USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 946 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 MET CE :methyl 131:sc= -0.272 (180deg=-0.933) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.12 (180deg=-0.0433) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 77:sc= 2.13 USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00578) USER MOD Single : A 18 MET CE :methyl -162:sc= -3.14! (180deg=-3.97!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -20:sc= 0.549 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 0.118 (180deg=-0.262) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.32 (180deg=1.25) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 2.06 (180deg=1.64) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= -0.0233 (180deg=-0.164) USER MOD Single : A 51 HIS : no HD1:sc= -0.928 K(o=-0.93,f=0) USER MOD Single : A 54 CYS SG : rot -85:sc= 1.19 USER MOD Single : B 1 MET CE :methyl 143:sc= -0.22 (180deg=-0.955) USER MOD Single : B 1 MET N :NH3+ 178:sc= 0.321 (180deg=0.32) USER MOD Single : B 2 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.1) USER MOD Single : B 3 SER OG : rot 68:sc= 1.52 USER MOD Single : B 9 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.197) USER MOD Single : B 18 MET CE :methyl -160:sc= -2.97! (180deg=-4.03!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= -0.431 USER MOD Single : B 42 LYS NZ :NH3+ 158:sc= -0.191 (180deg=-0.377) USER MOD Single : B 46 LYS NZ :NH3+ 152:sc= 1.02 (180deg=0.759) USER MOD Single : B 47 LYS NZ :NH3+ 178:sc= 2.62 (180deg=2.57) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 168:sc= -0.0485 (180deg=-0.362) USER MOD Single : B 51 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : B 54 CYS SG : rot -114:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.233 8.076 -15.339 1.00 2.39 N ATOM 2 CA MET A 1 -7.192 7.123 -14.204 1.00 1.49 C ATOM 3 C MET A 1 -6.027 7.438 -13.282 1.00 1.24 C ATOM 4 O MET A 1 -5.296 8.404 -13.501 1.00 1.91 O ATOM 5 CB MET A 1 -7.082 5.680 -14.707 1.00 2.01 C ATOM 6 CG MET A 1 -8.339 5.173 -15.395 1.00 2.70 C ATOM 7 SD MET A 1 -8.165 3.489 -16.016 1.00 3.90 S ATOM 8 CE MET A 1 -7.891 2.588 -14.492 1.00 4.80 C ATOM 0 H1 MET A 1 -8.163 8.540 -15.369 1.00 2.39 H new ATOM 0 H2 MET A 1 -6.491 8.794 -15.216 1.00 2.39 H new ATOM 0 H3 MET A 1 -7.074 7.563 -16.229 1.00 2.39 H new ATOM 0 HA MET A 1 -8.122 7.228 -13.646 1.00 1.49 H new ATOM 0 HB2 MET A 1 -6.245 5.610 -15.402 1.00 2.01 H new ATOM 0 HB3 MET A 1 -6.852 5.028 -13.864 1.00 2.01 H new ATOM 0 HG2 MET A 1 -9.173 5.212 -14.694 1.00 2.70 H new ATOM 0 HG3 MET A 1 -8.587 5.837 -16.223 1.00 2.70 H new ATOM 0 HE1 MET A 1 -8.554 1.723 -14.456 1.00 4.80 H new ATOM 0 HE2 MET A 1 -6.855 2.253 -14.449 1.00 4.80 H new ATOM 0 HE3 MET A 1 -8.098 3.239 -13.642 1.00 4.80 H new ATOM 20 N LYS A 2 -5.858 6.619 -12.246 1.00 0.91 N ATOM 21 CA LYS A 2 -4.750 6.783 -11.315 1.00 0.58 C ATOM 22 C LYS A 2 -3.435 6.536 -12.031 1.00 0.56 C ATOM 23 O LYS A 2 -3.421 6.086 -13.178 1.00 0.81 O ATOM 24 CB LYS A 2 -4.871 5.804 -10.141 1.00 0.74 C ATOM 25 CG LYS A 2 -6.172 5.919 -9.358 1.00 0.82 C ATOM 26 CD LYS A 2 -6.067 6.856 -8.159 1.00 0.85 C ATOM 27 CE LYS A 2 -5.613 8.251 -8.551 1.00 1.75 C ATOM 28 NZ LYS A 2 -5.800 9.230 -7.449 1.00 2.48 N ATOM 0 H LYS A 2 -6.476 5.836 -12.032 1.00 0.91 H new ATOM 0 HA LYS A 2 -4.780 7.802 -10.930 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -4.779 4.787 -10.521 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.036 5.967 -9.460 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -6.959 6.276 -10.023 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -6.470 4.929 -9.013 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -7.036 6.918 -7.664 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -5.366 6.439 -7.436 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -4.561 8.223 -8.836 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -6.172 8.581 -9.427 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -5.477 10.168 -7.760 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -6.807 9.277 -7.194 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -5.247 8.930 -6.621 1.00 2.48 H new ATOM 42 N SER A 3 -2.337 6.809 -11.351 1.00 0.41 N ATOM 43 CA SER A 3 -1.022 6.583 -11.922 1.00 0.39 C ATOM 44 C SER A 3 -0.852 5.120 -12.309 1.00 0.37 C ATOM 45 O SER A 3 -0.293 4.797 -13.357 1.00 0.48 O ATOM 46 CB SER A 3 0.057 6.981 -10.924 1.00 0.37 C ATOM 47 OG SER A 3 0.040 8.373 -10.671 1.00 1.00 O ATOM 0 H SER A 3 -2.329 7.187 -10.404 1.00 0.41 H new ATOM 0 HA SER A 3 -0.925 7.196 -12.818 1.00 0.39 H new ATOM 0 HB2 SER A 3 -0.091 6.438 -9.990 1.00 0.37 H new ATOM 0 HB3 SER A 3 1.035 6.692 -11.309 1.00 0.37 H new ATOM 0 HG SER A 3 -0.701 8.587 -10.067 1.00 1.00 H new ATOM 53 N ILE A 4 -1.344 4.243 -11.449 1.00 0.29 N ATOM 54 CA ILE A 4 -1.290 2.820 -11.704 1.00 0.27 C ATOM 55 C ILE A 4 -2.642 2.350 -12.223 1.00 0.29 C ATOM 56 O ILE A 4 -2.729 1.606 -13.199 1.00 0.34 O ATOM 57 CB ILE A 4 -0.915 2.041 -10.429 1.00 0.25 C ATOM 58 CG1 ILE A 4 0.057 2.868 -9.575 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.289 0.704 -10.803 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.469 2.194 -8.283 1.00 0.26 C ATOM 0 H ILE A 4 -1.786 4.497 -10.566 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.521 2.629 -12.452 1.00 0.27 H new ATOM 0 HB ILE A 4 -1.817 1.854 -9.846 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.950 3.081 -10.163 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.406 3.826 -9.341 1.00 0.31 H new ATOM 0 HG21 ILE A 4 -0.026 0.159 -9.896 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -1.001 0.119 -11.385 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.609 0.876 -11.396 1.00 0.26 H new ATOM 0 HD11 ILE A 4 1.155 2.842 -7.738 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.414 2.006 -7.673 1.00 0.26 H new ATOM 0 HD13 ILE A 4 0.963 1.249 -8.507 1.00 0.26 H new ATOM 72 N GLY A 5 -3.700 2.811 -11.563 1.00 0.31 N ATOM 73 CA GLY A 5 -5.047 2.515 -12.013 1.00 0.35 C ATOM 74 C GLY A 5 -5.498 1.137 -11.596 1.00 0.33 C ATOM 75 O GLY A 5 -6.376 0.546 -12.220 1.00 0.51 O ATOM 0 H GLY A 5 -3.647 3.386 -10.722 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -5.735 3.258 -11.609 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.091 2.597 -13.099 1.00 0.35 H new ATOM 79 N VAL A 6 -4.895 0.622 -10.539 1.00 0.18 N ATOM 80 CA VAL A 6 -5.226 -0.704 -10.059 1.00 0.15 C ATOM 81 C VAL A 6 -5.713 -0.663 -8.619 1.00 0.14 C ATOM 82 O VAL A 6 -5.124 -0.002 -7.752 1.00 0.17 O ATOM 83 CB VAL A 6 -4.032 -1.681 -10.174 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.649 -1.899 -11.628 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.837 -1.176 -9.384 1.00 0.17 C ATOM 0 H VAL A 6 -4.175 1.102 -9.999 1.00 0.18 H new ATOM 0 HA VAL A 6 -6.029 -1.071 -10.698 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.343 -2.637 -9.752 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.807 -2.589 -11.683 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.498 -2.318 -12.169 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.367 -0.947 -12.077 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -2.012 -1.881 -9.482 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.531 -0.203 -9.769 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.110 -1.080 -8.333 1.00 0.17 H new ATOM 95 N VAL A 7 -6.809 -1.366 -8.394 1.00 0.14 N ATOM 96 CA VAL A 7 -7.364 -1.543 -7.072 1.00 0.13 C ATOM 97 C VAL A 7 -7.143 -2.984 -6.628 1.00 0.14 C ATOM 98 O VAL A 7 -7.239 -3.916 -7.429 1.00 0.17 O ATOM 99 CB VAL A 7 -8.870 -1.183 -7.031 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.666 -2.025 -8.018 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.425 -1.336 -5.622 1.00 0.13 C ATOM 0 H VAL A 7 -7.339 -1.831 -9.131 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.855 -0.865 -6.386 1.00 0.13 H new ATOM 0 HB VAL A 7 -8.970 -0.139 -7.327 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.719 -1.749 -7.965 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.295 -1.850 -9.028 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.555 -3.080 -7.769 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.484 -1.078 -5.618 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.302 -2.368 -5.292 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.887 -0.672 -4.945 1.00 0.13 H new ATOM 111 N ARG A 8 -6.815 -3.159 -5.364 1.00 0.14 N ATOM 112 CA ARG A 8 -6.476 -4.468 -4.835 1.00 0.15 C ATOM 113 C ARG A 8 -7.510 -4.928 -3.844 1.00 0.14 C ATOM 114 O ARG A 8 -8.239 -4.121 -3.270 1.00 0.17 O ATOM 115 CB ARG A 8 -5.099 -4.452 -4.171 1.00 0.18 C ATOM 116 CG ARG A 8 -4.018 -5.096 -5.017 1.00 0.28 C ATOM 117 CD ARG A 8 -4.105 -4.615 -6.459 1.00 0.34 C ATOM 118 NE ARG A 8 -3.018 -5.105 -7.296 1.00 0.67 N ATOM 119 CZ ARG A 8 -3.151 -5.369 -8.594 1.00 0.56 C ATOM 120 NH1 ARG A 8 -4.335 -5.230 -9.185 1.00 0.87 N ATOM 121 NH2 ARG A 8 -2.107 -5.780 -9.299 1.00 1.21 N ATOM 0 H ARG A 8 -6.775 -2.405 -4.678 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.453 -5.165 -5.673 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -4.818 -3.421 -3.958 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.159 -4.970 -3.214 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.037 -4.856 -4.607 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.121 -6.181 -4.983 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -5.056 -4.936 -6.885 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.102 -3.525 -6.472 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.106 -5.254 -6.864 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -5.142 -4.921 -8.643 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -4.435 -5.433 -10.180 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -1.200 -5.895 -8.847 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -2.211 -5.982 -10.293 1.00 1.21 H new ATOM 135 N LYS A 9 -7.577 -6.226 -3.660 1.00 0.14 N ATOM 136 CA LYS A 9 -8.506 -6.812 -2.725 1.00 0.15 C ATOM 137 C LYS A 9 -7.728 -7.610 -1.689 1.00 0.17 C ATOM 138 O LYS A 9 -6.979 -8.525 -2.036 1.00 0.22 O ATOM 139 CB LYS A 9 -9.506 -7.699 -3.477 1.00 0.22 C ATOM 140 CG LYS A 9 -9.998 -7.089 -4.791 1.00 0.51 C ATOM 141 CD LYS A 9 -10.760 -5.781 -4.584 1.00 0.36 C ATOM 142 CE LYS A 9 -10.971 -5.025 -5.892 1.00 0.98 C ATOM 143 NZ LYS A 9 -11.765 -5.804 -6.880 1.00 1.13 N ATOM 0 H LYS A 9 -6.992 -6.902 -4.152 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.069 -6.032 -2.213 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.040 -8.662 -3.685 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.363 -7.893 -2.832 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -9.145 -6.908 -5.445 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -10.644 -7.805 -5.300 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.727 -5.994 -4.129 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.211 -5.149 -3.885 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -11.478 -4.083 -5.685 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -10.002 -4.777 -6.325 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -11.923 -5.227 -7.731 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -11.246 -6.667 -7.139 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -12.682 -6.063 -6.462 1.00 1.13 H new ATOM 157 N VAL A 10 -7.890 -7.229 -0.426 1.00 0.16 N ATOM 158 CA VAL A 10 -7.167 -7.843 0.680 1.00 0.18 C ATOM 159 C VAL A 10 -7.391 -9.351 0.710 1.00 0.20 C ATOM 160 O VAL A 10 -8.460 -9.833 0.361 1.00 0.24 O ATOM 161 CB VAL A 10 -7.597 -7.212 2.030 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.104 -8.023 3.218 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.089 -5.785 2.129 1.00 0.18 C ATOM 0 H VAL A 10 -8.527 -6.485 -0.141 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.104 -7.657 0.529 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.687 -7.212 2.058 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.427 -7.546 4.143 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.516 -9.031 3.166 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.015 -8.074 3.197 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.398 -5.354 3.081 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.001 -5.781 2.065 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.503 -5.194 1.312 1.00 0.18 H new ATOM 173 N ASP A 11 -6.366 -10.085 1.102 1.00 0.17 N ATOM 174 CA ASP A 11 -6.455 -11.531 1.189 1.00 0.21 C ATOM 175 C ASP A 11 -7.399 -11.913 2.321 1.00 0.22 C ATOM 176 O ASP A 11 -8.496 -12.414 2.088 1.00 0.24 O ATOM 177 CB ASP A 11 -5.064 -12.125 1.422 1.00 0.24 C ATOM 178 CG ASP A 11 -5.026 -13.627 1.241 1.00 0.58 C ATOM 179 OD1 ASP A 11 -4.808 -14.080 0.094 1.00 1.31 O ATOM 180 OD2 ASP A 11 -5.183 -14.359 2.237 1.00 1.30 O ATOM 0 H ASP A 11 -5.458 -9.702 1.366 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.847 -11.931 0.254 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.357 -11.663 0.732 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.733 -11.877 2.431 1.00 0.24 H new ATOM 185 N GLU A 12 -6.948 -11.653 3.544 1.00 0.23 N ATOM 186 CA GLU A 12 -7.754 -11.824 4.754 1.00 0.25 C ATOM 187 C GLU A 12 -7.202 -10.919 5.839 1.00 0.26 C ATOM 188 O GLU A 12 -7.908 -10.101 6.423 1.00 0.30 O ATOM 189 CB GLU A 12 -7.705 -13.266 5.281 1.00 0.29 C ATOM 190 CG GLU A 12 -8.275 -14.309 4.343 1.00 0.33 C ATOM 191 CD GLU A 12 -8.339 -15.683 4.977 1.00 0.40 C ATOM 192 OE1 GLU A 12 -8.691 -15.778 6.172 1.00 1.10 O ATOM 193 OE2 GLU A 12 -8.045 -16.678 4.280 1.00 1.23 O ATOM 0 H GLU A 12 -6.004 -11.314 3.728 1.00 0.23 H new ATOM 0 HA GLU A 12 -8.785 -11.578 4.501 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -6.668 -13.522 5.499 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.249 -13.311 6.224 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.276 -14.008 4.034 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.664 -14.356 3.442 1.00 0.33 H new ATOM 200 N LEU A 13 -5.911 -11.081 6.079 1.00 0.26 N ATOM 201 CA LEU A 13 -5.217 -10.405 7.164 1.00 0.27 C ATOM 202 C LEU A 13 -4.918 -8.956 6.813 1.00 0.26 C ATOM 203 O LEU A 13 -4.718 -8.118 7.694 1.00 0.41 O ATOM 204 CB LEU A 13 -3.900 -11.128 7.458 1.00 0.30 C ATOM 205 CG LEU A 13 -3.963 -12.658 7.469 1.00 0.31 C ATOM 206 CD1 LEU A 13 -3.738 -13.216 6.067 1.00 0.85 C ATOM 207 CD2 LEU A 13 -2.946 -13.227 8.444 1.00 0.72 C ATOM 0 H LEU A 13 -5.311 -11.690 5.523 1.00 0.26 H new ATOM 0 HA LEU A 13 -5.865 -10.423 8.041 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.165 -10.820 6.714 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.533 -10.792 8.428 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.958 -12.958 7.799 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -3.787 -14.305 6.096 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -4.509 -12.836 5.396 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -2.758 -12.906 5.705 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -3.006 -14.315 8.438 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -1.944 -12.917 8.147 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -3.158 -12.858 9.447 1.00 0.72 H new ATOM 219 N GLY A 14 -4.884 -8.669 5.525 1.00 0.17 N ATOM 220 CA GLY A 14 -4.510 -7.349 5.070 1.00 0.16 C ATOM 221 C GLY A 14 -3.566 -7.406 3.888 1.00 0.12 C ATOM 222 O GLY A 14 -3.310 -6.394 3.245 1.00 0.12 O ATOM 0 H GLY A 14 -5.110 -9.330 4.782 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.406 -6.793 4.793 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.037 -6.804 5.887 1.00 0.16 H new ATOM 226 N ARG A 15 -3.046 -8.596 3.600 1.00 0.12 N ATOM 227 CA ARG A 15 -2.141 -8.778 2.469 1.00 0.11 C ATOM 228 C ARG A 15 -2.827 -8.403 1.164 1.00 0.10 C ATOM 229 O ARG A 15 -3.969 -8.795 0.929 1.00 0.14 O ATOM 230 CB ARG A 15 -1.673 -10.228 2.339 1.00 0.15 C ATOM 231 CG ARG A 15 -1.013 -10.819 3.567 1.00 0.25 C ATOM 232 CD ARG A 15 -0.084 -11.952 3.151 1.00 0.40 C ATOM 233 NE ARG A 15 0.704 -12.492 4.258 1.00 1.45 N ATOM 234 CZ ARG A 15 1.962 -12.933 4.129 1.00 1.87 C ATOM 235 NH1 ARG A 15 2.593 -12.827 2.963 1.00 1.51 N ATOM 236 NH2 ARG A 15 2.594 -13.469 5.170 1.00 3.03 N ATOM 0 H ARG A 15 -3.235 -9.446 4.132 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.284 -8.131 2.657 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.533 -10.846 2.079 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.972 -10.291 1.507 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.451 -10.050 4.096 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -1.771 -11.191 4.256 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -0.676 -12.754 2.711 1.00 0.40 H new ATOM 0 HD3 ARG A 15 0.592 -11.592 2.375 1.00 0.40 H new ATOM 0 HE ARG A 15 0.271 -12.535 5.181 1.00 1.45 H new ATOM 0 HH11 ARG A 15 2.119 -12.409 2.163 1.00 1.51 H new ATOM 0 HH12 ARG A 15 3.551 -13.164 2.869 1.00 1.51 H new ATOM 0 HH21 ARG A 15 2.120 -13.545 6.070 1.00 3.03 H new ATOM 0 HH22 ARG A 15 3.552 -13.804 5.068 1.00 3.03 H new ATOM 250 N ILE A 16 -2.132 -7.649 0.325 1.00 0.09 N ATOM 251 CA ILE A 16 -2.606 -7.364 -1.021 1.00 0.09 C ATOM 252 C ILE A 16 -1.418 -7.432 -1.978 1.00 0.10 C ATOM 253 O ILE A 16 -0.278 -7.617 -1.551 1.00 0.12 O ATOM 254 CB ILE A 16 -3.325 -5.984 -1.141 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.340 -4.872 -1.507 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.066 -5.637 0.145 1.00 0.13 C ATOM 257 CD1 ILE A 16 -2.930 -3.481 -1.409 1.00 0.13 C ATOM 0 H ILE A 16 -1.234 -7.222 0.554 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.354 -8.113 -1.279 1.00 0.09 H new ATOM 0 HB ILE A 16 -4.055 -6.067 -1.946 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.472 -4.936 -0.850 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.983 -5.035 -2.524 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.557 -4.671 0.032 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.814 -6.402 0.352 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.357 -5.590 0.972 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.174 -2.745 -1.683 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.780 -3.398 -2.086 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.261 -3.298 -0.387 1.00 0.13 H new ATOM 269 N VAL A 17 -1.675 -7.280 -3.260 1.00 0.10 N ATOM 270 CA VAL A 17 -0.625 -7.409 -4.252 1.00 0.11 C ATOM 271 C VAL A 17 -0.234 -6.043 -4.809 1.00 0.12 C ATOM 272 O VAL A 17 -0.929 -5.471 -5.647 1.00 0.19 O ATOM 273 CB VAL A 17 -1.030 -8.380 -5.392 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.418 -8.061 -5.932 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.000 -8.364 -6.512 1.00 0.17 C ATOM 0 H VAL A 17 -2.597 -7.068 -3.640 1.00 0.10 H new ATOM 0 HA VAL A 17 0.246 -7.837 -3.755 1.00 0.11 H new ATOM 0 HB VAL A 17 -1.062 -9.384 -4.970 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.668 -8.761 -6.729 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -3.150 -8.149 -5.129 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.431 -7.044 -6.325 1.00 0.19 H new ATOM 0 HG21 VAL A 17 -0.307 -9.053 -7.299 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.077 -7.357 -6.921 1.00 0.17 H new ATOM 0 HG23 VAL A 17 0.969 -8.671 -6.119 1.00 0.17 H new ATOM 285 N MET A 18 0.870 -5.507 -4.314 1.00 0.11 N ATOM 286 CA MET A 18 1.361 -4.231 -4.810 1.00 0.12 C ATOM 287 C MET A 18 1.992 -4.446 -6.177 1.00 0.11 C ATOM 288 O MET A 18 2.537 -5.518 -6.452 1.00 0.13 O ATOM 289 CB MET A 18 2.365 -3.596 -3.838 1.00 0.15 C ATOM 290 CG MET A 18 1.820 -3.394 -2.431 1.00 0.28 C ATOM 291 SD MET A 18 0.184 -2.635 -2.409 1.00 0.84 S ATOM 292 CE MET A 18 0.534 -1.006 -3.052 1.00 0.80 C ATOM 0 H MET A 18 1.437 -5.929 -3.579 1.00 0.11 H new ATOM 0 HA MET A 18 0.524 -3.538 -4.896 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.253 -4.226 -3.786 1.00 0.15 H new ATOM 0 HB3 MET A 18 2.681 -2.632 -4.236 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.774 -4.358 -1.924 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.512 -2.769 -1.866 1.00 0.28 H new ATOM 0 HE1 MET A 18 -0.286 -0.333 -2.803 1.00 0.80 H new ATOM 0 HE2 MET A 18 1.458 -0.631 -2.611 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.645 -1.058 -4.135 1.00 0.80 H new ATOM 302 N PRO A 19 1.927 -3.448 -7.065 1.00 0.12 N ATOM 303 CA PRO A 19 2.349 -3.621 -8.444 1.00 0.13 C ATOM 304 C PRO A 19 3.861 -3.530 -8.627 1.00 0.13 C ATOM 305 O PRO A 19 4.586 -2.945 -7.806 1.00 0.13 O ATOM 306 CB PRO A 19 1.646 -2.474 -9.166 1.00 0.15 C ATOM 307 CG PRO A 19 1.531 -1.393 -8.146 1.00 0.16 C ATOM 308 CD PRO A 19 1.462 -2.072 -6.798 1.00 0.15 C ATOM 0 HA PRO A 19 2.094 -4.610 -8.823 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.219 -2.141 -10.031 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.665 -2.779 -9.531 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.387 -0.720 -8.197 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.641 -0.789 -8.321 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.096 -1.572 -6.066 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.448 -2.064 -6.399 1.00 0.15 H new ATOM 316 N ILE A 20 4.336 -4.117 -9.713 1.00 0.15 N ATOM 317 CA ILE A 20 5.728 -3.984 -10.102 1.00 0.16 C ATOM 318 C ILE A 20 6.077 -2.506 -10.238 1.00 0.16 C ATOM 319 O ILE A 20 7.184 -2.092 -9.939 1.00 0.16 O ATOM 320 CB ILE A 20 6.009 -4.730 -11.427 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.425 -4.446 -11.949 1.00 0.24 C ATOM 322 CG2 ILE A 20 4.969 -4.363 -12.476 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.529 -4.942 -11.040 1.00 0.26 C ATOM 0 H ILE A 20 3.775 -4.692 -10.342 1.00 0.15 H new ATOM 0 HA ILE A 20 6.352 -4.434 -9.330 1.00 0.16 H new ATOM 0 HB ILE A 20 5.942 -5.799 -11.224 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.539 -4.910 -12.929 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.540 -3.371 -12.090 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.182 -4.897 -13.402 1.00 0.22 H new ATOM 0 HG22 ILE A 20 3.977 -4.639 -12.118 1.00 0.22 H new ATOM 0 HG23 ILE A 20 5.002 -3.289 -12.661 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.497 -4.703 -11.480 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.443 -4.459 -10.067 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.443 -6.022 -10.918 1.00 0.26 H new ATOM 335 N GLU A 21 5.089 -1.718 -10.639 1.00 0.16 N ATOM 336 CA GLU A 21 5.238 -0.277 -10.782 1.00 0.17 C ATOM 337 C GLU A 21 5.589 0.374 -9.453 1.00 0.16 C ATOM 338 O GLU A 21 6.264 1.392 -9.415 1.00 0.19 O ATOM 339 CB GLU A 21 3.942 0.304 -11.319 1.00 0.18 C ATOM 340 CG GLU A 21 3.387 -0.497 -12.477 1.00 0.21 C ATOM 341 CD GLU A 21 4.266 -0.421 -13.707 1.00 0.28 C ATOM 342 OE1 GLU A 21 5.184 -1.261 -13.838 1.00 1.08 O ATOM 343 OE2 GLU A 21 4.045 0.470 -14.547 1.00 1.03 O ATOM 0 H GLU A 21 4.158 -2.062 -10.875 1.00 0.16 H new ATOM 0 HA GLU A 21 6.053 -0.076 -11.477 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.203 0.339 -10.518 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.113 1.331 -11.640 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.279 -1.539 -12.175 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.390 -0.131 -12.723 1.00 0.21 H new ATOM 350 N LEU A 22 5.148 -0.236 -8.363 1.00 0.14 N ATOM 351 CA LEU A 22 5.485 0.245 -7.036 1.00 0.15 C ATOM 352 C LEU A 22 6.916 -0.139 -6.736 1.00 0.15 C ATOM 353 O LEU A 22 7.688 0.636 -6.166 1.00 0.17 O ATOM 354 CB LEU A 22 4.522 -0.346 -5.995 1.00 0.18 C ATOM 355 CG LEU A 22 5.144 -0.719 -4.642 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.179 -0.414 -3.509 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.516 -2.196 -4.623 1.00 0.20 C ATOM 0 H LEU A 22 4.555 -1.066 -8.374 1.00 0.14 H new ATOM 0 HA LEU A 22 5.387 1.330 -6.993 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.722 0.373 -5.819 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.061 -1.238 -6.420 1.00 0.18 H new ATOM 0 HG LEU A 22 6.046 -0.123 -4.503 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.637 -0.685 -2.558 1.00 0.19 H new ATOM 0 HD12 LEU A 22 3.944 0.650 -3.508 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.263 -0.988 -3.647 1.00 0.19 H new ATOM 0 HD21 LEU A 22 5.956 -2.448 -3.658 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.622 -2.799 -4.782 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.237 -2.400 -5.415 1.00 0.20 H new ATOM 369 N ARG A 23 7.270 -1.343 -7.161 1.00 0.13 N ATOM 370 CA ARG A 23 8.634 -1.833 -7.005 1.00 0.16 C ATOM 371 C ARG A 23 9.595 -1.006 -7.859 1.00 0.20 C ATOM 372 O ARG A 23 10.769 -0.851 -7.525 1.00 0.25 O ATOM 373 CB ARG A 23 8.722 -3.321 -7.384 1.00 0.18 C ATOM 374 CG ARG A 23 7.786 -4.216 -6.581 1.00 0.17 C ATOM 375 CD ARG A 23 8.133 -5.692 -6.739 1.00 0.24 C ATOM 376 NE ARG A 23 7.647 -6.272 -7.993 1.00 0.69 N ATOM 377 CZ ARG A 23 8.168 -7.371 -8.548 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.242 -7.939 -8.016 1.00 0.46 N ATOM 379 NH2 ARG A 23 7.623 -7.899 -9.642 1.00 1.05 N ATOM 0 H ARG A 23 6.634 -1.998 -7.616 1.00 0.13 H new ATOM 0 HA ARG A 23 8.921 -1.729 -5.958 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.494 -3.431 -8.444 1.00 0.18 H new ATOM 0 HB3 ARG A 23 9.747 -3.663 -7.242 1.00 0.18 H new ATOM 0 HG2 ARG A 23 7.838 -3.942 -5.527 1.00 0.17 H new ATOM 0 HG3 ARG A 23 6.758 -4.048 -6.904 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.215 -5.811 -6.688 1.00 0.24 H new ATOM 0 HD3 ARG A 23 7.711 -6.249 -5.902 1.00 0.24 H new ATOM 0 HE ARG A 23 6.870 -5.813 -8.468 1.00 0.69 H new ATOM 0 HH11 ARG A 23 9.671 -7.537 -7.182 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.639 -8.777 -8.440 1.00 0.46 H new ATOM 0 HH21 ARG A 23 6.802 -7.465 -10.063 1.00 1.05 H new ATOM 0 HH22 ARG A 23 8.027 -8.738 -10.059 1.00 1.05 H new ATOM 393 N ARG A 24 9.069 -0.471 -8.952 1.00 0.18 N ATOM 394 CA ARG A 24 9.843 0.331 -9.890 1.00 0.21 C ATOM 395 C ARG A 24 9.900 1.780 -9.432 1.00 0.23 C ATOM 396 O ARG A 24 10.907 2.469 -9.616 1.00 0.27 O ATOM 397 CB ARG A 24 9.207 0.244 -11.276 1.00 0.22 C ATOM 398 CG ARG A 24 9.207 -1.164 -11.852 1.00 0.23 C ATOM 399 CD ARG A 24 8.350 -1.263 -13.107 1.00 0.25 C ATOM 400 NE ARG A 24 9.026 -0.736 -14.292 1.00 0.35 N ATOM 401 CZ ARG A 24 8.416 -0.505 -15.456 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.101 -0.639 -15.570 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.126 -0.133 -16.514 1.00 0.71 N ATOM 0 H ARG A 24 8.090 -0.581 -9.214 1.00 0.18 H new ATOM 0 HA ARG A 24 10.861 -0.055 -9.932 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.180 0.606 -11.220 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.742 0.907 -11.956 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.229 -1.461 -12.086 1.00 0.23 H new ATOM 0 HG3 ARG A 24 8.836 -1.863 -11.103 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.083 -2.306 -13.279 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.419 -0.717 -12.951 1.00 0.25 H new ATOM 0 HE ARG A 24 10.023 -0.533 -14.225 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.545 -0.921 -14.763 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.646 -0.460 -16.465 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.137 -0.024 -16.437 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.660 0.044 -17.404 1.00 0.71 H new ATOM 417 N ALA A 25 8.807 2.227 -8.833 1.00 0.21 N ATOM 418 CA ALA A 25 8.688 3.596 -8.363 1.00 0.23 C ATOM 419 C ALA A 25 9.624 3.830 -7.201 1.00 0.25 C ATOM 420 O ALA A 25 10.409 4.779 -7.193 1.00 0.26 O ATOM 421 CB ALA A 25 7.258 3.887 -7.945 1.00 0.23 C ATOM 0 H ALA A 25 7.982 1.653 -8.660 1.00 0.21 H new ATOM 0 HA ALA A 25 8.959 4.269 -9.177 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.184 4.917 -7.595 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.594 3.745 -8.797 1.00 0.23 H new ATOM 0 HB3 ALA A 25 6.968 3.209 -7.142 1.00 0.23 H new ATOM 427 N LEU A 26 9.547 2.933 -6.238 1.00 0.30 N ATOM 428 CA LEU A 26 10.350 3.028 -5.039 1.00 0.36 C ATOM 429 C LEU A 26 11.751 2.487 -5.289 1.00 0.39 C ATOM 430 O LEU A 26 12.647 3.220 -5.706 1.00 0.52 O ATOM 431 CB LEU A 26 9.679 2.251 -3.904 1.00 0.33 C ATOM 432 CG LEU A 26 8.344 2.818 -3.417 1.00 0.37 C ATOM 433 CD1 LEU