USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 SER OG : rot 180:sc= 0.921 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= -0.671! USER MOD Set 2.1: A 1 GLY N :NH3+ -166:sc=-0.00297 (180deg=-0.185) USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= -5.91! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.19 USER MOD Single : A 12 CYS SG : rot -140:sc= -5.67! USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= 0.0701 (180deg=0) USER MOD Single : A 15 TYR OH : rot 101:sc= -7.23! USER MOD Single : A 16 CYS SG : rot -53:sc= -1.22 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 88:sc= 1.01 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -130:sc= -12.6! (180deg=-22.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -3.61! C(o=-3.6!,f=-4.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -104:sc= 0.0981 USER MOD Single : A 43 SER OG : rot -88:sc= -4.93! USER MOD Single : A 47 SER OG : rot 180:sc= -0.598 USER MOD Single : A 50 SER OG : rot 105:sc= -3.42! USER MOD Single : A 55 THR OG1 : rot -96:sc= -8.95! USER MOD Single : A 59 SER OG : rot 180:sc= -0.0031 USER MOD Single : A 60 GLN : amide:sc= -2.95! C(o=-3!,f=-5.5!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -1.02! (180deg=-2.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.504 -9.741 12.163 1.00 0.00 N ATOM 2 CA GLY A 1 8.330 -8.948 11.268 1.00 0.00 C ATOM 3 C GLY A 1 8.201 -7.455 11.581 1.00 0.00 C ATOM 4 O GLY A 1 9.187 -6.722 11.543 1.00 0.00 O ATOM 0 H1 GLY A 1 7.781 -10.741 12.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.634 -9.410 13.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.505 -9.640 11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.372 -9.254 11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.035 -9.134 10.235 1.00 0.00 H new ATOM 8 N GLU A 2 6.976 -7.051 11.884 1.00 0.00 N ATOM 9 CA GLU A 2 6.705 -5.659 12.204 1.00 0.00 C ATOM 10 C GLU A 2 6.910 -4.781 10.967 1.00 0.00 C ATOM 11 O GLU A 2 6.039 -3.988 10.614 1.00 0.00 O ATOM 12 CB GLU A 2 7.580 -5.183 13.365 1.00 0.00 C ATOM 13 CG GLU A 2 7.264 -3.731 13.730 1.00 0.00 C ATOM 14 CD GLU A 2 7.021 -3.584 15.233 1.00 0.00 C ATOM 15 OE1 GLU A 2 7.936 -3.197 15.975 1.00 0.00 O ATOM 16 OE2 GLU A 2 5.829 -3.887 15.625 1.00 0.00 O ATOM 0 H GLU A 2 6.160 -7.663 11.915 1.00 0.00 H new ATOM 0 HA GLU A 2 5.665 -5.574 12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.419 -5.823 14.232 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.632 -5.273 13.093 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.090 -3.088 13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.383 -3.398 13.181 1.00 0.00 H new ATOM 24 N ALA A 3 8.067 -4.953 10.344 1.00 0.00 N ATOM 25 CA ALA A 3 8.397 -4.186 9.155 1.00 0.00 C ATOM 26 C ALA A 3 7.495 -4.628 8.002 1.00 0.00 C ATOM 27 O ALA A 3 6.967 -3.795 7.267 1.00 0.00 O ATOM 28 CB ALA A 3 9.882 -4.358 8.833 1.00 0.00 C ATOM 0 H ALA A 3 8.787 -5.612 10.640 1.00 0.00 H new ATOM 0 HA ALA A 3 8.221 -3.123 9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.130 -3.783 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.480 -4.002 9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.096 -5.412 8.656 1.00 0.00 H new ATOM 34 N VAL A 4 7.345 -5.939 7.878 1.00 0.00 N ATOM 35 CA VAL A 4 6.516 -6.502 6.827 1.00 0.00 C ATOM 36 C VAL A 4 5.220 -5.696 6.718 1.00 0.00 C ATOM 37 O VAL A 4 4.838 -5.270 5.629 1.00 0.00 O ATOM 38 CB VAL A 4 6.274 -7.989 7.090 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.141 -8.856 6.175 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.518 -8.332 8.561 1.00 0.00 C ATOM 0 H VAL A 4 7.784 -6.627 8.489 1.00 0.00 H new ATOM 0 HA VAL A 4 7.023 -6.434 5.865 1.00 0.00 H new ATOM 0 HB VAL A 4 5.229 -8.203 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.949 -9.909 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.899 -8.642 