.030 2.192 1.00 0.00 C ATOM 0 H PHE A 31 7.192 -8.839 -2.584 1.00 0.00 H new ATOM 0 HA PHE A 31 6.826 -7.660 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.905 -9.541 -1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.227 -8.596 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.331 -8.771 2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.013 -11.666 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.208 -10.474 3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.891 -13.371 0.579 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.994 -12.781 2.795 1.00 0.00 H new ATOM 497 N ILE A 32 8.116 -5.636 -0.443 1.00 0.00 N ATOM 498 CA ILE A 32 8.826 -4.405 -0.767 1.00 0.00 C ATOM 499 C ILE A 32 10.121 -4.292 0.029 1.00 0.00 C ATOM 500 O ILE A 32 10.398 -5.110 0.907 1.00 0.00 O ATOM 501 CB ILE A 32 7.956 -3.165 -0.491 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.707 -3.014 1.011 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.638 -3.263 -1.244 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.917 -1.776 1.372 1.00 0.00 C ATOM 0 H ILE A 32 7.487 -5.562 0.357 1.00 0.00 H new ATOM 0 HA ILE A 32 9.059 -4.445 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 32 8.488 -2.281 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.174 -3.893 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.666 -2.987 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.035 -2.379 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.834 -3.327 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.099 -4.153 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.779 -1.735 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.458 -0.890 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.944 -1.810 0.883 1.00 0.00 H new ATOM 516 N THR A 33 10.913 -3.270 -0.282 1.00 0.00 N ATOM 517 CA THR A 33 12.180 -3.048 0.404 1.00 0.00 C ATOM 518 C THR A 33 12.109 -1.822 1.307 1.00 0.00 C ATOM 519 O THR A 33 11.253 -0.954 1.127 1.00 0.00 O ATOM 520 CB THR A 33 13.337 -2.869 -0.596 1.00 0.00 C ATOM 521 OG1 THR A 33 14.512 -2.423 0.089 1.00 0.00 O ATOM 522 CG2 THR A 33 12.965 -1.868 -1.680 1.00 0.00 C ATOM 0 H THR A 33 10.699 -2.583 -1.005 1.00 0.00 H new ATOM 0 HA THR A 33 12.369 -3.933 1.012 1.00 0.00 H new ATOM 0 HB THR A 33 13.535 -3.833 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.244 -2.313 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.798 -1.758 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.087 -2.225 -2.219 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.743 -0.903 -1.224 1.00 0.00 H new ATOM 530 N LYS A 34 13.012 -1.755 2.278 1.00 0.00 N ATOM 531 CA LYS A 34 13.054 -0.633 3.209 1.00 0.00 C ATOM 532 C LYS A 34 13.071 0.695 2.459 1.00 0.00 C ATOM 533 O LYS A 34 12.412 1.654 2.862 1.00 0.00 O ATOM 534 CB LYS A 34 14.286 -0.738 4.111 1.00 0.00 C ATOM 535 CG LYS A 34 14.016 -1.439 5.431 1.00 0.00 C ATOM 536 CD LYS A 34 15.162 -1.246 6.410 1.00 0.00 C ATOM 537 CE LYS A 34 16.388 -2.045 5.997 1.00 0.00 C ATOM 538 NZ LYS A 34 17.261 -1.279 5.064 1.00 0.00 N ATOM 0 H LYS A 34 13.726 -2.465 2.442 1.00 0.00 H new ATOM 0 HA LYS A 34 12.156 -0.670 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.071 -1.275 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.665 0.264 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.095 -1.053 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.863 -2.504 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.418 -0.188 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.846 -1.552 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.958 -2.320 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.073 -2.973 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.346 -1.795 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.843 -0.343 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.204 -1.163 5.487 1.00 0.00 H new ATOM 552 N ASP A 35 13.826 0.744 1.368 1.00 0.00 N ATOM 553 CA ASP A 35 13.926 1.954 0.560 1.00 0.00 C ATOM 554 C ASP A 35 12.581 2.301 -0.069 1.00 0.00 C ATOM 555 O ASP A 35 12.259 3.472 -0.267 1.00 0.00 O ATOM 556 CB ASP A 35 14.984 1.779 -0.531 1.00 0.00 C ATOM 557 CG ASP A 35 16.385 2.068 -0.031 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.951 1.209 0.678 1.00 0.00 O ATOM 559 OD2 ASP A 35 16.917 3.153 -0.347 1.00 0.00 O ATOM 0 H ASP A 35 14.378 -0.041 1.022 1.00 0.00 H new ATOM 0 HA ASP A 35 14.222 2.774 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.941 0.759 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.755 2.443 -1.365 1.00 0.00 H new ATOM 564 N LYS A 36 11.798 1.274 -0.382 1.00 0.00 N ATOM 565 CA LYS A 36 10.486 1.468 -0.988 1.00 0.00 C ATOM 566 C LYS A 36 9.471 1.936 0.049 1.00 0.00 C ATOM 567 O LYS A 36 8.764 2.922 -0.161 1.00 0.00 O ATOM 568 CB LYS A 36 10.005 0.169 -1.639 1.00 0.00 C ATOM 569 CG LYS A 36 8.558 0.218 -2.098 1.00 0.00 C ATOM 570 CD LYS A 36 8.345 1.289 -3.155 1.00 0.00 C ATOM 571 