A 26 7.652 1.831 -2.488 1.00 0.37 C ATOM 434 CD2 LEU A 26 8.557 4.146 -2.704 1.00 0.47 C ATOM 0 H LEU A 26 8.929 2.122 -6.266 1.00 0.30 H new ATOM 0 HA LEU A 26 10.433 4.077 -4.755 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.519 1.225 -4.235 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.366 2.210 -3.059 1.00 0.33 H new ATOM 0 HG LEU A 26 7.707 2.986 -4.285 1.00 0.37 H new ATOM 0 HD11 LEU A 26 6.704 2.251 -2.152 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.467 0.898 -3.021 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.289 1.636 -1.625 1.00 0.37 H new ATOM 0 HD21 LEU A 26 7.597 4.535 -2.364 1.00 0.47 H new ATOM 0 HD22 LEU A 26 9.212 3.997 -1.846 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.014 4.858 -3.391 1.00 0.47 H new ATOM 446 N ASP A 27 11.902 1.188 -5.075 1.00 0.32 N ATOM 447 CA ASP A 27 13.173 0.491 -5.207 1.00 0.41 C ATOM 448 C ASP A 27 13.012 -0.879 -4.582 1.00 0.35 C ATOM 449 O ASP A 27 13.616 -1.187 -3.564 1.00 0.57 O ATOM 450 CB ASP A 27 14.322 1.245 -4.521 1.00 0.60 C ATOM 451 CG ASP A 27 15.672 0.593 -4.761 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.154 0.621 -5.909 1.00 1.72 O ATOM 453 OD2 ASP A 27 16.263 0.066 -3.792 1.00 1.36 O ATOM 0 H ASP A 27 11.132 0.579 -4.800 1.00 0.32 H new ATOM 0 HA ASP A 27 13.430 0.419 -6.264 1.00 0.41 H new ATOM 0 HB2 ASP A 27 14.348 2.271 -4.887 1.00 0.60 H new ATOM 0 HB3 ASP A 27 14.131 1.293 -3.449 1.00 0.60 H new ATOM 458 N ILE A 28 12.107 -1.659 -5.141 1.00 0.22 N ATOM 459 CA ILE A 28 11.870 -3.009 -4.658 1.00 0.18 C ATOM 460 C ILE A 28 12.294 -4.021 -5.708 1.00 0.22 C ATOM 461 O ILE A 28 11.943 -3.895 -6.881 1.00 0.28 O ATOM 462 CB ILE A 28 10.386 -3.260 -4.277 1.00 0.15 C ATOM 463 CG1 ILE A 28 9.988 -2.505 -3.002 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.126 -4.746 -4.094 1.00 0.16 C ATOM 465 CD1 ILE A 28 9.788 -1.023 -3.197 1.00 0.19 C ATOM 0 H ILE A 28 11.523 -1.383 -5.930 1.00 0.22 H new ATOM 0 HA ILE A 28 12.467 -3.126 -3.753 1.00 0.18 H new ATOM 0 HB ILE A 28 9.775 -2.883 -5.098 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.066 -2.936 -2.611 1.00 0.14 H new ATOM 0 HG13 ILE A 28 10.758 -2.660 -2.246 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.081 -4.902 -3.827 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.346 -5.271 -5.024 1.00 0.16 H new ATOM 0 HG23 ILE A 28 10.765 -5.132 -3.300 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.509 -0.566 -2.248 1.00 0.19 H new ATOM 0 HD12 ILE A 28 10.714 -0.575 -3.557 1.00 0.19 H new ATOM 0 HD13 ILE A 28 8.996 -0.856 -3.927 1.00 0.19 H new ATOM 477 N ALA A 29 13.045 -5.022 -5.280 1.00 0.21 N ATOM 478 CA ALA A 29 13.521 -6.048 -6.189 1.00 0.25 C ATOM 479 C ALA A 29 12.684 -7.310 -6.069 1.00 0.25 C ATOM 480 O ALA A 29 12.110 -7.790 -7.045 1.00 0.30 O ATOM 481 CB ALA A 29 14.989 -6.352 -5.932 1.00 0.30 C ATOM 0 H ALA A 29 13.337 -5.145 -4.310 1.00 0.21 H new ATOM 0 HA ALA A 29 13.421 -5.671 -7.207 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.327 -7.124 -6.624 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.579 -5.448 -6.080 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.114 -6.703 -4.908 1.00 0.30 H new ATOM 487 N ILE A 30 12.598 -7.828 -4.860 1.00 0.23 N ATOM 488 CA ILE A 30 11.869 -9.063 -4.613 1.00 0.25 C ATOM 489 C ILE A 30 11.154 -8.984 -3.268 1.00 0.22 C ATOM 490 O ILE A 30 10.076 -9.536 -3.098 1.00 0.22 O ATOM 491 CB ILE A 30 12.820 -10.292 -4.679 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.037 -11.619 -4.701 1.00 0.32 C ATOM 493 CG2 ILE A 30 13.825 -10.269 -3.529 1.00 0.30 C ATOM 494 CD1 ILE A 30 11.733 -12.205 -3.338 1.00 0.33 C ATOM 0 H ILE A 30 13.023 -7.415 -4.030 1.00 0.23 H new ATOM 0 HA ILE A 30 11.119 -9.192 -5.393 1.00 0.25 H new ATOM 0 HB ILE A 30 13.374 -10.225 -5.616 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.097 -11.460 -5.229 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.606 -12.350 -5.275 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.478 -11.139 -3.599 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.424 -9.360 -3.587 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.291 -10.291 -2.579 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.180 -13.137 -3.458 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.666 -12.402 -2.810 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.134 -11.499 -2.764 1.00 0.33 H new ATOM 506 N LYS A 31 11.762 -8.272 -2.327 1.00 0.21 N ATOM 507 CA LYS A 31 11.166 -8.032 -1.020 1.00 0.19 C ATOM 508 C LYS A 31 11.379 -6.574 -0.624 1.00 0.17 C ATOM 509 O LYS A 31 10.440 -5.863 -0.272 1.00 0.17 O ATOM 510 CB LYS A 31 11.785 -8.949 0.047 1.00 0.22 C ATOM 511 CG LYS A 31 11.809 -10.420 -0.339 1.00 0.26 C ATOM 512 CD LYS A 31 11.974 -11.323 0.871 1.00 0.35 C ATOM 513 CE LYS A 31 10.681 -11.429 1.668 1.00 0.47 C ATOM 514 NZ LYS A 31 10.810 -12.367 2.813 1.00 1.46 N ATOM 0 H LYS A 31 12.681 -7.846 -2.449 1.00 0.21 H new ATOM 0 HA LYS A 31 10.100 -8.250 -1.083 1.00 0.19 H new ATOM 0 HB2 LYS A 31 12.805 -8.620 0.247 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.226 -8.837 0.976 1.00 0.22 H new ATOM 0 HG2 LYS A 31 10.884 -10.674 -0.857 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.626 -10.598 -1.038 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.285 -12.316 0.546 1.00 0.35 H new ATOM 0 HD3 LYS A 31 12.766 -10.935 1.511 1.00 0.35 H new ATOM 0 HE2 LYS A 31 10.400 -10.443 2.037 1.00 0.47 H new ATOM 0 HE3 LYS A 31 9.877 -11.765 1.013 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 9.908 -12.410 3.329 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 11.053 -13.315 2.460 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 11.559 -12.033 3.452 1.00 1.46 H new ATOM 528 N ASP A 32 12.632 -6.148 -0.736 1.00 0.17 N ATOM 529 CA ASP A 32 13.076 -4.804 -0.360 1.00 0.16 C ATOM 530 C ASP A 32 12.386 -4.234 0.887 1.00 0.17 C ATOM 531 O ASP A 32 12.569 -4.773 1.973 1.00 0.25 O ATOM 532 CB ASP A 32 12.985 -3.870 -1.553 1.00 0.16 C ATOM 533 CG ASP A 32 14.340 -3.726 -2.205 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.161 -2.931 -1.703 1.00 1.18 O ATOM 535 OD2 ASP A 32 14.599 -4.432 -3.196 1.00 1.05 O ATOM 0 H ASP A 32 13.384 -6.735 -1.097 1.00 0.17 H new ATOM 0 HA ASP A 32 14.121 -4.893 -0.064 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.265 -4.258 -2.274 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.621 -2.894 -1.233 1.00 0.16 H new ATOM 540 N SER A 33 11.627 -3.138 0.751 1.00 0.13 N ATOM 541 CA SER A 33 11.003 -2.478 1.913 1.00 0.13 C ATOM 542 C SER A 33 9.908 -1.499 1.479 1.00 0.14 C ATOM 543 O SER A 33 10.112 -0.716 0.551 1.00 0.18 O ATOM 544 CB SER A 33 12.047 -1.685 2.719 1.00 0.17 C ATOM 545 OG SER A 33 13.153 -2.486 3.100 1.00 0.21 O ATOM 0 H SER A 33 11.429 -2.690 -0.144 1.00 0.13 H new ATOM 0 HA SER A 33 10.571 -3.269 2.526 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.399 -0.842 2.124 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.577 -1.271 3.611 1.00 0.17 H new ATOM 0 HG SER A 33 12.899 -3.432 3.065 1.00 0.21 H new ATOM 551 N ILE A 34 8.755 -1.543 2.152 1.00 0.13 N ATOM 552 CA ILE A 34 7.692 -0.554 1.933 1.00 0.15 C ATOM 553 C ILE A 34 7.030 -0.180 3.262 1.00 0.13 C ATOM 554 O ILE A 34 6.288 -0.972 3.831 1.00 0.14 O ATOM 555 CB ILE A 34 6.578 -1.048 0.976 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.142 -1.776 -0.246 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.730 0.128 0.531 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.343 -3.258 -0.025 1.00 0.19 C ATOM 0 H ILE A 34 8.532 -2.251 2.852 1.00 0.13 H new ATOM 0 HA ILE A 34 8.183 0.305 1.474 1.00 0.15 H new ATOM 0 HB ILE A 34 5.966 -1.764 1.525 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.467 -1.631 -1.089 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.096 -1.325 -0.520 1.00 0.19 H new ATOM 0 HG21 ILE A 34 4.947 -0.222 -0.142 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.275 0.599 1.402 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.357 0.853 0.012 1.00 0.28 H new ATOM 0 HD11 ILE A 34 7.745 -3.710 -0.932 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.042 -3.412 0.797 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.388 -3.722 0.219 1.00 0.19 H new ATOM 570 N GLU A 35 7.311 1.012 3.754 1.00 0.14 N ATOM 571 CA GLU A 35 6.726 1.502 4.999 1.00 0.13 C ATOM 572 C GLU A 35 5.548 2.417 4.689 1.00 0.15 C ATOM 573 O GLU A 35 5.595 3.180 3.725 1.00 0.20 O ATOM 574 CB GLU A 35 7.789 2.254 5.799 1.00 0.16 C ATOM 575 CG GLU A 35 7.298 2.802 7.128 1.00 0.28 C ATOM 576 CD GLU A 35 8.358 3.606 7.853 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.191 4.249 7.176 1.00 1.08 O ATOM 578 OE2 GLU A 35 8.354 3.608 9.100 1.00 1.31 O ATOM 0 H GLU A 35 7.949 1.670 3.307 1.00 0.14 H new ATOM 0 HA GLU A 35 6.367 0.660 5.591 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.630 1.585 5.983 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.165 3.080 5.195 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.424 3.430 6.957 1.00 0.28 H new ATOM 0 HG3 GLU A 35 6.977 1.975 7.762 1.00 0.28 H new ATOM 585 N PHE A 36 4.489 2.343 5.493 1.00 0.16 N ATOM 586 CA PHE A 36 3.289 3.123 5.203 1.00 0.17 C ATOM 587 C PHE A 36 2.904 4.085 6.329 1.00 0.18 C ATOM 588 O PHE A 36 3.233 3.890 7.503 1.00 0.19 O ATOM 589 CB PHE A 36 2.090 2.230 4.849 1.00 0.20 C ATOM 590 CG PHE A 36 2.374 0.758 4.871 1.00 0.17 C ATOM 591 CD1 PHE A 36 2.970 0.140 3.786 1.00 1.25 C ATOM 592 CD2 PHE A 36 2.029 -0.011 5.968 1.00 1.16 C ATOM 593 CE1 PHE A 36 3.221 -1.214 3.796 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.276 -1.366 5.982 1.00 1.13 C ATOM 595 CZ PHE A 36 2.872 -1.967 4.895 1.00 0.41 C ATOM 0 H PHE A 36 4.437 1.765 6.332 1.00 0.16 H new ATOM 0 HA PHE A 36 3.549 3.725 4.332 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.280 2.440 5.547 1.00 0.20 H new ATOM 0 HB3 PHE A 36 1.733 2.502 3.856 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.242 0.727 2.921 1.00 1.25 H new ATOM 0 HD2 PHE A 36 1.561 0.456 6.822 1.00 1.16 H new ATOM 0 HE1 PHE A 36 3.690 -1.684 2.944 1.00 1.33 H new ATOM 0 HE2 PHE A 36 2.003 -1.957 6.844 1.00 1.13 H new ATOM 0 HZ PHE A 36 3.066 -3.029 4.905 1.00 0.41 H new ATOM 605 N PHE A 37 2.193 5.128 5.920 1.00 0.21 N ATOM 606 CA PHE A 37 1.709 6.190 6.794 1.00 0.25 C ATOM 607 C PHE A 37 0.260 6.463 6.446 1.00 0.32 C ATOM 608 O PHE A 37 -0.058 6.680 5.286 1.00 0.65 O ATOM 609 CB PHE A 37 2.553 7.450 6.551 1.00 0.36 C ATOM 610 CG PHE A 37 2.193 8.659 7.377 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.136 9.482 7.014 1.00 1.41 C ATOM 612 CD2 PHE A 37 2.934 8.991 8.500 1.00 1.71 C ATOM 613 CE1 PHE A 37 0.823 10.604 7.759 1.00 1.87 C ATOM 614 CE2 PHE A 37 2.629 10.114 9.245 1.00 2.22 C ATOM 615 CZ PHE A 37 1.571 10.922 8.874 1.00 2.02 C ATOM 0 H PHE A 37 1.930 5.263 4.944 1.00 0.21 H new ATOM 0 HA PHE A 37 1.789 5.901 7.842 1.00 0.25 H new ATOM 0 HB2 PHE A 37 3.598 7.204 6.740 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.474 7.718 5.498 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.551 9.243 6.138 1.00 1.41 H new ATOM 0 HD2 PHE A 37 3.761 8.363 8.797 1.00 1.71 H new ATOM 0 HE1 PHE A 37 -0.007 11.231 7.468 1.00 1.87 H new ATOM 0 HE2 PHE A 37 3.217 10.360 10.117 1.00 2.22 H new ATOM 0 HZ PHE A 37 1.330 11.800 9.455 1.00 2.02 H new ATOM 625 N VAL A 38 -0.624 6.429 7.419 1.00 0.20 N ATOM 626 CA VAL A 38 -2.012 6.719 7.131 1.00 0.18 C ATOM 627 C VAL A 38 -2.311 8.195 7.354 1.00 0.18 C ATOM 628 O VAL A 38 -1.994 8.767 8.396 1.00 0.23 O ATOM 629 CB VAL A 38 -2.996 5.828 7.923 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.760 5.901 9.425 1.00 0.27 C ATOM 631 CG2 VAL A 38 -4.428 6.211 7.581 1.00 0.23 C ATOM 0 H VAL A 38 -0.415 6.209 8.393 1.00 0.20 H new ATOM 0 HA VAL A 38 -2.167 6.483 6.078 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.819 4.794 7.628 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -3.476 5.258 9.937 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.747 5.568 9.651 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.888 6.929 9.764 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -5.117 5.580 8.142 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.598 7.255 7.843 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.597 6.072 6.513 1.00 0.23 H new ATOM 641 N ASP A 39 -2.917 8.798 6.352 1.00 0.17 N ATOM 642 CA ASP A 39 -3.170 10.225 6.343 1.00 0.21 C ATOM 643 C ASP A 39 -4.642 10.462 6.070 1.00 0.23 C ATOM 644 O ASP A 39 -5.127 10.216 4.956 1.00 0.25 O ATOM 645 CB ASP A 39 -2.309 10.911 5.282 1.00 0.25 C ATOM 646 CG ASP A 39 -2.441 12.418 5.302 1.00 0.30 C ATOM 647 OD1 ASP A 39 -1.779 13.065 6.140 1.00 1.13 O ATOM 648 OD2 ASP A 39 -3.193 12.963 4.467 1.00 1.16 O ATOM 0 H ASP A 39 -3.249 8.312 5.519 1.00 0.17 H new ATOM 0 HA ASP A 39 -2.909 10.649 7.313 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.265 10.641 5.438 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.591 10.540 4.297 1.00 0.25 H new ATOM 653 N GLY A 40 -5.352 10.905 7.093 1.00 0.26 N ATOM 654 CA GLY A 40 -6.787 11.026 7.003 1.00 0.31 C ATOM 655 C GLY A 40 -7.434 9.659 7.029 1.00 0.27 C ATOM 656 O GLY A 40 -7.640 9.077 8.098 1.00 0.32 O ATOM 0 H GLY A 40 -4.955 11.185 7.990 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.160 11.628 7.832 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -7.058 11.546 6.084 1.00 0.31 H new ATOM 660 N ASP A 41 -7.733 9.139 5.851 1.00 0.25 N ATOM 661 CA ASP A 41 -8.253 7.786 5.723 1.00 0.25 C ATOM 662 C ASP A 41 -7.366 6.959 4.801 1.00 0.22 C ATOM 663 O ASP A 41 -7.524 5.748 4.706 1.00 0.30 O ATOM 664 CB ASP A 41 -9.684 7.798 5.169 1.00 0.36 C ATOM 665 CG ASP A 41 -10.651 8.579 6.035 1.00 1.20 C ATOM 666 OD1 ASP A 41 -11.166 8.016 7.025 1.00 1.84 O ATOM 667 OD2 ASP A 41 -10.909 9.761 5.721 1.00 2.00 O ATOM 0 H ASP A 41 -7.625 9.634 4.966 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.261 7.339 6.717 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.675 8.227 4.167 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -10.039 6.772 5.074 1.00 0.36 H new ATOM 672 N