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.193 -8.636 6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.339 -9.395 8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.549 -8.094 8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.840 -7.752 9.187 1.00 0.00 H new ATOM 50 N ILE A 5 4.578 -5.511 7.863 1.00 0.00 N ATOM 51 CA ILE A 5 3.333 -4.764 7.911 1.00 0.00 C ATOM 52 C ILE A 5 3.641 -3.279 8.112 1.00 0.00 C ATOM 53 O ILE A 5 3.100 -2.428 7.409 1.00 0.00 O ATOM 54 CB ILE A 5 2.398 -5.348 8.972 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.577 -6.863 9.087 1.00 0.00 C ATOM 56 CG2 ILE A 5 0.944 -4.962 8.694 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.537 -7.384 8.015 1.00 0.00 C ATOM 0 H ILE A 5 4.897 -5.866 8.764 1.00 0.00 H new ATOM 0 HA ILE A 5 2.799 -4.853 6.965 1.00 0.00 H new ATOM 0 HB ILE A 5 2.666 -4.918 9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.960 -7.114 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.610 -7.356 8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.301 -5.390 9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.848 -3.876 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.646 -5.344 7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.647 -8.463 8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.139 -7.153 7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.510 -6.907 8.135 1.00 0.00 H new ATOM 69 N LYS A 6 4.510 -3.014 9.077 1.00 0.00 N ATOM 70 CA LYS A 6 4.897 -1.647 9.380 1.00 0.00 C ATOM 71 C LYS A 6 5.215 -0.910 8.078 1.00 0.00 C ATOM 72 O LYS A 6 4.955 0.286 7.957 1.00 0.00 O ATOM 73 CB LYS A 6 6.043 -1.627 10.394 1.00 0.00 C ATOM 74 CG LYS A 6 6.552 -0.201 10.618 1.00 0.00 C ATOM 75 CD LYS A 6 6.115 0.328 11.986 1.00 0.00 C ATOM 76 CE LYS A 6 7.305 0.900 12.758 1.00 0.00 C ATOM 77 NZ LYS A 6 7.424 0.249 14.082 1.00 0.00 N ATOM 0 H LYS A 6 4.957 -3.723 9.659 1.00 0.00 H new ATOM 0 HA LYS A 6 4.073 -1.114 9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.704 -2.049 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.859 -2.257 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.640 -0.184 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.172 0.452 9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.356 1.100 11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.656 -0.476 12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.222 0.750 12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.181 1.976 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.237 0.649 14.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.555 0.414 14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.564 -0.774 13.955 1.00 0.00 H new ATOM 90 N VAL A 7 5.773 -1.655 7.135 1.00 0.00 N ATOM 91 CA VAL A 7 6.129 -1.088 5.846 1.00 0.00 C ATOM 92 C VAL A 7 4.853 -0.718 5.086 1.00 0.00 C ATOM 93 O VAL A 7 4.624 0.452 4.784 1.00 0.00 O ATOM 94 CB VAL A 7 7.023 -2.062 5.074 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.217 -2.832 4.026 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.203 -1.331 4.431 1.00 0.00 C ATOM 0 H VAL A 7 5.987 -2.647 7.238 1.00 0.00 H new ATOM 0 HA VAL A 7 6.706 -0.173 5.978 1.00 0.00 H new ATOM 0 HB VAL A 7 7.424 -2.784 5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.875 -3.517 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.427 -3.398 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.774 -2.130 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.822 -2.046 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.830 -0.576 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.799 -0.850 5.206 1.00 0.00 H new ATOM 106 N ILE A 8 4.057 -1.737 4.799 1.00 0.00 N ATOM 107 CA ILE A 8 2.810 -1.534 4.081 1.00 0.00 C ATOM 108 C ILE A 8 2.023 -0.403 4.745 1.00 0.00 C ATOM 109 O ILE A 8 1.425 0.427 4.062 1.00 0.00 O ATOM 110 CB ILE A 8 2.032 -2.847 3.976 