CE LYS A 36 9.005 0.910 -4.472 1.00 0.00 C ATOM 572 NZ LYS A 36 10.389 1.451 -4.574 1.00 0.00 N ATOM 0 H LYS A 36 12.050 0.298 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 36 10.578 2.239 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.641 -0.056 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.125 -0.649 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.269 -0.753 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.911 0.415 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.277 1.440 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.752 2.236 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.031 -0.176 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.406 1.287 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.541 1.838 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.520 2.204 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.074 0.688 -4.397 1.00 0.00 H new ATOM 586 N ARG A 37 9.405 1.224 1.169 1.00 0.00 N ATOM 587 CA ARG A 37 8.476 1.567 2.239 1.00 0.00 C ATOM 588 C ARG A 37 8.710 2.995 2.725 1.00 0.00 C ATOM 589 O ARG A 37 7.787 3.660 3.195 1.00 0.00 O ATOM 590 CB ARG A 37 8.625 0.589 3.406 1.00 0.00 C ATOM 591 CG ARG A 37 7.304 0.216 4.060 1.00 0.00 C ATOM 592 CD ARG A 37 7.473 -0.937 5.038 1.00 0.00 C ATOM 593 NE ARG A 37 8.202 -2.055 4.444 1.00 0.00 N ATOM 594 CZ ARG A 37 8.706 -3.061 5.150 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.561 -3.088 6.468 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.357 -4.042 4.539 1.00 0.00 N ATOM 0 H ARG A 37 9.984 0.406 1.359 1.00 0.00 H new ATOM 0 HA ARG A 37 7.463 1.497 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.113 -0.318 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.281 1.030 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.898 1.082 4.583 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.581 -0.060 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.004 -0.587 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.492 -1.278 5.369 1.00 0.00 H new ATOM 0 HE ARG A 37 8.331 -2.064 3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.062 -2.335 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.949 -3.862 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.471 -4.025 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.743 -4.814 5.083 1.00 0.00 H new ATOM 610 N ARG A 38 9.950 3.458 2.610 1.00 0.00 N ATOM 611 CA ARG A 38 10.306 4.805 3.039 1.00 0.00 C ATOM 612 C ARG A 38 9.624 5.852 2.164 1.00 0.00 C ATOM 613 O ARG A 38 9.258 6.929 2.636 1.00 0.00 O ATOM 614 CB ARG A 38 11.823 4.994 2.991 1.00 0.00 C ATOM 615 CG ARG A 38 12.543 4.460 4.218 1.00 0.00 C ATOM 616 CD ARG A 38 14.051 4.608 4.088 1.00 0.00 C ATOM 617 NE ARG A 38 14.482 5.994 4.255 1.00 0.00 N ATOM 618 CZ ARG A 38 15.754 6.374 4.240 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.716 5.478 4.066 1.00 0.00 N ATOM 620 NH2 ARG A 38 16.067 7.654 4.398 1.00 0.00 N ATOM 0 H ARG A 38 10.725 2.920 2.223 1.00 0.00 H new ATOM 0 HA ARG A 38 9.963 4.935 4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.215 4.495 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.045 6.056 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.199 4.994 5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.290 3.409 4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.542 3.983 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.368 4.245 3.110 1.00 0.00 H new ATOM 0 HE ARG A 38 13.767 6.708 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.480 4.493 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.692 5.773 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.330 8.347 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.044 7.945 4.386 1.00 0.00 H new ATOM 634 N LYS A 39 9.456 5.529 0.886 1.00 0.00 N ATOM 635 CA LYS A 39 8.817 6.440 -0.056 1.00 0.00 C ATOM 636 C LYS A 39 7.299 6.390 0.082 1.00 0.00 C ATOM 637 O LYS A 39 6.640 7.426 0.171 1.00 0.00 O ATOM 638 CB LYS A 39 9.221 6.090 -1.490 1.00 0.00 C ATOM 639 CG LYS A 39 10.696 6.310 -1.777 1.00 0.00 C ATOM 640 CD LYS A 39 11.010 7.782 -1.988 1.00 0.00 C ATOM 641 CE LYS A 39 12.266 7.970 -2.824 1.00 0.00 C ATOM 642 NZ LYS A 39 11.970 7.941 -4.283 1.00 0.00 N ATOM 0 H LYS A 39 9.754 4.642 0.479 1.00 0.00 H new ATOM 0 HA LYS A 39 9.152 7.452 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.973 5.046 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.631 6.691 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.290 5.926 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.983 5.745 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.168 8.268 -2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.139 8.270 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.734 8.920 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.983 7.186 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.852 8.072 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.546 