LYS A 42 -6.407 7.611 4.153 1.00 0.21 N ATOM 673 CA LYS A 42 -5.650 6.978 3.076 1.00 0.24 C ATOM 674 C LYS A 42 -4.289 6.499 3.576 1.00 0.17 C ATOM 675 O LYS A 42 -3.847 6.892 4.648 1.00 0.17 O ATOM 676 CB LYS A 42 -5.483 7.958 1.905 1.00 0.36 C ATOM 677 CG LYS A 42 -4.064 8.484 1.733 1.00 0.31 C ATOM 678 CD LYS A 42 -3.985 9.570 0.671 1.00 0.31 C ATOM 679 CE LYS A 42 -4.767 10.815 1.065 1.00 0.73 C ATOM 680 NZ LYS A 42 -4.170 11.511 2.237 1.00 1.05 N ATOM 0 H LYS A 42 -6.135 8.574 4.353 1.00 0.21 H new ATOM 0 HA LYS A 42 -6.204 6.106 2.728 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.790 7.463 0.984 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -6.157 8.802 2.052 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -3.706 8.879 2.684 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -3.403 7.661 1.461 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.942 9.836 0.502 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -4.372 9.183 -0.272 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -4.804 11.501 0.219 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -5.795 10.537 1.296 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -4.437 12.516 2.217 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -4.522 11.077 3.114 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -3.134 11.427 2.200 1.00 1.05 H new ATOM 694 N ILE A 43 -3.621 5.676 2.782 1.00 0.16 N ATOM 695 CA ILE A 43 -2.341 5.102 3.181 1.00 0.14 C ATOM 696 C ILE A 43 -1.233 5.590 2.246 1.00 0.15 C ATOM 697 O ILE A 43 -1.457 5.764 1.048 1.00 0.17 O ATOM 698 CB ILE A 43 -2.384 3.551 3.177 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.485 3.029 4.113 1.00 0.14 C ATOM 700 CG2 ILE A 43 -1.031 2.969 3.579 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.128 3.078 5.587 1.00 0.15 C ATOM 0 H ILE A 43 -3.942 5.389 1.857 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.133 5.431 4.199 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.613 3.228 2.162 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.390 3.614 3.951 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.718 1.999 3.842 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.086 1.880 3.569 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.268 3.301 2.874 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.772 3.310 4.581 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.960 2.692 6.176 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.242 2.469 5.767 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.925 4.109 5.878 1.00 0.15 H new ATOM 713 N ILE A 44 -0.052 5.821 2.801 1.00 0.14 N ATOM 714 CA ILE A 44 1.075 6.360 2.050 1.00 0.16 C ATOM 715 C ILE A 44 2.265 5.410 2.121 1.00 0.16 C ATOM 716 O ILE A 44 2.778 5.143 3.201 1.00 0.22 O ATOM 717 CB ILE A 44 1.493 7.730 2.623 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.284 8.667 2.688 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.605 8.343 1.783 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.514 9.903 3.531 1.00 0.27 C ATOM 0 H ILE A 44 0.153 5.641 3.784 1.00 0.14 H new ATOM 0 HA ILE A 44 0.765 6.477 1.012 1.00 0.16 H new ATOM 0 HB ILE A 44 1.872 7.585 3.634 1.00 0.20 H new ATOM 0 HG12 ILE A 44 0.018 8.973 1.676 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.568 8.118 3.089 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.887 9.309 2.202 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.470 7.680 1.785 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.255 8.480 0.760 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.386 10.517 3.529 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.749 9.607 4.553 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.345 10.475 3.118 1.00 0.27 H new ATOM 732 N LEU A 45 2.701 4.909 0.975 1.00 0.15 N ATOM 733 CA LEU A 45 3.774 3.923 0.932 1.00 0.17 C ATOM 734 C LEU A 45 5.096 4.549 0.498 1.00 0.20 C ATOM 735 O LEU A 45 5.150 5.302 -0.477 1.00 0.26 O ATOM 736 CB LEU A 45 3.408 2.766 -0.001 1.00 0.21 C ATOM 737 CG LEU A 45 2.575 1.642 0.632 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.233 2.156 1.124 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.375 0.505 -0.354 1.00 0.32 C ATOM 0 H LEU A 45 2.329 5.168 0.061 1.00 0.15 H new ATOM 0 HA LEU A 45 3.901 3.536 1.943 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.856 3.168 -0.851 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.329 2.335 -0.394 1.00 0.21 H new ATOM 0 HG LEU A 45 3.127 1.267 1.494 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.669 1.335 1.566 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.393 2.931 1.873 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.673 2.571 0.286 1.00 0.18 H new ATOM 0 HD21 LEU A 45 1.783 -0.282 0.113 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.854 0.876 -1.237 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.345 0.103 -0.647 1.00 0.32 H new ATOM 751 N LYS A 46 6.151 4.219 1.235 1.00 0.19 N ATOM 752 CA LYS A 46 7.490 4.745 0.992 1.00 0.30 C ATOM 753 C LYS A 46 8.539 3.658 1.238 1.00 0.22 C ATOM 754 O LYS A 46 8.387 2.839 2.136 1.00 0.30 O ATOM 755 CB LYS A 46 7.749 5.929 1.934 1.00 0.52 C ATOM 756 CG LYS A 46 9.173 6.460 1.891 1.00 0.86 C ATOM 757 CD LYS A 46 9.654 6.882 3.274 1.00 1.04 C ATOM 758 CE LYS A 46 9.565 5.729 4.264 1.00 1.30 C ATOM 759 NZ LYS A 46 10.176 6.063 5.577 1.00 2.16 N ATOM 0 H LYS A 46 6.101 3.574 2.024 1.00 0.19 H new ATOM 0 HA LYS A 46 7.560 5.075 -0.045 1.00 0.30 H new ATOM 0 HB2 LYS A 46 7.064 6.738 1.680 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.518 5.624 2.955 1.00 0.52 H new ATOM 0 HG2 LYS A 46 9.837 5.693 1.492 1.00 0.86 H new ATOM 0 HG3 LYS A 46 9.225 7.311 1.211 1.00 0.86 H new ATOM 0 HD2 LYS A 46 10.684 7.233 3.212 1.00 1.04 H new ATOM 0 HD3 LYS A 46 9.053 7.718 3.631 1.00 1.04 H new ATOM 0 HE2 LYS A 46 8.519 5.459 4.411 1.00 1.30 H new ATOM 0 HE3 LYS A 46 10.064 4.855 3.846 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 9.771 5.451 6.314 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 11.204 5.914 5.529 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 9.980 7.058 5.808 1.00 2.16 H new ATOM 773 N LYS A 47 9.600 3.650 0.447 1.00 0.27 N ATOM 774 CA LYS A 47 10.705 2.719 0.671 1.00 0.28 C ATOM 775 C LYS A 47 11.531 3.222 1.856 1.00 0.25 C ATOM 776 O LYS A 47 11.668 4.429 2.046 1.00 0.32 O ATOM 777 CB LYS A 47 11.564 2.602 -0.601 1.00 0.37 C ATOM 778 CG LYS A 47 12.245 1.249 -0.797 1.00 0.41 C ATOM 779 CD LYS A 47 13.407 1.037 0.162 1.00 0.36 C ATOM 780 CE LYS A 47 14.101 -0.297 -0.067 1.00 0.52 C ATOM 781 NZ LYS A 47 14.829 -0.348 -1.363 1.00 0.39 N ATOM 0 H LYS A 47 9.724 4.272 -0.352 1.00 0.27 H new ATOM 0 HA LYS A 47 10.322 1.724 0.900 1.00 0.28 H new ATOM 0 HB2 LYS A 47 10.934 2.803 -1.467 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.330 3.377 -0.577 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.513 0.454 -0.657 1.00 0.41 H new ATOM 0 HG3 LYS A 47 12.606 1.173 -1.823 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.128 1.846 0.042 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.043 1.084 1.188 1.00 0.36 H new ATOM 0 HE2 LYS A 47 14.802 -0.482 0.747 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.361 -1.097 -0.038 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.432 -1.195 -1.389 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 14.144 -0.386 -2.145 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.421 0.502 -1.463 1.00 0.39 H new ATOM 795 N TYR A 48 12.082 2.307 2.643 1.00 0.22 N ATOM 796 CA TYR A 48 12.744 2.676 3.891 1.00 0.22 C ATOM 797 C TYR A 48 14.050 3.414 3.617 1.00 0.27 C ATOM 798 O TYR A 48 14.286 4.508 4.124 1.00 0.32 O ATOM 799 CB TYR A 48 13.036 1.416 4.719 1.00 0.23 C ATOM 800 CG TYR A 48 13.806 1.700 5.994 1.00 0.30 C ATOM 801 CD1 TYR A 48 13.161 2.118 7.153 1.00 1.15 C ATOM 802 CD2 TYR A 48 15.189 1.567 6.026 1.00 1.16 C ATOM 803 CE1 TYR A 48 13.876 2.392 8.306 1.00 1.17 C ATOM 804 CE2 TYR A 48 15.908 1.843 7.170 1.00 1.25 C ATOM 805 CZ TYR A 48 15.249 2.255 8.307 1.00 0.58 C ATOM 806 OH TYR A 48 15.971 2.541 9.446 1.00 0.74 O ATOM 0 H TYR A 48 12.085 1.307 2.442 1.00 0.22 H new ATOM 0 HA TYR A 48 12.079 3.337 4.447 1.00 0.22 H new ATOM 0 HB2 TYR A 48 12.094 0.930 4.973 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.603 0.713 4.109 1.00 0.23 H new ATOM 0 HD1 TYR A 48 12.087 2.230 7.153 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.711 1.241 5.138 1.00 1.16 H new ATOM 0 HE1 TYR A 48 13.362 2.711 9.200 1.00 1.17 H new ATOM 0 HE2 TYR A 48 16.983 1.737 7.174 1.00 1.25 H new ATOM 0 HH TYR A 48 16.924 2.391 9.275 1.00 0.74 H new ATOM 816 N LYS A 49 14.877 2.772 2.813 1.00 0.33 N ATOM 817 CA LYS A 49 16.239 3.216 2.522 1.00 0.49 C ATOM 818 C LYS A 49 16.344 4.676 2.024 1.00 0.57 C ATOM 819 O LYS A 49 17.101 5.450 2.610 1.00 0.64 O ATOM 820 CB LYS A 49 16.845 2.256 1.499 1.00 0.63 C ATOM 821 CG LYS A 49 18.354 2.099 1.611 1.00 0.91 C ATOM 822 CD LYS A 49 18.763 1.628 2.997 1.00 2.03 C ATOM 823 CE LYS A 49 20.254 1.346 3.079 1.00 2.39 C ATOM 824 NZ LYS A 49 21.073 2.527 2.702 1.00 2.86 N ATOM 0 H LYS A 49 14.621 1.910 2.332 1.00 0.33 H new ATOM 0 HA LYS A 49 16.793 3.201 3.461 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.379 1.277 1.615 1.00 0.63 H new ATOM 0 HB3 LYS A 49 16.601 2.609 0.497 1.00 0.63 H new ATOM 0 HG2 LYS A 49 18.703 1.385 0.865 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.837 3.051 1.392 1.00 0.91 H new ATOM 0 HD2 LYS A 49 18.495 2.387 3.733 1.00 2.03 H new ATOM 0 HD3 LYS A 49 18.208 0.726 3.253 1.00 2.03 H new ATOM 0 HE2 LYS A 49 20.508 1.039 4.094 1.00 2.39 H new ATOM 0 HE3 LYS A 49 20.500 0.511 2.423 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 22.077 2.326 2.886 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 20.941 2.733 1.691 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 20.776 3.350 3.265 1.00 2.86 H new ATOM 838 N PRO A 50 15.610 5.063 0.940 1.00 0.64 N ATOM 839 CA PRO A 50 15.712 6.395 0.311 1.00 0.86 C ATOM 840 C PRO A 50 15.930 7.546 1.290 1.00 0.91 C ATOM 841 O PRO A 50 16.955 8.230 1.248 1.00 1.81 O ATOM 842 CB PRO A 50 14.361 6.538 -0.378 1.00 1.03 C ATOM 843 CG PRO A 50 14.030 5.158 -0.812 1.00 0.79 C ATOM 844 CD PRO A 50 14.626 4.231 0.220 1.00 0.59 C ATOM 0 HA PRO A 50 16.580 6.453 -0.346 1.00 0.86 H new ATOM 0 HB2 PRO A 50 13.607 6.934 0.302 1.00 1.03 H new ATOM 0 HB3 PRO A 50 14.416 7.221 -1.226 1.00 1.03 H new ATOM 0 HG2 PRO A 50 12.951 5.021 -0.880 1.00 0.79 H new ATOM 0 HG3 PRO A 50 14.440 4.953 -1.801 1.00 0.79 H new ATOM 0 HD2 PRO A 50 13.862 3.846 0.895 1.00 0.59 H new ATOM 0 HD3 PRO A 50 15.102 3.369 -0.248 1.00 0.59 H new ATOM 852 N HIS A 51 14.964 7.759 2.163 1.00 0.98 N ATOM 853 CA HIS A 51 15.047 8.818 3.154 1.00 1.17 C ATOM 854 C HIS A 51 14.589 8.257 4.493 1.00 1.76 C ATOM 855 O HIS A 51 13.392 8.203 4.785 1.00 2.56 O ATOM 856 CB HIS A 51 14.187 10.015 2.720 1.00 2.12 C ATOM 857 CG HIS A 51 14.378 11.252 3.545 1.00 2.93 C ATOM 858 ND1 HIS A 51 15.430 12.124 3.367 1.00 3.83 N ATOM 859 CD2 HIS A 51 13.626 11.778 4.539 1.00 3.56 C ATOM 860 CE1 HIS A 51 15.318 13.128 4.216 1.00 4.69 C ATOM 861 NE2 HIS A 51 14.228 12.946 4.938 1.00 4.56 N ATOM 0 H HIS A 51 14.106 7.209 2.207 1.00 0.98 H new ATOM 0 HA HIS A 51 16.073 9.174 3.249 1.00 1.17 H new ATOM 0 HB2 HIS A 51 14.413 10.249 1.680 1.00 2.12 H new ATOM 0 HB3 HIS A 51 13.137 9.725 2.761 1.00 2.12 H new ATOM 0 HD2 HIS A 51 12.718 11.356 4.945 1.00 3.56 H new ATOM 0 HE1 HIS A 51 16.003 13.959 4.305 1.00 4.69 H new ATOM 0 HE2 HIS A 51 13.889 13.569 5.671 1.00 4.56 H new ATOM 870 N GLY A 52 15.553 7.797 5.274 1.00 2.14 N ATOM 871 CA GLY A 52 15.258 7.093 6.503 1.00 3.14 C ATOM 872 C GLY A 52 14.675 7.982 7.577 1.00 2.89 C ATOM 873 O GLY A 52 15.405 8.583 8.366 1.00 3.06 O ATOM 0 H GLY A 52 16.548 7.901 5.075 1.00 2.14 H new ATOM 0 HA2 GLY A 52 14.558 6.284 6.291 1.00 3.14 H new ATOM 0 HA3 GLY A 52 16.172 6.633 6.878 1.00 3.14 H new ATOM 877 N VAL A 53 13.359 8.077 7.589 1.00 2.85 N ATOM 878 CA VAL A 53 12.643 8.775 8.641 1.00 2.75 C ATOM 879 C VAL A 53 11.201 8.287 8.685 1.00 2.07 C ATOM 880 O VAL A 53 10.614 7.948 7.650 1.00 1.96 O ATOM 881 CB VAL A 53 12.676 10.314 8.450 1.00 3.40 C ATOM 882 CG1 VAL A 53 11.855 10.737 7.241 1.00 3.54 C ATOM 883 CG2 VAL A 53 12.198 11.022 9.711 1.00 3.58 C ATOM 0 H VAL A 53 12.757 7.674 6.871 1.00 2.85 H new ATOM 0 HA VAL A 53 13.141 8.555 9.585 1.00 2.75 H new ATOM 0 HB VAL A 53 13.709 10.608 8.265 1.00 3.40 H new ATOM 0 HG11 VAL A 53 11.898 11.821 7.133 1.00 3.54 H new ATOM 0 HG12 VAL A 53 12.259 10.267 6.344 1.00 3.54 H new ATOM 0 HG13 VAL A 53 10.819 10.426 7.378 1.00 3.54 H new ATOM 0 HG21 VAL A 53 12.229 12.101 9.557 1.00 3.58 H new ATOM 0 HG22 VAL A 53 11.176 10.716 9.935 1.00 3.58 H new ATOM 0 HG23 VAL A 53 12.847 10.756 10.546 1.00 3.58 H new ATOM 893 N CYS A 54 10.647 8.220 9.878 1.00 1.91 N ATOM 894 CA CYS A 54 9.274 7.790 10.049 1.00 1.51 C ATOM 895 C CYS A 54 8.385 8.976 10.379 1.00 2.04 C ATOM 896 O CYS A 54 7.656 9.438 9.480 1.00 2.71 O ATOM 897 CB CYS A 54 9.169 6.738 11.150 1.00 1.90 C ATOM 898 SG CYS A 54 10.060 5.204 10.807 1.00 2.87 S ATOM 899 OXT CYS A 54 8.433 9.439 11.537 1.00 2.46 O ATOM 0 H CYS A 54 11.127 8.458 10.746 1.00 1.91 H new ATOM 0 HA CYS A 54 8.939 7.346 9.112 1.00 1.51 H new ATOM 0 HB2 CYS A 54 9.548 7.164 12.079 1.00 1.90 H new ATOM 0 HB3 CYS A 54 8.117 6.504 11.312 1.00 1.90 H new ATOM 0 HG CYS A 54 9.310 4.417 10.094 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 7.899 8.654 14.364 1.00 2.43 N ATOM 907 CA MET B 1 7.393 7.401 13.756 1.00 1.54 C ATOM 908 C MET B 1 6.230 7.704 12.832 1.00 1.28 C ATOM 909 O MET B 1 5.519 8.687 13.030 1.00 1.95 O ATOM 910 CB MET B 1 6.947 6.398 14.826 1.00 1.98 C ATOM 911 CG MET B 1 8.097 5.726 15.555 1.00 2.66 C ATOM 912 SD MET B 1 7.546 4.465 16.724 1.00 3.87 S ATOM 913 CE MET B 1 6.688 3.332 15.631 1.00 4.74 C ATOM 0 H1 MET B 1 8.674 8.433 15.021 1.00 2.43 H new ATOM 0 H2 MET B 1 8.250 9.286 13.616 1.00 2.43 H new ATOM 0 H3 MET B 1 7.129 9.124 14.882 1.00 2.43 H new ATOM 0 HA MET B 1 8.209 