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.533 -3.688 2.800 1.00 0.00 C ATOM 112 CG2 ILE A 8 0.526 -2.587 3.894 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.613 -4.886 2.552 1.00 0.00 C ATOM 0 H ILE A 8 4.251 -2.706 5.051 1.00 0.00 H new ATOM 0 HA ILE A 8 3.007 -1.225 3.054 1.00 0.00 H new ATOM 0 HB ILE A 8 2.210 -3.423 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.583 -3.071 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.545 -4.038 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.004 -3.537 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.199 -2.058 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.309 -1.981 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.991 -5.467 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.584 -5.513 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.607 -4.532 2.325 1.00 0.00 H new ATOM 125 N SER A 9 2.047 -0.408 6.070 1.00 0.00 N ATOM 126 CA SER A 9 1.342 0.607 6.835 1.00 0.00 C ATOM 127 C SER A 9 2.008 1.970 6.634 1.00 0.00 C ATOM 128 O SER A 9 1.426 2.866 6.025 1.00 0.00 O ATOM 129 CB SER A 9 1.303 0.249 8.322 1.00 0.00 C ATOM 130 OG SER A 9 1.509 1.389 9.151 1.00 0.00 O ATOM 0 H SER A 9 2.543 -1.099 6.633 1.00 0.00 H new ATOM 0 HA SER A 9 0.315 0.655 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.341 -0.204 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.068 -0.497 8.535 1.00 0.00 H new ATOM 0 HG SER A 9 1.475 1.119 10.093 1.00 0.00 H new ATOM 136 N SER A 10 3.219 2.084 7.159 1.00 0.00 N ATOM 137 CA SER A 10 3.971 3.322 7.046 1.00 0.00 C ATOM 138 C SER A 10 4.213 3.654 5.572 1.00 0.00 C ATOM 139 O SER A 10 3.929 4.766 5.128 1.00 0.00 O ATOM 140 CB SER A 10 5.302 3.229 7.794 1.00 0.00 C ATOM 141 OG SER A 10 5.504 4.339 8.665 1.00 0.00 O ATOM 0 H SER A 10 3.698 1.339 7.664 1.00 0.00 H new ATOM 0 HA SER A 10 3.385 4.121 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.329 2.305 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.119 3.179 7.075 1.00 0.00 H new ATOM 0 HG SER A 10 6.364 4.242 9.125 1.00 0.00 H new ATOM 147 N ALA A 11 4.734 2.670 4.854 1.00 0.00 N ATOM 148 CA ALA A 11 5.017 2.844 3.440 1.00 0.00 C ATOM 149 C ALA A 11 3.780 3.413 2.743 1.00 0.00 C ATOM 150 O ALA A 11 3.860 4.438 2.066 1.00 0.00 O ATOM 151 CB ALA A 11 5.462 1.509 2.840 1.00 0.00 C ATOM 0 H ALA A 11 4.968 1.749 5.225 1.00 0.00 H new ATOM 0 HA ALA A 11 5.832 3.554 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.674 1.640 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.361 1.163 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.668 0.772 2.963 1.00 0.00 H new ATOM 157 N CYS A 12 2.664 2.724 2.932 1.00 0.00 N ATOM 158 CA CYS A 12 1.412 3.148 2.329 1.00 0.00 C ATOM 159 C CYS A 12 1.361 4.677 2.352 1.00 0.00 C ATOM 160 O CYS A 12 1.195 5.312 1.311 1.00 0.00 O ATOM 161 CB CYS A 12 0.205 2.527 3.036 1.00 0.00 C ATOM 162 SG CYS A 12 -1.345 3.227 2.360 1.00 0.00 S ATOM 0 H CYS A 12 2.601 1.875 3.494 1.00 0.00 H new ATOM 0 HA CYS A 12 1.366 2.799 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.213 1.445 2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.263 2.718 4.108 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.192 3.421 3.327 1.00 0.00 H new ATOM 168 N LYS A 13 1.508 5.225 3.549 1.00 0.00 N ATOM 169 CA LYS A 13 1.482 6.668 3.721 1.00 0.00 C ATOM 170 C LYS A 13 2.914 7.206 3.702 1.00 0.00 C ATOM 171 O LYS A 13 3.262 8.025 2.853 1.00 0.00 O ATOM 172 CB LYS A 13 0.700 7.043 4.981 1.00 0.00 C ATOM 173 CG LYS A 13 0.106 8.448 4.860 1.00 0.00 C ATOM 174 CD LYS A 13 -1.057 8.467 3.865 1.00 0.00 C ATOM 175 CE LYS A 13 -1.832 9.783 3.953 1.00 0.00 C ATOM 176 NZ LYS A 13 -1.113 10.857 3.231 1.00 0.00 N ATOM 0 H LYS A 13 1.646 4.696 4.410 1.00 0.00 H new ATOM 0 HA LYS A 13 0.953 7.141 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.099 6.320 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.358 