7.025 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.305 8.705 -4.518 1.00 0.00 H new ATOM 656 N ILE A 40 6.751 5.180 0.101 1.00 0.00 N ATOM 657 CA ILE A 40 5.311 4.996 0.232 1.00 0.00 C ATOM 658 C ILE A 40 4.772 5.727 1.456 1.00 0.00 C ATOM 659 O ILE A 40 3.668 6.270 1.431 1.00 0.00 O ATOM 660 CB ILE A 40 4.941 3.504 0.335 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.420 2.751 -0.908 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.439 3.342 0.513 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.094 1.274 -0.882 1.00 0.00 C ATOM 0 H ILE A 40 7.282 4.312 0.027 1.00 0.00 H new ATOM 0 HA ILE A 40 4.857 5.414 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 40 5.438 3.081 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.967 3.200 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.499 2.875 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.193 2.282 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.124 3.850 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.922 3.778 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.463 0.804 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.570 0.812 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.014 1.141 -0.816 1.00 0.00 H new ATOM 675 N SER A 41 5.560 5.739 2.527 1.00 0.00 N ATOM 676 CA SER A 41 5.162 6.403 3.762 1.00 0.00 C ATOM 677 C SER A 41 5.090 7.914 3.568 1.00 0.00 C ATOM 678 O SER A 41 4.346 8.606 4.264 1.00 0.00 O ATOM 679 CB SER A 41 6.145 6.067 4.886 1.00 0.00 C ATOM 680 OG SER A 41 6.254 7.141 5.805 1.00 0.00 O ATOM 0 H SER A 41 6.478 5.296 2.564 1.00 0.00 H new ATOM 0 HA SER A 41 4.171 6.042 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.813 5.170 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.125 5.845 4.463 1.00 0.00 H new ATOM 0 HG SER A 41 5.499 7.115 6.429 1.00 0.00 H new ATOM 686 N ALA A 42 5.869 8.420 2.618 1.00 0.00 N ATOM 687 CA ALA A 42 5.893 9.849 2.330 1.00 0.00 C ATOM 688 C ALA A 42 4.775 10.234 1.368 1.00 0.00 C ATOM 689 O ALA A 42 4.189 11.310 1.481 1.00 0.00 O ATOM 690 CB ALA A 42 7.245 10.249 1.758 1.00 0.00 C ATOM 0 H ALA A 42 6.492 7.862 2.035 1.00 0.00 H new ATOM 0 HA ALA A 42 5.733 10.386 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.249 11.318 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.028 10.018 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.428 9.697 0.836 1.00 0.00 H new ATOM 696 N ALA A 43 4.484 9.348 0.421 1.00 0.00 N ATOM 697 CA ALA A 43 3.435 9.595 -0.560 1.00 0.00 C ATOM 698 C ALA A 43 2.052 9.409 0.056 1.00 0.00 C ATOM 699 O ALA A 43 1.227 10.323 0.044 1.00 0.00 O ATOM 700 CB ALA A 43 3.608 8.677 -1.761 1.00 0.00 C ATOM 0 H ALA A 43 4.960 8.453 0.313 1.00 0.00 H new ATOM 0 HA ALA A 43 3.520 10.630 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.817 8.873 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.578 8.862 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.553 7.638 -1.436 1.00 0.00 H new ATOM 706 N THR A 44 1.804 8.219 0.593 1.00 0.00 N ATOM 707 CA THR A 44 0.521 7.912 1.212 1.00 0.00 C ATOM 708 C THR A 44 0.422 8.523 2.605 1.00 0.00 C ATOM 709 O THR A 44 -0.641 8.512 3.224 1.00 0.00 O ATOM 710 CB THR A 44 0.295 6.391 1.314 1.00 0.00 C ATOM 711 OG1 THR A 44 1.235 5.817 2.229 1.00 0.00 O ATOM 712 CG2 THR A 44 0.438 5.731 -0.049 1.00 0.00 C ATOM 0 H THR A 44 2.475 7.451 0.612 1.00 0.00 H new ATOM 0 HA THR A 44 -0.249 8.344 0.573 1.00 0.00 H new ATOM 0 HB THR A 44 -0.718 6.219 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.141 6.101 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.274 4.658 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.298 6.150 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.440 5.912 -0.437 1.00 0.00 H new ATOM 720 N SER A 45 1.538 9.056 3.093 1.00 0.00 N ATOM 721 CA SER A 45 1.578 9.669 4.415 1.00 0.00 C ATOM 722 C SER A 45 1.287 8.638 5.501 1.00 0.00 C ATOM 723 O SER A 45 0.704 8.959 6.538 1.00 0.00 O ATOM 724 CB SER A 45 0.567 10.815 4.500 1.00 0.00 C ATOM 725 OG SER A 45 0.470 11.501 3.264 1.00 0.00 O ATOM 0 H SER A 45 2.426 9.075 2.592 1.00 0.00 H new ATOM 0 HA SER A 45 2.581 10.066 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.411 10.422 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.866 11.511 5.284 1.00 0.00 H new ATOM 0 HG SER A 45 -0.183 12.227 3.343 1.00 0.00 H new ATOM 731 N LEU A 46 1.696 7.399 5.256 1.00 0.00 N ATOM 732 CA LEU A 46 1.481 6.318 6.212 1.00 0.00 C ATOM 733 C LEU A 46 2.778 5.959 6.930 1.00 0.00 C ATOM 734 O LEU A 46 3.824 6.555 6.677 1.00 0.00 O ATOM 735 CB LEU A 46 0.920 5.085 5.501 1.00 0.00 C ATOM 736 CG LEU A 46 -0.500 5.218 4.948 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.725 4.229 3.814 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.525 5.007 6.053 1.00 0.00 C ATOM 0 H LEU A 46 2.179 7.117 4.403 1.00 0.00 H new ATOM 0 HA LEU A 46 0.760 6.661 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.587 4.830 