6.955 13.188 1.00 1.54 H new ATOM 0 HB2 MET B 1 6.319 6.913 15.554 1.00 1.98 H new ATOM 0 HB3 MET B 1 6.329 5.632 14.357 1.00 1.98 H new ATOM 0 HG2 MET B 1 8.766 5.270 14.825 1.00 2.66 H new ATOM 0 HG3 MET B 1 8.674 6.482 16.088 1.00 2.66 H new ATOM 0 HE1 MET B 1 6.862 2.307 15.960 1.00 4.74 H new ATOM 0 HE2 MET B 1 5.619 3.544 15.654 1.00 4.74 H new ATOM 0 HE3 MET B 1 7.061 3.455 14.614 1.00 4.74 H new ATOM 925 N LYS B 2 6.040 6.868 11.816 1.00 0.96 N ATOM 926 CA LYS B 2 4.929 7.057 10.902 1.00 0.62 C ATOM 927 C LYS B 2 3.640 6.686 11.601 1.00 0.56 C ATOM 928 O LYS B 2 3.658 6.135 12.705 1.00 0.73 O ATOM 929 CB LYS B 2 5.079 6.222 9.626 1.00 0.60 C ATOM 930 CG LYS B 2 6.447 6.335 8.978 1.00 0.66 C ATOM 931 CD LYS B 2 6.376 6.339 7.457 1.00 0.87 C ATOM 932 CE LYS B 2 5.817 7.644 6.909 1.00 1.74 C ATOM 933 NZ LYS B 2 6.728 8.802 7.126 1.00 2.31 N ATOM 0 H LYS B 2 6.634 6.065 11.610 1.00 0.96 H new ATOM 0 HA LYS B 2 4.916 8.106 10.606 1.00 0.62 H new ATOM 0 HB2 LYS B 2 4.884 5.176 9.862 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.320 6.533 8.908 1.00 0.60 H new ATOM 0 HG2 LYS B 2 6.931 7.250 9.318 1.00 0.66 H new ATOM 0 HG3 LYS B 2 7.070 5.504 9.307 1.00 0.66 H new ATOM 0 HD2 LYS B 2 7.373 6.173 7.048 1.00 0.87 H new ATOM 0 HD3 LYS B 2 5.752 5.510 7.122 1.00 0.87 H new ATOM 0 HE2 LYS B 2 5.628 7.532 5.841 1.00 1.74 H new ATOM 0 HE3 LYS B 2 4.857 7.850 7.383 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 6.336 9.645 6.659 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 6.822 8.983 8.146 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 7.663 8.588 6.725 1.00 2.31 H new ATOM 947 N SER B 3 2.532 6.971 10.950 1.00 0.42 N ATOM 948 CA SER B 3 1.223 6.704 11.512 1.00 0.40 C ATOM 949 C SER B 3 1.050 5.230 11.854 1.00 0.37 C ATOM 950 O SER B 3 0.368 4.877 12.816 1.00 0.50 O ATOM 951 CB SER B 3 0.155 7.139 10.524 1.00 0.39 C ATOM 952 OG SER B 3 0.181 8.535 10.337 1.00 1.00 O ATOM 0 H SER B 3 2.512 7.392 10.021 1.00 0.42 H new ATOM 0 HA SER B 3 1.125 7.270 12.438 1.00 0.40 H new ATOM 0 HB2 SER B 3 0.312 6.637 9.569 1.00 0.39 H new ATOM 0 HB3 SER B 3 -0.827 6.835 10.887 1.00 0.39 H new ATOM 0 HG SER B 3 1.006 8.787 9.871 1.00 1.00 H new ATOM 958 N ILE B 4 1.661 4.376 11.053 1.00 0.27 N ATOM 959 CA ILE B 4 1.641 2.953 11.316 1.00 0.24 C ATOM 960 C ILE B 4 3.006 2.527 11.838 1.00 0.26 C ATOM 961 O ILE B 4 3.113 1.803 12.827 1.00 0.32 O ATOM 962 CB ILE B 4 1.300 2.151 10.044 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.262 2.905 9.205 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.780 0.775 10.425 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.130 2.196 7.924 1.00 0.23 C ATOM 0 H ILE B 4 2.177 4.646 10.215 1.00 0.27 H new ATOM 0 HA ILE B 4 0.870 2.748 12.059 1.00 0.24 H new ATOM 0 HB ILE B 4 2.203 2.031 9.446 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.632 3.063 9.808 1.00 0.27 H new ATOM 0 HG13 ILE B 4 0.657 3.890 8.956 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.541 0.213 9.522 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.543 0.242 10.992 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.117 0.881 11.034 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.867 2.794 7.388 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.752 2.061 7.298 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.557 1.222 8.163 1.00 0.23 H new ATOM 977 N GLY B 5 4.048 3.003 11.160 1.00 0.27 N ATOM 978 CA GLY B 5 5.407 2.753 11.600 1.00 0.32 C ATOM 979 C GLY B 5 5.864 1.351 11.277 1.00 0.31 C ATOM 980 O GLY B 5 6.784 0.827 11.903 1.00 0.43 O ATOM 0 H GLY B 5 3.972 3.560 10.309 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.078 3.470 11.126 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.474 2.916 12.676 1.00 0.32 H new ATOM 984 N VAL B 6 5.214 0.735 10.303 1.00 0.20 N ATOM 985 CA VAL B 6 5.581 -0.604 9.888 1.00 0.16 C ATOM 986 C VAL B 6 6.051 -0.612 8.442 1.00 0.12 C ATOM 987 O VAL B 6 5.419 -0.025 7.560 1.00 0.13 O ATOM 988 CB VAL B 6 4.423 -1.618 10.067 1.00 0.19 C ATOM 989 CG1 VAL B 6 4.029 -1.743 11.530 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.214 -1.234 9.231 1.00 0.22 C ATOM 0 H VAL B 6 4.433 1.141 9.788 1.00 0.20 H new ATOM 0 HA VAL B 6 6.399 -0.917 10.537 1.00 0.16 H new ATOM 0 HB VAL B 6 4.784 -2.586 9.719 1.00 0.19 H new ATOM 0 HG11 VAL B 6 3.214 -2.461 11.627 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.886 -2.086 12.110 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.704 -0.772 11.903 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.421 -1.967 9.380 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.860 -0.249 9.534 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.493 -1.211 8.177 1.00 0.22 H new ATOM 1000 N VAL B 7 7.174 -1.266 8.211 1.00 0.12 N ATOM 1001 CA VAL B 7 7.688 -1.445 6.869 1.00 0.12 C ATOM 1002 C VAL B 7 7.440 -2.882 6.430 1.00 0.12 C ATOM 1003 O VAL B 7 7.500 -3.809 7.242 1.00 0.15 O ATOM 1004 CB VAL B 7 9.194 -1.092 6.787 1.00 0.13 C ATOM 1005 CG1 VAL B 7 10.043 -2.068 7.586 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.656 -1.026 5.342 1.00 0.15 C ATOM 0 H VAL B 7 7.750 -1.684 8.942 1.00 0.12 H new ATOM 0 HA VAL B 7 7.166 -0.765 6.196 1.00 0.12 H new ATOM 0 HB VAL B 7 9.325 -0.106 7.232 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.093 -1.788 7.504 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.740 -2.041 8.633 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.905 -3.076 7.194 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.717 -0.777 5.310 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.496 -1.993 4.864 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.087 -0.261 4.813 1.00 0.15 H new ATOM 1016 N ARG B 8 7.124 -3.061 5.164 1.00 0.12 N ATOM 1017 CA ARG B 8 6.763 -4.367 4.650 1.00 0.13 C ATOM 1018 C ARG B 8 7.796 -4.871 3.679 1.00 0.13 C ATOM 1019 O ARG B 8 8.576 -4.098 3.122 1.00 0.16 O ATOM 1020 CB ARG B 8 5.389 -4.342 3.975 1.00 0.15 C ATOM 1021 CG ARG B 8 4.314 -5.059 4.771 1.00 0.30 C ATOM 1022 CD ARG B 8 4.309 -4.588 6.215 1.00 0.18 C ATOM 1023 NE ARG B 8 3.231 -5.187 6.997 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.314 -5.447 8.302 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.434 -5.190 8.962 1.00 0.55 N ATOM 1026 NH2 ARG B 8 2.280 -5.972 8.946 1.00 1.09 N ATOM 0 H ARG B 8 7.110 -2.315 4.469 1.00 0.12 H new ATOM 0 HA ARG B 8 6.718 -5.045 5.502 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.087 -3.306 3.821 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.468 -4.801 2.989 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.338 -4.876 4.321 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.485 -6.135 4.735 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.266 -4.832 6.676 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.211 -3.503 6.239 1.00 0.18 H new ATOM 0 HE ARG B 8 2.362 -5.420 6.516 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.235 -4.792 8.472 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.495 -5.390 9.960 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.417 -6.178 8.443 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.348 -6.169 9.944 1.00 1.09 H new ATOM 1040 N LYS B 9 7.797 -6.168 3.500 1.00 0.13 N ATOM 1041 CA LYS B 9 8.697 -6.812 2.580 1.00 0.14 C ATOM 1042 C LYS B 9 7.889 -7.517 1.506 1.00 0.17 C ATOM 1043 O LYS B 9 7.042 -8.357 1.814 1.00 0.21 O ATOM 1044 CB LYS B 9 9.579 -7.812 3.331 1.00 0.19 C ATOM 1045 CG LYS B 9 10.306 -7.208 4.530 1.00 0.54 C ATOM 1046 CD LYS B 9 11.127 -5.985 4.138 1.00 0.26 C ATOM 1047 CE LYS B 9 11.900 -5.412 5.316 1.00 0.79 C ATOM 1048 NZ LYS B 9 12.904 -6.373 5.845 1.00 1.16 N ATOM 0 H LYS B 9 7.172 -6.808 3.990 1.00 0.13 H new ATOM 0 HA LYS B 9 9.342 -6.068 2.112 1.00 0.14 H new ATOM 0 HB2 LYS B 9 8.962 -8.643 3.672 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.315 -8.224 2.641 1.00 0.19 H new ATOM 0 HG2 LYS B 9 9.579 -6.928 5.293 1.00 0.54 H new ATOM 0 HG3 LYS B 9 10.961 -7.958 4.974 1.00 0.54 H new ATOM 0 HD2 LYS B 9 11.824 -6.256 3.345 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.465 -5.220 3.733 1.00 0.26 H new ATOM 0 HE2 LYS B 9 12.403 -4.495 5.008 1.00 0.79 H new ATOM 0 HE3 LYS B 9 11.203 -5.142 6.110 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 13.542 -5.882 6.503 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 12.417 -7.144 6.345 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 13.457 -6.767 5.057 1.00 1.16 H new ATOM 1062 N VAL B 10 8.125 -7.147 0.256 1.00 0.16 N ATOM 1063 CA VAL B 10 7.441 -7.765 -0.867 1.00 0.18 C ATOM 1064 C VAL B 10 7.686 -9.271 -0.872 1.00 0.20 C ATOM 1065 O VAL B 10 8.762 -9.735 -0.515 1.00 0.25 O ATOM 1066 CB VAL B 10 7.880 -7.120 -2.212 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.547 -8.011 -3.394 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.216 -5.767 -2.387 1.00 0.16 C ATOM 0 H VAL B 10 8.789 -6.418 -0.005 1.00 0.16 H new ATOM 0 HA VAL B 10 6.370 -7.593 -0.755 1.00 0.18 H new ATOM 0 HB VAL B 10 8.962 -6.993 -2.178 1.00 0.18 H new ATOM 0 HG11 VAL B 10 7.868 -7.527 -4.316 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.062 -8.966 -3.286 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.471 -8.181 -3.430 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.532 -5.326 -3.333 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.133 -5.891 -2.388 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.505 -5.111 -1.566 1.00 0.16 H new ATOM 1078 N ASP B 11 6.658 -10.025 -1.216 1.00 0.18 N ATOM 1079 CA ASP B 11 6.764 -11.473 -1.284 1.00 0.20 C ATOM 1080 C ASP B 11 7.677 -11.857 -2.438 1.00 0.23 C ATOM 1081 O ASP B 11 8.819 -12.251 -2.222 1.00 0.26 O ATOM 1082 CB ASP B 11 5.379 -12.098 -1.453 1.00 0.23 C ATOM 1083 CG ASP B 11 5.415 -13.611 -1.458 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.766 -14.208 -0.418 1.00 1.22 O ATOM 1085 OD2 ASP B 11 5.067 -14.209 -2.494 1.00 1.14 O ATOM 0 H ASP B 11 5.736 -9.658 -1.454 1.00 0.18 H new ATOM 0 HA ASP B 11 7.191 -11.851 -0.355 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.731 -11.757 -0.646 1.00 0.23 H new ATOM 0 HB3 ASP B 11 4.938 -11.747 -2.386 1.00 0.23 H new ATOM 1090 N GLU B 12 7.169 -11.727 -3.658 1.00 0.24 N ATOM 1091 CA GLU B 12 7.985 -11.895 -4.860 1.00 0.28 C ATOM 1092 C GLU B 12 7.453 -10.994 -5.964 1.00 0.27 C ATOM 1093 O GLU B 12 8.170 -10.167 -6.517 1.00 0.34 O ATOM 1094 CB GLU B 12 7.971 -13.347 -5.360 1.00 0.35 C ATOM 1095 CG GLU B 12 8.334 -14.375 -4.307 1.00 0.40 C ATOM 1096 CD GLU B 12 8.591 -15.746 -4.892 1.00 0.48 C ATOM 1097 OE1 GLU B 12 9.737 -16.014 -5.313 1.00 1.17 O ATOM 1098 OE2 GLU B 12 7.649 -16.570 -4.931 1.00 1.22 O ATOM 0 H GLU B 12 6.191 -11.505 -3.844 1.00 0.24 H new ATOM 0 HA GLU B 12 9.010 -11.629 -4.603 1.00 0.28 H new ATOM 0 HB2 GLU B 12 6.978 -13.576 -5.747 1.00 0.35 H new ATOM 0 HB3 GLU B 12 8.667 -13.438 -6.194 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.222 -14.041 -3.771 1.00 0.40 H new ATOM 0 HG3 GLU B 12 7.527 -14.442 -3.577 1.00 0.40 H new ATOM 1105 N LEU B 13 6.168 -11.157 -6.252 1.00 0.26 N ATOM 1106 CA LEU B 13 5.505 -10.439 -7.335 1.00 0.26 C ATOM 1107 C LEU B 13 5.207 -8.999 -6.931 1.00 0.25 C ATOM 1108 O LEU B 13 4.930 -8.148 -7.776 1.00 0.39 O ATOM 1109 CB LEU B 13 4.191 -11.138 -7.712 1.00 0.32 C ATOM 1110 CG LEU B 13 4.197 -12.669 -7.623 1.00 0.32 C ATOM 1111 CD1 LEU B 13 3.938 -13.129 -6.195 1.00 0.90 C ATOM 1112 CD2 LEU B 13 3.163 -13.268 -8.559 1.00 0.79 C ATOM 0 H LEU B 13 5.554 -11.792 -5.741 1.00 0.26 H new ATOM 0 HA LEU B 13 6.177 -10.435 -8.193 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.401 -10.759 -7.063 1.00 0.32 H new ATOM 0 HB3 LEU B 13 3.930 -10.854 -8.731 1.00 0.32 H new ATOM 0 HG LEU B 13 5.184 -13.017 -7.927 1.00 0.32 H new ATOM 0 HD11 LEU B 13 3.947 -14.218 -6.156 1.00 0.90 H new ATOM 0 HD12 LEU B 13 4.715 -12.736 -5.540 1.00 0.90 H new ATOM 0 HD13 LEU B 13 2.966 -12.762 -5.865 1.00 0.90 H new ATOM 0 HD21 LEU B 13 3.186 -14.355 -8.479 1.00 0.79 H new ATOM 0 HD22 LEU B 13 2.172 -12.905 -8.287 1.00 0.79 H new ATOM 0 HD23 LEU B 13 3.388 -12.975 -9.585 1.00 0.79 H new ATOM 1124 N GLY B 14 5.255 -8.740 -5.635 1.00 0.15 N ATOM 1125 CA GLY B 14 4.952 -7.418 -5.127 1.00 0.13 C ATOM 1126 C GLY B 14 3.894 -7.463 -4.053 1.00 0.11 C ATOM 1127 O GLY B 14 3.516 -6.440 -3.495 1.00 0.12 O ATOM 0 H GLY B 14 5.500 -9.426 -4.921 1.00 0.15 H new ATOM 0 HA2 GLY B 14 5.859 -6.965 -4.726 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.613 -6.782 -5.945 1.00 0.13 H new ATOM 1131 N ARG B 15 3.412 -8.662 -3.766 1.00 0.11 N ATOM 1132 CA ARG B 15 2.422 -8.855 -2.718 1.00 0.11 C ATOM 1133 C ARG B 15 3.033 -8.554 -1.356 1.00 0.09 C ATOM 1134 O ARG B 15 4.081 -9.100 -1.014 1.00 0.12 O ATOM 1135 CB ARG B 15 1.896 -10.298 -2.728 1.00 0.14 C ATOM 1136 CG ARG B 15 1.254 -10.716 -4.039 1.00 0.17 C ATOM 1137 CD ARG B 15 0.280 -11.872 -3.842 1.00 0.29 C ATOM 1138 NE ARG B 15 0.760 -13.129 -4.421 1.00 1.30 N ATOM 1139 CZ ARG B 15 -0.016 -14.205 -4.606 1.00 1.93 C ATOM 1140 NH1 ARG B 15 -1.291 -14.180 -4.233 1.00 1.94 N ATOM 1141 NH2 ARG B 15 0.483 -15.304 -5.162 1.00 2.91 N ATOM 0 H ARG B 15 3.691 -9.518 -4.245 1.00 0.11 H new ATOM 0 HA ARG B 15 1.593 -8.172 -2.906 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.721 -10.975 -2.508 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.167 -10.413 -1.926 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.728 -9.866 -4.475 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.029 -11.009 -4.747 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.103 -12.013 -2.776 1.00 0.29 H new ATOM 0 HD3 ARG B 15 -0.678 -11.613 -4.292 1.00 0.29 H new ATOM 0 HE ARG B 15 1.740 -13.188 -4.699 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -1.681 -13.340 -3.805 1.00 1.94 H new ATOM 0 HH12 ARG B 15 -1.880 -15.001 -4.375 1.00 1.94 H new ATOM 0 HH21 ARG B 15 1.461 -15.331 -5.450 1.00 2.91 H new ATOM 0 HH22 ARG B 15 -0.112 -16.121 -5.301 1.00 2.91 H new ATOM 1155 N ILE B 16 2.396 -7.678 -0.592 1.00 0.09 N ATOM 1156 CA ILE B 16 2.850 -7.372 0.759 1.00 0.09 C ATOM 1157 C ILE B 16 1.653 -7.411 1.700 1.00 0.09 C ATOM 1158 O ILE B 16 0.510 -7.527 1.256 1.00 0.11 O ATOM 1159 CB ILE B 16 3.576 -5.997 0.860 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.612 -4.885 1.269 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.262 -5.646 -0.455 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.213 -3.496 1.194 1.00 0.14 C ATOM 0 H ILE B 16 1.563 -7.166 -0.884 1.00 0.09 H new ATOM 0 HA ILE B 16 3.585 -8.125 1.043 1.00 0.09 H new ATOM 0 HB ILE B 16 4.337 -6.086 1.636 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.732 -4.925 0.627 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.271 -5.069 2.288 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.762 -4.682 -0.359 1.00 0.16 H new ATOM 0 HG22 ILE B 16 4.997 -6.413 -0.698 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.518 -5.592 -1.250 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.469 -2.761 1.499 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.075 -3.436 1.858 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.528 -3.291 0.171 1.00 0.14 H new ATOM 1174 N VAL B 17 1.906 -7.310 2.986 1.00 0.09 N ATOM 1175 CA VAL B 17 0.846 -7.426 3.967 1.00 0.10 C ATOM 1176 C VAL B 17 0.480 -6.059 4.533 1.00 0.11 C ATOM 1177 O VAL B 17 1.186 -5.506 5.372 1.00 0.16 O ATOM 1178 CB VAL B 17 1.228 -8.416 5.099 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.632 -8.142 5.622 1.00 0.18 C ATOM 1180 CG2 VAL B 17 0.205 -8.368 6.230 1.00 0.19 C ATOM 0 H VAL B 17 2.834 -7.148 3.378 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.032 -7.829 3.462 1.00 0.10 H new ATOM 0 HB VAL B 17 1.222 -9.422 4.679 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.870 -8.852 6.414 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.350 -8.250 4.809 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.681 -7.127 6.017 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.494 -9.070 7.012 1.00 0.19 H new ATOM 0 HG22 VAL B 17 0.167 -7.360 6.643 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -0.778 -8.639 5.844 1.00 0.19 H new ATOM 1190 N MET B 18 -0.617 -5.501 4.049 1.00 0.10 N ATOM 1191 CA MET B 18 -1.075 -4.215 4.552 1.00 0.11 C ATOM 1192 C MET B 18 -1.707 -4.414 5.920 1.00 0.10 C ATOM 1193 O MET B 18 -2.230 -5.490 6.216 1.00 0.15 O ATOM 1194 CB MET B 18 -2.066 -3.548 3.594 1.00 0.18 C ATOM 1195 CG MET B 18 -1.519 -3.344 2.187 1.00 0.29 C ATOM 1196 SD MET B 18 0.120 -2.588 2.166 1.00 0.94 S ATOM 1197 CE MET B 18 -0.221 -0.952 2.799 1.00 0.54 C ATOM 0 H MET B 18 -1.200 -5.910 3.319 1.00 0.10 H new ATOM 0 HA MET B 18 -0.216 -3.550 4.634 1.00 0.11 H new ATOM 0 HB2 MET B 18 -2.969 -4.157 3.538 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.358 -2.581 4.004 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.475 -4.307 1.678 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.209 -2.717 1.623 1.00 0.29 H new ATOM 0 HE1 MET B 18 0.587 -0.277 2.517 1.00 0.54 H new ATOM 0 HE2 MET B 18 -1.160 -0.589 2.381 1.00 0.54 H new ATOM 0 HE3 MET B 18 -0.299 -0.991 3.886 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.666 -3.398 6.782 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.086 -3.552 8.153 1.00 0.13 C ATOM 1209 C PRO B 19 -3.590 -3.417 8.341 1.00 0.13 C ATOM 1210 O PRO B 19 -4.298 -2.803 7.527 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.344 -2.435 8.887 1.00 0.15 C ATOM 1212 CG PRO B 19 -0.974 -1.424 7.849 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.224 -2.030 6.487 1.00 0.19 C ATOM 0 HA PRO B 19 -1.858 -4.550 8.527 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -1.975 -1.989 9.656 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.456 -2.821 9.387 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -1.564 -0.517 7.975 1.00 0.19 H new ATOM 0 HG3 PRO B 19 0.073 -1.140 7.952 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -1.984 -1.475 5.937 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.321 -2.025 5.876 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.078 -4.000 9.422 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.457 -3.818 9.829 1.00 0.16 C ATOM 1223 C ILE B 20 -5.763 -2.332 9.976 1.00 0.16 C ATOM 1224 O ILE B 20 -6.874 -1.892 9.719 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.758 -4.550 11.154 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.146 -4.174 11.682 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.682 -4.250 12.186 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.280 -4.646 10.800 1.00 0.22 C ATOM 0 H ILE B 20 -3.534 -4.607 10.036 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.094 -4.248 9.056 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.754 -5.623 10.961 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.273 -4.597 12.679 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.205 -3.090 11.785 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -4.911 -4.775 13.114 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.715 -4.583 11.810 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.648 -3.177 12.375 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.231 -4.343 11.238 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.179 -4.203 9.809 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.248 -5.732 10.717 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.751 -1.559 10.346 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.893 -0.116 10.488 1.00 0.16 C ATOM 1242 C GLU B 21 -5.247 0.524 9.148 1.00 0.16 C ATOM 1243 O GLU B 21 -5.883 1.568 9.105 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.597 0.476 11.034 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.130 -0.200 12.312 1.00 0.23 C ATOM 1246 CD GLU B 21 -4.090 -0.002 13.467 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -3.979 1.025 14.171 1.00 1.07 O ATOM 1248 OE2 GLU B 21 -4.958 -0.877 13.677 1.00 1.06 O ATOM 0 H GLU B 21 -3.816 -1.910 10.555 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.703 0.092 11.187 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -2.817 0.390 10.277 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.741 1.540 11.223 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -3.005 -1.267 12.128 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.151 0.192 12.588 1.00 0.23 H new ATOM 1255 N LEU B 22 -4.852 -0.128 8.058 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.214 0.322 6.723 1.00 0.15 C ATOM 1257 C LEU B 22 -6.656 -0.049 6.455 1.00 0.15 C ATOM 1258 O LEU B 22 -7.428 0.726 5.891 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.284 -0.305 5.668 1.00 0.15 C ATOM 1260 CG LEU B 22 -4.930 -0.620 4.311 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -3.965 -0.318 3.176 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.357 -2.084 4.249 1.00 0.18 C ATOM 0 H LEU B 22 -4.279 -0.972 8.076 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.101 1.404 6.661 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.446 0.372 5.502 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -3.872 -1.228 6.076 1.00 0.15 H new ATOM 0 HG LEU B 22 -5.812 0.011 4.201 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.441 -0.548 2.223 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -3.693 0.737 3.201 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.068 -0.927 3.289 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -5.813 -2.289 3.280 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.484 -2.723 4.382 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.079 -2.286 5.040 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.012 -1.245 6.891 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.385 -1.719 6.770 1.00 0.15 C ATOM 1276 C ARG B 23 -9.324 -0.874 7.623 1.00 0.19 C ATOM 1277 O ARG B 23 -10.500 -0.703 7.295 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.486 -3.194 7.170 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.636 -4.116 6.312 1.00 0.16 C ATOM 1280 CD ARG B 23 -7.976 -5.582 6.548 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.355 -6.122 7.756 1.00 0.64 N ATOM 1282 CZ ARG B 23 -7.835 -7.171 8.434 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -8.986 -7.731 8.076 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -7.167 -7.651 9.477 1.00 1.30 N ATOM 0 H ARG B 23 -6.373 -1.907 7.332 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.685 -1.623 5.727 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.185 -3.301 8.212 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.528 -3.509 7.105 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -7.785 -3.873 5.260 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.582 -3.948 6.532 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -9.058 -5.692 6.622 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.654 -6.168 5.687 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.507 -5.673 8.102 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -9.508 -7.361 7.281 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -9.348 -8.530 8.596 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -6.287 -7.220 9.762 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -7.534 -8.451 9.993 1.00 1.30 H new ATOM 1298 N ARG B 24 -8.780 -0.338 8.703 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.526 0.509 9.623 1.00 0.20 C ATOM 1300 C ARG B 24 -9.553 1.935 9.103 1.00 0.22 C ATOM 1301 O ARG B 24 -10.499 2.687 9.340 1.00 0.26 O ATOM 1302 CB ARG B 24 -8.872 0.484 11.006 1.00 0.22 C ATOM 1303 CG ARG B 24 -8.938 -0.867 11.698 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.130 -0.872 12.989 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.758 -0.071 14.039 1.00 0.41 N ATOM 1306 CZ ARG B 24 -8.128 0.359 15.134 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.823 0.176 15.281 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.803 0.995 16.081 1.00 0.87 N ATOM 0 H ARG B 24 -7.805 -0.478 8.969 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.546 0.132 9.701 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -7.827 0.779 10.908 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.356 1.228 11.639 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -9.977 -1.115 11.917 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.560 -1.639 11.028 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.013 -1.898 13.338 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.130 -0.487 12.791 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.742 0.175 13.927 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.289 -0.298 14.552 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.353 0.509 16.123 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.804 1.156 15.973 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -8.321 1.323 16.918 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.493 2.290 8.396 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.327 3.623 7.849 1.00 0.22 C ATOM 1324 C ALA B 25 -9.322 3.880 6.743 1.00 0.26 C ATOM 1325 O ALA B 25 -10.080 4.848 6.769 1.00 0.28 O ATOM 1326 CB ALA B 25 -6.928 3.750 7.276 1.00 0.23 C ATOM 0 H ALA B 25 -7.721 1.658 8.185 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.489 4.347 8.647 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -6.794 4.749 6.862 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.195 3.582 8.065 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -6.789 3.009 6.488 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.329 2.978 5.788 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.135 3.137 4.604 1.00 0.37 C ATOM 1334 C LEU B 26 -11.547 2.631 4.848 1.00 0.41 C ATOM 1335 O LEU B 26 -12.449 3.407 5.173 1.00 0.57 O ATOM 1336 CB LEU B 26 -9.501 2.383 3.436 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.107 2.853 3.018 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -7.442 1.816 2.124 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -8.196 4.183 2.289 1.00 0.52 C ATOM 0 H LEU B 26 -8.779 2.119 5.811 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.186 4.198 4.357 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.444 1.327 3.698 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.164 2.462 2.574 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.503 2.981 3.917 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -6.451 2.166 1.836 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.351 0.874 2.665 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.047 1.664 1.230 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -7.197 4.506 1.997 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -8.815 4.069 1.399 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -8.641 4.930 2.947 1.00 0.52 H new ATOM 1351 N ASP B 27 -11.693 1.317 4.739 1.00 0.34 N ATOM 1352 CA ASP B 27 -12.979 0.638 4.802 1.00 0.42 C ATOM 1353 C ASP B 27 -12.790 -0.764 4.248 1.00 0.41 C ATOM 1354 O ASP B 27 -13.338 -1.113 3.212 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.050 1.387 3.991 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.407 0.706 4.006 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -15.842 0.253 5.082 1.00 1.54 O ATOM 1358 OD2 ASP B 27 -16.048 0.635 2.931 1.00 1.34 O ATOM 0 H ASP B 27 -10.906 0.682 4.602 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.323 0.604 5.836 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -14.155 2.397 4.388 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -13.712 1.483 2.959 1.00 0.61 H new ATOM 1363 N ILE B 28 -11.916 -1.528 4.883 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.624 -2.883 4.427 1.00 0.18 C ATOM 1365 C ILE B 28 -12.034 -3.878 5.491 1.00 0.23 C ATOM 1366 O ILE B 28 -11.719 -3.707 6.671 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.125 -3.115 4.072 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.670 -2.274 2.869 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -9.886 -4.587 3.772 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -9.801 -0.800 3.075 1.00 0.17 C ATOM 0 H ILE B 28 -11.397 -1.238 5.712 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.196 -3.025 