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.940 4.247 6.198 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.623 6.227 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.740 4.338 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.013 4.426 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.583 3.213 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.529 5.105 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.403 4.010 6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.378 5.754 6.833 1.00 0.00 H new ATOM 750 N SER A 47 2.701 4.979 7.825 1.00 0.00 N ATOM 751 CA SER A 47 3.869 4.541 8.581 1.00 0.00 C ATOM 752 C SER A 47 4.462 3.272 7.977 1.00 0.00 C ATOM 753 O SER A 47 3.751 2.470 7.371 1.00 0.00 O ATOM 754 CB SER A 47 3.493 4.297 10.043 1.00 0.00 C ATOM 755 OG SER A 47 4.569 4.620 10.907 1.00 0.00 O ATOM 0 H SER A 47 1.843 4.474 8.044 1.00 0.00 H new ATOM 0 HA SER A 47 4.620 5.330 8.533 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.621 4.897 10.303 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.213 3.253 10.180 1.00 0.00 H new ATOM 0 HG SER A 47 4.303 4.457 11.836 1.00 0.00 H new ATOM 761 N GLU A 48 5.769 3.098 8.147 1.00 0.00 N ATOM 762 CA GLU A 48 6.458 1.927 7.618 1.00 0.00 C ATOM 763 C GLU A 48 5.759 0.642 8.054 1.00 0.00 C ATOM 764 O GLU A 48 5.684 -0.324 7.294 1.00 0.00 O ATOM 765 CB GLU A 48 7.915 1.911 8.084 1.00 0.00 C ATOM 766 CG GLU A 48 8.670 3.190 7.762 1.00 0.00 C ATOM 767 CD GLU A 48 10.123 3.133 8.192 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.586 2.039 8.577 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.797 4.184 8.144 1.00 0.00 O ATOM 0 H GLU A 48 6.371 3.752 8.646 1.00 0.00 H new ATOM 0 HA GLU A 48 6.433 1.983 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.942 1.744 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.428 1.069 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.619 3.377 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.181 4.030 8.256 1.00 0.00 H new ATOM 776 N ARG A 49 5.251 0.639 9.281 1.00 0.00 N ATOM 777 CA ARG A 49 4.561 -0.527 9.820 1.00 0.00 C ATOM 778 C ARG A 49 3.187 -0.691 9.176 1.00 0.00 C ATOM 779 O ARG A 49 2.814 -1.786 8.757 1.00 0.00 O ATOM 780 CB ARG A 49 4.413 -0.404 11.337 1.00 0.00 C ATOM 781 CG ARG A 49 3.857 -1.654 11.999 1.00 0.00 C ATOM 782 CD ARG A 49 4.873 -2.785 11.995 1.00 0.00 C ATOM 783 NE ARG A 49 6.097 -2.425 12.706 1.00 0.00 N ATOM 784 CZ ARG A 49 7.214 -3.142 12.657 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.262 -4.251 11.933 1.00 0.00 N ATOM 786 NH2 ARG A 49 8.287 -2.748 13.332 1.00 0.00 N ATOM 0 H ARG A 49 5.304 1.431 9.921 1.00 0.00 H new ATOM 0 HA ARG A 49 5.159 -1.409 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.387 -0.176 11.771 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.758 0.438 11.562 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.569 -1.426 13.025 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.954 -1.972 11.478 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.433 -3.669 12.456 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.116 -3.050 10.966 1.00 0.00 H new ATOM 0 HE ARG A 49 6.094 -1.576 13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.440 -4.556 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.121 -4.800 11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.254 -1.894 13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.144 -3.299 13.294 1.00 0.00 H new ATOM 800 N GLN A 50 2.439 0.406 9.103 1.00 0.00 N ATOM 801 CA GLN A 50 1.107 0.383 8.512 1.00 0.00 C ATOM 802 C GLN A 50 1.143 -0.218 7.110 1.00 0.00 C ATOM 803 O GLN A 50 0.395 -1.146 6.803 1.00 0.00 O ATOM 804 CB GLN A 50 0.525 1.797 8.459 1.00 0.00 C ATOM 805 CG GLN A 50 0.141 2.348 9.822 1.00 0.00 C ATOM 806 CD GLN A 50 -1.022 3.317 9.753 1.00 0.00 C ATOM 807 OE1 GLN A 50 -2.048 3.121 10.405 1.00 0.00 O ATOM 808 NE2 GLN A 50 -0.869 4.371 8.960 1.00 0.00 N ATOM 0 H GLN A 50 2.733 1.321 9.446 1.00 0.00 H new ATOM 0 HA GLN A 50 0.470 -0.241 9.139 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.254 2.464 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.355 1.795 7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.118 1.522 10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.002 2.851 10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.002 4.495 8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.619 5.057 8.873 1.00 0.00 H new ATOM 817 N ILE A 51 2.017 0.318 6.265 1.00 0.00 N ATOM 818 CA ILE A 51 2.150 -0.166 4.896 1.00 0.00 C ATOM 819 C ILE A 51 2.411 -1.668 4.868 1.00 0.00 C ATOM 820 O ILE A 51 1.937 -2.376 3.978 1.00 0.00 O ATOM 821 CB ILE A 51 3.290 0.556 4.153 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.038 2.065 4.130 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.424 0.014 2.737 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.265 2.877 3.781 1.00 0.00 C ATOM 0 H ILE A 51 2.643 1.087 6.504 1.00 0.00 H new