3.510 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.540 -2.803 4.937 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.629 -2.509 2.647 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.255 -2.562 1.995 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -8.836 -4.742 3.525 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.144 -5.183 4.647 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.506 -4.892 2.929 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.460 -0.276 2.182 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -10.845 -0.551 3.266 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.194 -0.496 3.928 1.00 0.17 H new ATOM 1382 N ALA B 29 -12.731 -4.912 5.070 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.238 -5.899 5.992 1.00 0.28 C ATOM 1384 C ALA B 29 -12.434 -7.186 5.911 1.00 0.30 C ATOM 1385 O ALA B 29 -11.909 -7.668 6.916 1.00 0.41 O ATOM 1386 CB ALA B 29 -14.708 -6.138 5.711 1.00 0.29 C ATOM 0 H ALA B 29 -12.959 -5.089 4.092 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.134 -5.527 7.011 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.095 -6.883 6.406 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.259 -5.206 5.836 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -14.829 -6.497 4.689 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.321 -7.727 4.712 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.569 -8.959 4.503 1.00 0.27 C ATOM 1394 C ILE B 30 -10.856 -8.907 3.155 1.00 0.24 C ATOM 1395 O ILE B 30 -9.757 -9.426 3.004 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.499 -10.202 4.617 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.699 -11.517 4.650 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.528 -10.220 3.492 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.365 -12.095 3.290 1.00 0.34 C ATOM 0 H ILE B 30 -12.738 -7.337 3.867 1.00 0.26 H new ATOM 0 HA ILE B 30 -10.814 -9.053 5.283 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.030 -10.121 5.565 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -10.770 -11.347 5.194 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.267 -12.257 5.213 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.165 -11.099 3.595 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.140 -9.320 3.545 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.015 -10.254 2.531 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -10.801 -13.019 3.416 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.287 -12.303 2.747 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -10.766 -11.379 2.727 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.484 -8.249 2.191 1.00 0.21 N ATOM 1412 CA LYS B 31 -10.884 -8.021 0.886 1.00 0.19 C ATOM 1413 C LYS B 31 -11.076 -6.564 0.491 1.00 0.16 C ATOM 1414 O LYS B 31 -10.119 -5.853 0.188 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.513 -8.928 -0.182 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.456 -10.411 0.151 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.358 -11.264 -1.104 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.086 -10.953 -1.878 1.00 0.47 C ATOM 1419 NZ LYS B 31 -9.897 -11.842 -3.054 1.00 1.38 N ATOM 0 H LYS B 31 -12.421 -7.859 2.292 1.00 0.21 H new ATOM 0 HA LYS B 31 -9.822 -8.256 0.951 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.554 -8.638 -0.322 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.005 -8.760 -1.131 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.597 -10.607 0.793 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.346 -10.692 0.714 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -11.374 -12.320 -0.832 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.226 -11.085 -1.738 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.114 -9.916 -2.213 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -9.228 -11.050 -1.213 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -9.016 -11.586 -3.544 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -9.842 -12.831 -2.736 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -10.700 -11.732 -3.705 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.331 -6.133 0.561 1.00 0.16 N ATOM 1434 CA ASP B 32 -12.760 -4.796 0.156 1.00 0.15 C ATOM 1435 C ASP B 32 -12.021 -4.246 -1.065 1.00 0.15 C ATOM 1436 O ASP B 32 -12.119 -4.819 -2.146 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.707 -3.841 1.340 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.074 -3.726 1.966 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -14.907 -2.956 1.452 1.00 1.05 O ATOM 1440 OD2 ASP B 32 -14.328 -4.440 2.950 1.00 1.17 O ATOM 0 H ASP B 32 -13.095 -6.714 0.907 1.00 0.16 H new ATOM 0 HA ASP B 32 -13.796 -4.888 -0.172 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -11.989 -4.201 2.077 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.363 -2.860 1.012 1.00 0.15 H new ATOM 1445 N SER B 33 -11.302 -3.132 -0.914 1.00 0.14 N ATOM 1446 CA SER B 33 -10.688 -2.462 -2.068 1.00 0.14 C ATOM 1447 C SER B 33 -9.562 -1.515 -1.648 1.00 0.13 C ATOM 1448 O SER B 33 -9.717 -0.755 -0.692 1.00 0.15 O ATOM 1449 CB SER B 33 -11.739 -1.632 -2.806 1.00 0.18 C ATOM 1450 OG SER B 33 -12.913 -2.376 -3.077 1.00 0.24 O ATOM 0 H SER B 33 -11.130 -2.677 -0.017 1.00 0.14 H new ATOM 0 HA SER B 33 -10.279 -3.244 -2.708 1.00 0.14 H new ATOM 0 HB2 SER B 33 -11.995 -0.757 -2.208 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.319 -1.266 -3.743 1.00 0.18 H new ATOM 0 HG SER B 33 -13.559 -1.808 -3.548 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.438 -1.554 -2.370 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.370 -0.571 -2.189 1.00 0.13 C ATOM 1458 C ILE B 34 -6.718 -0.242 -3.534 1.00 0.13 C ATOM 1459 O ILE B 34 -5.952 -1.036 -4.064 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.247 -1.036 -1.228 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -6.796 -1.629 0.070 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.337 0.132 -0.908 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.038 -3.115 -0.008 1.00 0.18 C ATOM 0 H ILE B 34 -8.246 -2.256 -3.085 1.00 0.13 H new ATOM 0 HA ILE B 34 -7.854 0.301 -1.749 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.690 -1.824 -1.735 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.095 -1.424 0.880 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.731 -1.129 0.323 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.548 -0.196 -0.232 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -4.892 0.510 -1.829 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -5.915 0.924 -0.433 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.427 -3.471 0.946 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -7.761 -3.325 -0.796 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.101 -3.625 -0.231 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.036 0.920 -4.079 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.475 1.372 -5.349 1.00 0.14 C ATOM 1477 C GLU B 35 -5.287 2.289 -5.090 1.00 0.15 C ATOM 1478 O GLU B 35 -5.321 3.091 -4.154 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.553 2.109 -6.146 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.107 2.581 -7.516 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.195 3.345 -8.240 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -8.530 4.464 -7.804 1.00 1.12 O ATOM 1483 OE2 GLU B 35 -8.718 2.832 -9.244 1.00 1.33 O ATOM 0 H GLU B 35 -7.690 1.579 -3.657 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.132 0.512 -5.925 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.414 1.451 -6.264 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -7.888 2.971 -5.569 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.228 3.216 -7.411 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.809 1.721 -8.115 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.232 2.179 -5.897 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.029 2.979 -5.626 1.00 0.17 C ATOM 1492 C PHE B 36 -2.671 3.963 -6.742 1.00 0.22 C ATOM 1493 O PHE B 36 -3.044 3.803 -7.911 1.00 0.28 O ATOM 1494 CB PHE B 36 -1.804 2.109 -5.311 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.078 0.639 -5.211 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.680 0.111 -4.082 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.717 -0.217 -6.234 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -2.921 -1.241 -3.978 1.00 1.27 C ATOM 1499 CE2 PHE B 36 -1.955 -1.573 -6.134 1.00 1.21 C ATOM 1500 CZ PHE B 36 -2.556 -2.083 -5.004 1.00 0.43 C ATOM 0 H PHE B 36 -4.179 1.570 -6.714 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.295 3.562 -4.744 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.054 2.271 -6.085 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.370 2.447 -4.370 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -2.964 0.767 -3.273 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -1.244 0.179 -7.121 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.395 -1.640 -3.093 1.00 1.27 H new ATOM 0 HE2 PHE B 36 -1.671 -2.233 -6.940 1.00 1.21 H new ATOM 0 HZ PHE B 36 -2.741 -3.144 -4.923 1.00 0.43 H new ATOM 1510 N PHE B 37 -1.914 4.976 -6.336 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.436 6.050 -7.199 1.00 0.30 C ATOM 1512 C PHE B 37 0.023 6.318 -6.865 1.00 0.25 C ATOM 1513 O PHE B 37 0.363 6.474 -5.705 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.282 7.310 -6.937 1.00 0.48 C ATOM 1515 CG PHE B 37 -1.859 8.557 -7.675 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -0.890 9.397 -7.146 1.00 1.24 C ATOM 1517 CD2 PHE B 37 -2.457 8.909 -8.872 1.00 1.67 C ATOM 1518 CE1 PHE B 37 -0.522 10.556 -7.803 1.00 1.64 C ATOM 1519 CE2 PHE B 37 -2.098 10.070 -9.531 1.00 2.10 C ATOM 1520 CZ PHE B 37 -1.127 10.893 -8.996 1.00 1.80 C ATOM 0 H PHE B 37 -1.607 5.076 -5.368 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.524 5.774 -8.250 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.317 7.090 -7.200 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.263 7.520 -5.868 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.417 9.142 -6.209 1.00 1.24 H new ATOM 0 HD2 PHE B 37 -3.215 8.268 -9.297 1.00 1.67 H new ATOM 0 HE1 PHE B 37 0.239 11.197 -7.383 1.00 1.64 H new ATOM 0 HE2 PHE B 37 -2.576 10.333 -10.463 1.00 2.10 H new ATOM 0 HZ PHE B 37 -0.842 11.799 -9.510 1.00 1.80 H new ATOM 1530 N VAL B 38 0.891 6.349 -7.855 1.00 0.24 N ATOM 1531 CA VAL B 38 2.283 6.660 -7.585 1.00 0.19 C ATOM 1532 C VAL B 38 2.516 8.158 -7.743 1.00 0.20 C ATOM 1533 O VAL B 38 2.059 8.774 -8.709 1.00 0.24 O ATOM 1534 CB VAL B 38 3.266 5.860 -8.473 1.00 0.23 C ATOM 1535 CG1 VAL B 38 3.061 6.143 -9.954 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.695 6.163 -8.060 1.00 0.25 C ATOM 0 H VAL B 38 0.667 6.167 -8.833 1.00 0.24 H new ATOM 0 HA VAL B 38 2.486 6.360 -6.557 1.00 0.19 H new ATOM 0 HB VAL B 38 3.065 4.799 -8.323 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.773 5.560 -10.538 1.00 0.30 H new ATOM 0 HG12 VAL B 38 2.046 5.868 -10.240 1.00 0.30 H new ATOM 0 HG13 VAL B 38 3.217 7.204 -10.147 1.00 0.30 H new ATOM 0 HG21 VAL B 38 5.383 5.597 -8.688 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.889 7.229 -8.177 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.840 5.881 -7.017 1.00 0.25 H new ATOM 1546 N ASP B 39 3.205 8.734 -6.772 1.00 0.20 N ATOM 1547 CA ASP B 39 3.436 10.165 -6.729 1.00 0.26 C ATOM 1548 C ASP B 39 4.907 10.419 -6.462 1.00 0.29 C ATOM 1549 O ASP B 39 5.399 10.172 -5.355 1.00 0.29 O ATOM 1550 CB ASP B 39 2.577 10.808 -5.637 1.00 0.31 C ATOM 1551 CG ASP B 39 2.730 12.313 -5.581 1.00 0.42 C ATOM 1552 OD1 ASP B 39 1.971 13.018 -6.272 1.00 1.17 O ATOM 1553 OD2 ASP B 39 3.602 12.798 -4.828 1.00 1.18 O ATOM 0 H ASP B 39 3.619 8.222 -5.993 1.00 0.20 H new ATOM 0 HA ASP B 39 3.158 10.609 -7.685 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.530 10.560 -5.811 1.00 0.31 H new ATOM 0 HB3 ASP B 39 2.848 10.383 -4.670 1.00 0.31 H new ATOM 1558 N GLY B 40 5.609 10.868 -7.486 1.00 0.35 N ATOM 1559 CA GLY B 40 7.042 11.023 -7.388 1.00 0.39 C ATOM 1560 C GLY B 40 7.736 9.682 -7.418 1.00 0.34 C ATOM 1561 O GLY B 40 8.066 9.168 -8.485 1.00 0.42 O ATOM 0 H GLY B 40 5.210 11.129 -8.388 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.401 11.641 -8.211 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.292 11.545 -6.465 1.00 0.39 H new ATOM 1565 N ASP B 41 7.947 9.112 -6.245 1.00 0.28 N ATOM 1566 CA ASP B 41 8.515 7.776 -6.128 1.00 0.28 C ATOM 1567 C ASP B 41 7.640 6.923 -5.222 1.00 0.23 C ATOM 1568 O ASP B 41 7.813 5.713 -5.141 1.00 0.29 O ATOM 1569 CB ASP B 41 9.934 7.833 -5.545 1.00 0.37 C ATOM 1570 CG ASP B 41 10.849 8.789 -6.282 1.00 1.17 C ATOM 1571 OD1 ASP B 41 11.456 8.386 -7.300 1.00 1.91 O ATOM 1572 OD2 ASP B 41 10.976 9.951 -5.837 1.00 1.84 O ATOM 0 H ASP B 41 7.732 9.556 -5.352 1.00 0.28 H new ATOM 0 HA ASP B 41 8.561 7.337 -7.125 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.877 8.131 -4.498 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.369 6.834 -5.569 1.00 0.37 H new ATOM 1577 N LYS B 42 6.672 7.562 -4.575 1.00 0.20 N ATOM 1578 CA LYS B 42 5.922 6.933 -3.496 1.00 0.21 C ATOM 1579 C LYS B 42 4.565 6.449 -3.991 1.00 0.16 C ATOM 1580 O LYS B 42 4.138 6.795 -5.087 1.00 0.14 O ATOM 1581 CB LYS B 42 5.738 7.916 -2.341 1.00 0.27 C ATOM 1582 CG LYS B 42 4.376 8.586 -2.329 1.00 0.33 C ATOM 1583 CD LYS B 42 4.296 9.654 -1.262 1.00 0.36 C ATOM 1584 CE LYS B 42 5.174 10.834 -1.624 1.00 0.63 C ATOM 1585 NZ LYS B 42 4.468 11.819 -2.482 1.00 0.78 N ATOM 0 H LYS B 42 6.388 8.520 -4.781 1.00 0.20 H new ATOM 0 HA LYS B 42 6.487 6.070 -3.143 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.883 7.388 -1.398 1.00 0.27 H new ATOM 0 HB3 LYS B 42 6.511 8.682 -2.400 1.00 0.27 H new ATOM 0 HG2 LYS B 42 4.178 9.029 -3.305 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.602 7.838 -2.156 1.00 0.33 H new ATOM 0 HD2 LYS B 42 3.264 9.984 -1.146 1.00 0.36 H new ATOM 0 HD3 LYS B 42 4.609 9.242 -0.303 1.00 0.36 H new ATOM 0 HE2 LYS B 42 5.512 11.326 -0.712 1.00 0.63 H new ATOM 0 HE3 LYS B 42 6.064 10.477 -2.142 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 4.934 12.745 -2.402 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 4.497 11.501 -3.472 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 3.478 11.902 -2.174 1.00 0.78 H new ATOM 1599 N ILE B 43 3.887 5.667 -3.169 1.00 0.17 N ATOM 1600 CA ILE B 43 2.621 5.069 -3.562 1.00 0.16 C ATOM 1601 C ILE B 43 1.496 5.544 -2.640 1.00 0.18 C ATOM 1602 O ILE B 43 1.700 5.721 -1.441 1.00 0.21 O ATOM 1603 CB ILE B 43 2.705 3.526 -3.537 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.854 3.038 -4.428 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.389 2.911 -3.988 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.602 3.217 -5.914 1.00 0.22 C ATOM 0 H ILE B 43 4.191 5.431 -2.225 1.00 0.17 H new ATOM 0 HA ILE B 43 2.403 5.386 -4.582 1.00 0.16 H new ATOM 0 HB ILE B 43 2.900 3.210 -2.512 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.763 3.574 -4.157 1.00 0.18 H new ATOM 0 HG13 ILE B 43 4.034 1.982 -4.225 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.468 1.824 -3.964 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.590 3.232 -3.320 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.165 3.236 -5.004 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.460 2.848 -6.476 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.712 2.657 -6.202 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.452 4.274 -6.133 1.00 0.22 H new ATOM 1618 N ILE B 44 0.320 5.753 -3.209 1.00 0.16 N ATOM 1619 CA ILE B 44 -0.824 6.274 -2.472 1.00 0.19 C ATOM 1620 C ILE B 44 -1.970 5.276 -2.512 1.00 0.20 C ATOM 1621 O ILE B 44 -2.392 4.871 -3.586 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.314 7.601 -3.084 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.136 8.557 -3.269 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.396 8.225 -2.213 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.529 9.933 -3.760 1.00 0.25 C ATOM 0 H ILE B 44 0.130 5.567 -4.194 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.507 6.444 -1.443 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.750 7.400 -4.062 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.389 8.658 -2.319 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.567 8.118 -3.976 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.729 9.161 -2.661 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.240 7.540 -2.134 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -1.994 8.422 -1.219 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.363 10.550 -3.865 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -1.026 9.846 -4.726 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.207 10.395 -3.043 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.470 4.885 -1.350 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.524 3.881 -1.276 1.00 0.19 C ATOM 1639 C LEU B 45 -4.855 4.493 -0.851 1.00 0.20 C ATOM 1640 O LEU B 45 -4.924 5.255 0.115 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.129 2.756 -0.317 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.296 1.628 -0.938 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -0.986 2.151 -1.498 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.032 0.533 0.084 1.00 0.24 C ATOM 0 H LEU B 45 -2.165 5.246 -0.446 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.651 3.466 -2.276 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.566 3.187 0.511 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.037 2.325 0.105 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.871 1.208 -1.763 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.420 1.326 -1.931 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.191 2.894 -2.269 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.405 2.609 -0.697 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.440 -0.258 -0.375 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.487 0.950 0.931 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -2.980 0.122 0.430 1.00 0.24 H new ATOM 1656 N LYS B 46 -5.904 4.146 -1.589 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.249 4.667 -1.357 1.00 0.24 C ATOM 1658 C LYS B 46 -8.289 3.570 -1.591 1.00 0.20 C ATOM 1659 O LYS B 46 -8.112 2.724 -2.457 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.507 5.832 -2.320 1.00 0.38 C ATOM 1661 CG LYS B 46 -8.952 6.304 -2.350 1.00 0.99 C ATOM 1662 CD LYS B 46 -9.341 6.810 -3.732 1.00 1.11 C ATOM 1663 CE LYS B 46 -9.095 5.746 -4.795 1.00 1.14 C ATOM 1664 NZ LYS B 46 -9.580 6.162 -6.135 1.00 1.85 N ATOM 0 H LYS B 46 -5.846 3.492 -2.370 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.329 5.012 -0.326 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -6.868 6.669 -2.040 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -7.214 5.530 -3.325 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -9.610 5.484 -2.062 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -9.092 7.098 -1.617 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -10.393 7.095 -3.735 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -8.767 7.706 -3.970 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -8.028 5.530 -4.849 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -9.593 4.822 -4.502 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -9.015 5.692 -6.870 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -10.579 5.893 -6.241 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -9.487 7.193 -6.233 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.371 3.579 -0.826 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.454 2.624 -1.045 1.00 0.22 C ATOM 1680 C LYS B 47 -11.336 3.124 -2.192 1.00 0.25 C ATOM 1681 O LYS B 47 -11.624 4.311 -2.289 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.268 2.417 0.243 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.036 1.093 0.308 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.336 1.137 -0.475 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.107 -0.172 -0.372 1.00 0.51 C ATOM 1686 NZ LYS B 47 -14.583 -0.442 1.008 1.00 0.43 N ATOM 0 H LYS B 47 -9.524 4.229 -0.055 1.00 0.22 H new ATOM 0 HA LYS B 47 -10.037 1.655 -1.318 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -10.592 2.472 1.097 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -11.977 3.238 0.345 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.407 0.292 -0.082 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -12.250 0.852 1.349 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -13.956 1.953 -0.104 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.122 1.350 -1.522 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -14.961 -0.141 -1.048 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.469 -0.993 -0.700 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.130 -1.326 1.020 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -13.766 -0.532 1.646 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.186 0.343 1.327 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.750 2.203 -3.052 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.443 2.541 -4.299 1.00 0.23 C ATOM 1702 C TYR B 48 -13.765 3.280 -4.063 1.00 0.25 C ATOM 1703 O TYR B 48 -14.025 4.315 -4.680 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.707 1.255 -5.080 1.00 0.27 C ATOM 1705 CG TYR B 48 -13.087 1.476 -6.525 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -12.119 1.779 -7.476 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -14.407 1.379 -6.938 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -12.460 1.982 -8.798 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -14.755 1.580 -8.259 1.00 1.03 C ATOM 1710 CZ TYR B 48 -13.780 1.880 -9.185 1.00 0.59 C ATOM 1711 OH TYR B 48 -14.128 2.081 -10.500 1.00 0.74 O ATOM 0 H TYR B 48 -11.618 1.202 -2.910 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.800 3.216 -4.863 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.815 0.630 -5.042 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.505 0.701 -4.587 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.085 1.857 -7.176 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -15.174 1.143 -6.216 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -11.698 2.219 -9.525 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -15.788 1.502 -8.565 1.00 1.03 H new ATOM 0 HH TYR B 48 -15.096 1.971 -10.603 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.604 2.708 -3.204 1.00 0.32 N ATOM 1722 CA LYS B 49 -15.938 3.250 -2.914 1.00 0.46 C ATOM 1723 C LYS B 49 -15.926 4.733 -2.490 1.00 0.54 C ATOM 1724 O LYS B 49 -16.532 5.558 -3.173 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.646 2.397 -1.852 1.00 0.61 C ATOM 1726 CG LYS B 49 -17.495 1.264 -2.415 1.00 0.97 C ATOM 1727 CD LYS B 49 -16.710 0.359 -3.348 1.00 2.15 C ATOM 1728 CE LYS B 49 -17.561 -0.803 -3.834 1.00 2.61 C ATOM 1729 NZ LYS B 49 -18.861 -0.349 -4.403 1.00 2.92 N ATOM 0 H LYS B 49 -14.383 1.857 -2.687 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.492 3.205 -3.851 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -15.895 1.974 -1.184 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -17.281 3.045 -1.248 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -17.897 0.672 -1.593 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.346 1.684 -2.952 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -16.354 0.935 -4.203 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -15.829 -0.023 -2.832 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -17.011 -1.363 -4.590 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -17.748 -1.486 -3.005 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -19.317 -1.140 -4.902 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -19.481 -0.021 -3.635 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -18.694 0.431 -5.070 1.00 2.92 H new ATOM 1743 N PRO B 50 -15.268 5.108 -1.367 1.00 0.60 N ATOM 1744 CA PRO B 50 -15.253 6.503 -0.910 1.00 0.82 C ATOM 1745 C PRO B 50 -14.530 7.409 -1.899 1.00 0.82 C ATOM 1746 O PRO B 50 -13.310 7.322 -2.056 1.00 1.57 O ATOM 1747 CB PRO B 50 -14.492 6.459 0.420 1.00 1.06 C ATOM 1748 CG PRO B 50 -14.482 5.024 0.815 1.00 0.89 C ATOM 1749 CD PRO B 50 -14.491 4.246 -0.468 1.00 0.53 C ATOM 0 HA PRO B 50 -16.261 6.906 -0.813 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -13.478 6.844 0.307 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -14.983 7.072 1.175 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -13.599 4.788 1.409 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -15.351 4.781 1.426 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.482 4.075 -0.844 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -14.956 3.268 -0.344 1.00 0.53 H new ATOM 1757 N HIS B 51 -15.300 8.261 -2.564 1.00 0.97 N ATOM 1758 CA HIS B 51 -14.788 9.145 -3.604 1.00 1.13 C ATOM 1759 C HIS B 51 -14.312 8.323 -4.800 1.00 1.69 C ATOM 1760 O HIS B 51 -13.118 8.063 -4.968 1.00 2.46 O ATOM 1761 CB HIS B 51 -13.671 10.057 -3.073 1.00 2.12 C ATOM 1762 CG HIS B 51 -13.467 11.301 -3.885 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -12.573 12.287 -3.535 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -14.056 11.723 -5.029 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -12.622 13.261 -4.424 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -13.515 12.944 -5.341 1.00 4.55 N ATOM 0 H HIS B 51 -16.301 8.359 -2.397 1.00 0.97 H new ATOM 0 HA HIS B 51 -15.600 9.796 -3.930 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -13.903 10.339 -2.046 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -12.738 9.495 -3.046 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -14.812 11.196 -5.592 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -12.031 14.165 -4.404 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -13.763 13.514 -6.150 1.00 4.55 H new ATOM 1775 N GLY B 52 -15.269 7.910 -5.620 1.00 2.10 N ATOM 1776 CA GLY B 52 -14.976 7.027 -6.729 1.00 3.10 C ATOM 1777 C GLY B 52 -14.406 7.755 -7.922 1.00 2.89 C ATOM 1778 O GLY B 52 -15.125 8.090 -8.863 1.00 3.12 O ATOM 0 H GLY B 52 -16.251 8.174 -5.535 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -14.269 6.264 -6.403 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -15.888 6.510 -7.027 1.00 3.10 H new ATOM 1782 N VAL B 53 -13.110 7.993 -7.885 1.00 2.81 N ATOM 1783 CA VAL B 53 -12.425 8.646 -8.986 1.00 2.74 C ATOM 1784 C VAL B 53 -10.957 8.230 -9.027 1.00 2.07 C ATOM 1785 O VAL B 53 -10.319 8.051 -7.987 1.00 1.96 O ATOM 1786 CB VAL B 53 -12.530 10.188 -8.899 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -11.827 10.719 -7.658 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -11.978 10.837 -10.162 1.00 3.62 C ATOM 0 H VAL B 53 -12.507 7.743 -7.101 1.00 2.81 H new ATOM 0 HA VAL B 53 -12.917 8.327 -9.905 1.00 2.74 H new ATOM 0 HB VAL B 53 -13.585 10.450 -8.816 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -11.918 11.805 -7.625 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -12.286 10.289 -6.768 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -10.773 10.444 -7.691 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -12.061 11.921 -10.080 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -10.930 10.562 -10.285 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -12.547 10.494 -11.026 1.00 3.62 H new ATOM 1798 N CYS B 54 -10.442 8.060 -10.230 1.00 1.96 N ATOM 1799 CA CYS B 54 -9.052 7.699 -10.424 1.00 1.58 C ATOM 1800 C CYS B 54 -8.306 8.876 -11.038 1.00 2.13 C ATOM 1801 O CYS B 54 -7.626 9.602 -10.292 1.00 2.76 O ATOM 1802 CB CYS B 54 -8.943 6.471 -11.330 1.00 1.96 C ATOM 1803 SG CYS B 54 -9.959 5.070 -10.804 1.00 2.82 S ATOM 1804 OXT CYS B 54 -8.433 9.085 -12.262 1.00 2.59 O ATOM 0 H CYS B 54 -10.972 8.168 -11.095 1.00 1.96 H new ATOM 0 HA CYS B 54 -8.607 7.453 -9.460 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -9.230 6.754 -12.343 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -7.901 6.155 -11.371 1.00 1.96 H new ATOM 0 HG CYS B 54 -9.189 4.089 -10.437 1.00 2.82 H new TER 1810 CYS B 54