ATOM 0 HA ILE A 51 1.207 0.046 4.392 1.00 0.00 H new ATOM 0 HB ILE A 51 4.225 0.371 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.251 2.283 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.670 2.379 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.233 0.533 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.644 -1.053 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.491 0.173 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.012 3.937 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.047 2.689 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.621 2.591 2.791 1.00 0.00 H new ATOM 836 N THR A 52 3.167 -2.151 5.849 1.00 0.00 N ATOM 837 CA THR A 52 3.491 -3.569 5.937 1.00 0.00 C ATOM 838 C THR A 52 2.257 -4.394 6.283 1.00 0.00 C ATOM 839 O THR A 52 1.993 -5.425 5.663 1.00 0.00 O ATOM 840 CB THR A 52 4.582 -3.832 6.991 1.00 0.00 C ATOM 841 OG1 THR A 52 5.758 -3.077 6.678 1.00 0.00 O ATOM 842 CG2 THR A 52 4.927 -5.312 7.057 1.00 0.00 C ATOM 0 H THR A 52 3.566 -1.580 6.594 1.00 0.00 H new ATOM 0 HA THR A 52 3.863 -3.869 4.957 1.00 0.00 H new ATOM 0 HB THR A 52 4.198 -3.521 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.646 -2.154 6.988 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.700 -5.472 7.809 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.037 -5.881 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.292 -5.644 6.085 1.00 0.00 H new ATOM 850 N ILE A 53 1.503 -3.935 7.277 1.00 0.00 N ATOM 851 CA ILE A 53 0.296 -4.630 7.704 1.00 0.00 C ATOM 852 C ILE A 53 -0.616 -4.927 6.519 1.00 0.00 C ATOM 853 O ILE A 53 -1.091 -6.050 6.353 1.00 0.00 O ATOM 854 CB ILE A 53 -0.487 -3.811 8.747 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.380 -3.555 9.982 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.769 -4.533 9.134 1.00 0.00 C ATOM 857 CD1 ILE A 53 -0.083 -2.379 10.812 1.00 0.00 C ATOM 0 H ILE A 53 1.708 -3.084 7.801 1.00 0.00 H new ATOM 0 HA ILE A 53 0.616 -5.568 8.157 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.753 -2.850 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.384 -4.450 10.605 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.408 -3.383 9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.311 -3.942 9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.391 -4.669 8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.524 -5.507 9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.578 -2.257 11.670 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.060 -1.474 10.205 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.101 -2.557 11.160 1.00 0.00 H new ATOM 869 N TRP A 54 -0.856 -3.912 5.696 1.00 0.00 N ATOM 870 CA TRP A 54 -1.710 -4.064 4.523 1.00 0.00 C ATOM 871 C TRP A 54 -1.151 -5.120 3.576 1.00 0.00 C ATOM 872 O TRP A 54 -1.855 -6.052 3.185 1.00 0.00 O ATOM 873 CB TRP A 54 -1.850 -2.728 3.792 1.00 0.00 C ATOM 874 CG TRP A 54 -2.884 -2.750 2.707 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.213 -2.464 2.835 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.673 -3.078 1.329 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.841 -2.594 1.620 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.918 -2.969 0.680 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.553 -3.450 0.580 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.073 -3.220 -0.681 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.708 -3.699 -0.770 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.960 -3.583 -1.390 1.00 0.00 C ATOM 0 H TRP A 54 -0.471 -2.975 5.819 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.694 -4.390 4.860 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.107 -1.952 4.513 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.887 -2.455 3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.699 -2.178 3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.834 -2.437 1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.584 -3.541 1.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.037 -3.131 -1.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.850 -3.988 -1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.048 -3.784 -2.447 1.00 0.00 H new ATOM 893 N PHE A 55 0.117 -4.969 3.210 1.00 0.00 N ATOM 894 CA PHE A 55 0.770 -5.911 2.308 1.00 0.00 C ATOM 895 C PHE A 55 0.640 -7.340 2.826 1.00 0.00 C ATOM 896 O PHE A 55 0.523 -8.285 2.046 1.00 0.00 O ATOM 897 CB PHE A 55 2.247 -5.549 2.140 1.00 0.00 C ATOM 898 CG PHE A 55 2.513 -4.634 0.979 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.014 -3.341 0.971 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.261 -5.067 -0.104 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.257 -2.498 -0.097 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.507 -4.228 -1.174 1.00 0.00 C ATOM 903 CZ PHE A 55 3.005 -2.941 -1.170 1.00 0.00 C ATOM 0 H PHE A 55 0.713 -4.203 3.524 1.00 0.00 H new ATOM 0 HA PHE A 55 0.276 -5.849 1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.603 -5.075 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.824 -6.464 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.429 -2.989 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.656 -6.072 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.862 -1.493 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.091 -4.578 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.197 -2.283 -2.004 1.00 0.00 H new ATOM 913 N GLN A 56 0.663 -7.489 4.146 1.00 0.00 N ATOM 914 CA GLN A 56 0.549 -8.802 4.769 1.00 0.00 C ATOM 915 C GLN A 56 -0.891 -9.303 4.724 1.00 0.00 C ATOM 916 O GLN A 56 -1.145 -10.460 4.392 1.00 0.00 O ATOM 917 CB GLN A 56 1.037 -8.748 6.217 1.00 0.00 C ATOM 918 CG GLN A 56 2.545 -8.885 6.356 1.00 0.00 C ATOM 919 CD GLN A 56 3.032 -10.293 6.076 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.234 -11.216 5.908 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.347 -10.465 6.023 1.00 0.00 N ATOM 0 H GLN A 56 0.760 -6.716 4.805 1.00 0.00 H new ATOM 0 HA GLN A 56 1.174 -9.497 4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.724 -7.804 6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.554 -9.544 6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.033 -8.193 5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.841 -8.596 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.971 -9.672 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.733 -11.391 5.837 1.00 0.00 H new ATOM 930 N ASN A 57 -1.829 -8.424 5.059 1.00 0.00 N ATOM 931 CA ASN A 57 -3.244 -8.777 5.058 1.00 0.00 C ATOM 932 C ASN A 57 -3.706 -9.166 3.657 1.00 0.00 C ATOM 933 O ASN A 57 -4.657 -9.931 3.496 1.00 0.00 O ATOM 934 CB ASN A 57 -4.083 -7.609 5.578 1.00 0.00 C ATOM 935 CG ASN A 57 -4.286 -7.666 7.080 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.413 -7.589 7.569 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.192 -7.802 7.820 1.00 0.00 N ATOM 0 H ASN A 57 -1.635 -7.461 5.335 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.380 -9.634 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.596 -6.670 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.054 -7.614 5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.266 -7.847 8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.278 -7.862 7.372 1.00 0.00 H new ATOM 944 N ARG A 58 -3.026 -8.635 2.647 1.00 0.00 N ATOM 945 CA ARG A 58 -3.367 -8.925 1.259 1.00 0.00 C ATOM 946 C ARG A 58 -2.872 -10.312 0.857 1.00 0.00 C ATOM 947 O ARG A 58 -3.566 -11.050 0.158 1.00 0.00 O ATOM 948 CB ARG A 58 -2.764 -7.868 0.332 1.00 0.00 C ATOM 949 CG ARG A 58 -3.803 -6.991 -0.347 1.00 0.00 C ATOM 950 CD ARG A 58 -4.716 -7.805 -1.250 1.00 0.00 C ATOM 951 NE ARG A 58 -4.376 -7.644 -2.661 1.00 0.00 N ATOM 952 CZ ARG A 58 -4.546 -6.510 -3.333 1.00 0.00 C ATOM 953 NH1 ARG A 58 -5.048 -5.444 -2.726 1.00 0.00 N ATOM 954 NH2 ARG A 58 -4.212 -6.442 -4.616 1.00 0.00 N ATOM 0 H ARG A 58 -2.235 -8.001 2.763 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.453 -8.904 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.087 -7.236 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.165 -8.365 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.399 -6.480 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.303 -6.220 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.648 -8.859 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.750 -7.500 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.987 -8.445 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.305 -5.492 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.177 -4.575 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.825 -7.260 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.343 -5.572 -5.132 1.00 0.00 H new ATOM 968 N ARG A 59 -1.669 -10.658 1.302 1.00 0.00 N ATOM 969 CA ARG A 59 -1.081 -11.954 0.987 1.00 0.00 C ATOM 970 C ARG A 59 -1.725 -13.059 1.820 1.00 0.00 C ATOM 971 O ARG A 59 -2.168 -14.075 1.285 1.00 0.00 O ATOM 972 CB ARG A 59 0.428 -11.927 1.235 1.00 0.00 C ATOM 973 CG ARG A 59 1.249 -11.712 -0.026 1.00 0.00 C ATOM 974 CD ARG A 59 2.700 -11.397 0.301 1.00 0.00 C ATOM 975 NE ARG A 59 3.595 -12.489 -0.074 1.00 0.00 N ATOM 976 CZ ARG A 59 3.820 -13.551 0.692 1.00 0.00 C ATOM 977 NH1 ARG A 59 3.219 -13.663 1.869 1.00 0.00 N ATOM 978 NH2 ARG A 59 4.648 -14.503 0.281 1.00 0.00 N ATOM 0 H ARG A 59 -1.082 -10.059 1.882 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.265 -12.163 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.656 -11.134 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.728 -12.867 1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.201 -12.605 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.820 -10.895 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.000 -10.488 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.796 -11.200 1.369 1.00 0.00 H new ATOM 0 HE ARG A 59 4.073 -12.433 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.582 -12.933 2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.393 -14.479 2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.112 -14.420 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.820 -15.318 0.870 1.00 0.00 H new ATOM 992 N VAL A 60 -1.771 -12.854 3.132 1.00 0.00 N ATOM 993 CA VAL A 60 -2.361 -13.832 4.039 1.00 0.00 C ATOM 994 C VAL A 60 -3.761 -14.229 3.584 1.00 0.00 C ATOM 995 O VAL A 60 -4.207 -15.352 3.820 1.00 0.00 O ATOM 996 CB VAL A 60 -2.435 -13.289 5.478 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.063 -14.319 6.405 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.051 -12.891 5.969 1.00 0.00 C ATOM 0 H VAL A 60 -1.407 -12.019 3.591 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.715 -14.710 4.023 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.066 -12.400 5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.107 -13.918 7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.071 -14.550 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.461 -15.228 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.122 -12.509 6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.395 -13.761 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.643 -12.117 5.319 1.00 0.00 H new ATOM 1008 N LYS A 61 -4.450 -13.300 2.929 1.00 0.00 N ATOM 1009 CA LYS A 61 -5.799 -13.552 2.439 1.00 0.00 C ATOM 1010 C LYS A 61 -5.828 -14.777 1.530 1.00 0.00 C ATOM 1011 O LYS A 61 -6.551 -15.738 1.791 1.00 0.00 O ATOM 1012 CB LYS A 61 -6.326 -12.330 1.682 1.00 0.00 C ATOM 1013 CG LYS A 61 -7.841 -12.283 1.582 1.00 0.00 C ATOM 1014 CD LYS A 61 -8.333 -10.888 1.236 1.00 0.00 C ATOM 1015 CE LYS A 61 -9.798 -10.900 0.825 1.00 0.00 C ATOM 1016 NZ LYS A 61 -10.698 -11.122 1.990 1.00 0.00 N ATOM 0 H LYS A 61 -4.095 -12.366 2.726 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.441 -13.744 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.975 -11.426 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.904 -12.326 0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.179 -12.988 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.279 -12.600 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.200 -10.231 2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.730 -10.479 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.049 -9.953 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.961 -11.684 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.687 -11.124 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.476 -12.037 2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.561 -10.360 2.685 1.00 0.00 H new ATOM 1030 N GLU A 62 -5.036 -14.735 0.463 1.00 0.00 N ATOM 1031 CA GLU A 62 -4.971 -15.843 -0.483 1.00 0.00 C ATOM 1032 C GLU A 62 -4.334 -17.071 0.160 1.00 0.00 C ATOM 1033 O GLU A 62 -4.645 -18.207 -0.201 1.00 0.00 O ATOM 1034 CB GLU A 62 -4.178 -15.435 -1.726 1.00 0.00 C ATOM 1035 CG GLU A 62 -2.771 -14.952 -1.419 1.00 0.00 C ATOM 1036 CD GLU A 62 -1.921 -14.798 -2.666 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -2.394 -14.159 -3.630 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -0.786 -15.317 -2.679 1.00 0.00 O ATOM 0 H GLU A 62 -4.431 -13.947 0.232 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.990 -16.096 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.121 -16.285 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.718 -14.645 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.825 -13.995 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.289 -15.656 -0.740 1.00 0.00 H new ATOM 1045 N LYS A 63 -3.440 -16.836 1.114 1.00 0.00 N ATOM 1046 CA LYS A 63 -2.758 -17.921 1.809 1.00 0.00 C ATOM 1047 C LYS A 63 -3.747 -18.761 2.609 1.00 0.00 C ATOM 1048 O LYS A 63 -3.628 -19.985 2.675 1.00 0.00 O ATOM 1049 CB LYS A 63 -1.679 -17.360 2.739 1.00 0.00 C ATOM 1050 CG LYS A 63 -0.440 -16.873 2.009 1.00 0.00 C ATOM 1051 CD LYS A 63 0.364 -18.031 1.441 1.00 0.00 C ATOM 1052 CE LYS A 63 1.374 -18.557 2.449 1.00 0.00 C ATOM 1053 NZ LYS A 63 2.093 -19.757 1.939 1.00 0.00 N ATOM 0 H LYS A 63 -3.171 -15.902 1.424 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.288 -18.560 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.100 -16.535 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.390 -18.131 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.733 -16.202 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.183 -16.297 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.311 -18.835 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.884 -17.707 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.095 -17.774 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.863 -18.808 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.772 -20.085 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.408 -20.513 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.602 -19.512 1.066 1.00 0.00 H new ATOM 1067 N LYS A 64 -4.726 -18.098 3.215 1.00 0.00 N ATOM 1068 CA LYS A 64 -5.739 -18.783 4.008 1.00 0.00 C ATOM 1069 C LYS A 64 -6.932 -19.178 3.144 1.00 0.00 C ATOM 1070 O LYS A 64 -7.069 -18.718 2.011 1.00 0.00 O ATOM 1071 CB LYS A 64 -6.204 -17.890 5.161 1.00 0.00 C ATOM 1072 CG LYS A 64 -6.717 -18.665 6.362 1.00 0.00 C ATOM 1073 CD LYS A 64 -6.675 -17.824 7.627 1.00 0.00 C ATOM 1074 CE LYS A 64 -6.566 -18.692 8.871 1.00 0.00 C ATOM 1075 NZ LYS A 64 -7.903 -19.112 9.374 1.00 0.00 N ATOM 0 H LYS A 64 -4.839 -17.085 3.172 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.293 -19.690 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.375 -17.256 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.993 -17.229 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.740 -18.992 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.115 -19.563 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.826 -17.141 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.574 -17.211 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.969 -19.576 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.040 -18.143 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.785 -19.702 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.464 -18.270 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.395 -19.658 8.638 1.00 0.00 H new ATOM 1089 N SER A 65 -7.794 -20.033 3.687 1.00 0.00 N ATOM 1090 CA SER A 65 -8.974 -20.491 2.964 1.00 0.00 C ATOM 1091 C SER A 65 -10.250 -19.982 3.628 1.00 0.00 C ATOM 1092 O SER A 65 -11.278 -19.814 2.974 1.00 0.00 O ATOM 1093 CB SER A 65 -8.996 -22.020 2.898 1.00 0.00 C ATOM 1094 OG SER A 65 -8.699 -22.589 4.161 1.00 0.00 O ATOM 0 H SER A 65 -7.697 -20.422 4.625 1.00 0.00 H new ATOM 0 HA SER A 65 -8.927 -20.091 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.977 -22.359 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.272 -22.366 2.160 1.00 0.00 H new ATOM 0 HG SER A 65 -8.721 -23.566 4.093 1.00 0.00 H new ATOM 1100 N GLY A 66 -10.173 -19.737 4.933 1.00 0.00 N ATOM 1101 CA GLY A 66 -11.328 -19.249 5.664 1.00 0.00 C ATOM 1102 C GLY A 66 -11.013 -18.017 6.490 1.00 0.00 C ATOM 1103 O GLY A 66 -10.881 -18.080 7.712 1.00 0.00 O ATOM 0 H GLY A 66 -9.333 -19.868 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.128 -19.016 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.699 -20.037 6.319 1.00 0.00 H new ATOM 1107 N PRO A 67 -10.885 -16.865 5.815 1.00 0.00 N ATOM 1108 CA PRO A 67 -10.581 -15.591 6.474 1.00 0.00 C ATOM 1109 C PRO A 67 -11.745 -15.082 7.318 1.00 0.00 C ATOM 1110 O PRO A 67 -12.812 -14.766 6.794 1.00 0.00 O ATOM 1111 CB PRO A 67 -10.314 -14.641 5.304 1.00 0.00 C ATOM 1112 CG PRO A 67 -11.069 -15.226 4.161 1.00 0.00 C ATOM 1113 CD PRO A 67 -11.030 -16.716 4.357 1.00 0.00 C ATOM 0 HA PRO A 67 -9.745 -15.681 7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.656 -13.631 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.249 -14.575 5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.096 -14.862 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.616 -14.946 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.940 -17.193 3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.196 -17.170 3.822 1.00 0.00 H new ATOM 1121 N SER A 68 -11.531 -15.006 8.628 1.00 0.00 N ATOM 1122 CA SER A 68 -12.564 -14.538 9.545 1.00 0.00 C ATOM 1123 C SER A 68 -12.345 -13.073 9.908 1.00 0.00 C ATOM 1124 O SER A 68 -13.242 -12.244 9.755 1.00 0.00 O ATOM 1125 CB SER A 68 -12.574 -15.393 10.814 1.00 0.00 C ATOM 1126 OG SER A 68 -11.267 -15.537 11.342 1.00 0.00 O ATOM 0 H SER A 68 -10.652 -15.262 9.078 1.00 0.00 H new ATOM 0 HA SER A 68 -13.528 -14.630 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.223 -14.934 11.560 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.990 -16.376 10.591 1.00 0.00 H new ATOM 0 HG SER A 68 -11.301 -16.086 12.153 1.00 0.00 H new ATOM 1132 N SER A 69 -11.146 -12.761 10.389 1.00 0.00 N ATOM 1133 CA SER A 69 -10.810 -11.397 10.778 1.00 0.00 C ATOM 1134 C SER A 69 -11.771 -10.883 11.846 1.00 0.00 C ATOM 1135 O SER A 69 -12.343 -9.802 11.714 1.00 0.00 O ATOM 1136 CB SER A 69 -10.844 -10.473 9.558 1.00 0.00 C ATOM 1137 OG SER A 69 -10.437 -11.160 8.387 1.00 0.00 O ATOM 0 H SER A 69 -10.391 -13.435 10.519 1.00 0.00 H new ATOM 0 HA SER A 69 -9.802 -11.402 11.194 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.852 -10.082 9.422 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.190 -9.617 9.727 1.00 0.00 H new ATOM 0 HG SER A 69 -10.469 -10.549 7.621 1.00 0.00 H new ATOM 1143 N GLY A 70 -11.943 -11.668 12.905 1.00 0.00 N ATOM 1144 CA GLY A 70 -12.835 -11.277 13.981 1.00 0.00 C ATOM 1145 C GLY A 70 -12.645 -12.120 15.226 1.00 0.00 C ATOM 1146 O GLY A 70 -12.838 -11.640 16.343 1.00 0.00 O ATOM 0 H GLY A 70 -11.481 -12.568 13.037 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.666 -10.229 14.226 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.867 -11.362 13.642 1.00 0.00 H new TER 1150 GLY A 70