6.996 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.241 8.786 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.878 9.147 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.676 8.332 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.727 7.632 4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.828 9.655 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.965 10.065 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.799 11.544 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.462 11.338 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.573 10.445 2.444 1.00 0.00 H new ATOM 189 N THR A 14 3.706 6.723 4.648 1.00 0.00 N ATOM 190 CA THR A 14 5.092 7.145 4.751 1.00 0.00 C ATOM 191 C THR A 14 5.768 7.096 3.379 1.00 0.00 C ATOM 192 O THR A 14 6.666 7.888 3.097 1.00 0.00 O ATOM 193 CB THR A 14 5.778 6.265 5.797 1.00 0.00 C ATOM 194 OG1 THR A 14 4.820 6.162 6.847 1.00 0.00 O ATOM 195 CG2 THR A 14 6.975 6.957 6.452 1.00 0.00 C ATOM 0 H THR A 14 3.414 6.043 5.350 1.00 0.00 H new ATOM 0 HA THR A 14 5.166 8.182 5.078 1.00 0.00 H new ATOM 0 HB THR A 14 6.107 5.337 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.182 5.603 7.566 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.425 6.288 7.186 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.712 7.208 5.689 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.642 7.869 6.948 1.00 0.00 H new ATOM 203 N TYR A 15 5.309 6.159 2.562 1.00 0.00 N ATOM 204 CA TYR A 15 5.858 5.997 1.226 1.00 0.00 C ATOM 205 C TYR A 15 5.434 7.151 0.316 1.00 0.00 C ATOM 206 O TYR A 15 6.199 8.089 0.099 1.00 0.00 O ATOM 207 CB TYR A 15 5.270 4.693 0.685 1.00 0.00 C ATOM 208 CG TYR A 15 6.202 3.937 -0.265 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.227 4.606 -0.903 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.018 2.587 -0.483 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.104 3.895 -1.796 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.895 1.876 -1.377 1.00 0.00 C ATOM 213 CZ TYR A 15 7.895 2.565 -1.989 1.00 0.00 C ATOM 214 OH TYR A 15 8.724 1.893 -2.833 1.00 0.00 O ATOM 0 H TYR A 15 4.563 5.505 2.799 1.00 0.00 H new ATOM 0 HA TYR A 15 6.947 5.983 1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.019 4.044 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.339 4.915 0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.371 5.663 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.216 2.064 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.910 4.406 -2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.762 0.820 -1.557 1.00 0.00 H new ATOM 0 HH TYR A 15 9.388 1.395 -2.312 1.00 0.00 H new ATOM 224 N CYS A 16 4.215 7.044 -0.193 1.00 0.00 N ATOM 225 CA CYS A 16 3.680 8.066 -1.076 1.00 0.00 C ATOM 226 C CYS A 16 2.608 8.847 -0.312 1.00 0.00 C ATOM 227 O CYS A 16 1.511 9.066 -0.825 1.00 0.00 O ATOM 228 CB CYS A 16 3.133 7.465 -2.372 1.00 0.00 C ATOM 229 SG CYS A 16 2.066 8.683 -3.225 1.00 0.00 S ATOM 0 H CYS A 16 3.583 6.265 -0.010 1.00 0.00 H new ATOM 0 HA CYS A 16 4.478 8.744 -1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.957 7.172 -3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.564 6.562 -2.152 1.00 0.00 H new ATOM 0 HG CYS A 16 1.158 9.116 -2.402 1.00 0.00 H new ATOM 235 N GLY A 17 2.963 9.245 0.901 1.00 0.00 N ATOM 236 CA GLY A 17 2.045 9.996 1.740 1.00 0.00 C ATOM 237 C GLY A 17 2.763 10.566 2.965 1.00 0.00 C ATOM 238 O GLY A 17 2.230 11.434 3.654 1.00 0.00 O ATOM 0 H GLY A 17 3.874 9.062 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.601 10.808 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.228 9.349 2.061 1.00 0.00 H new ATOM 242 N LYS A 18 3.962 10.053 3.199 1.00 0.00 N ATOM 243 CA LYS A 18 4.759 10.500 4.329 1.00 0.00 C ATOM 244 C LYS A 18 3.976 10.269 5.623 1.00 0.00 C ATOM 245 O LYS A 18 2.910 9.654 5.607 1.00 0.00 O ATOM 246 CB LYS A 18 5.204 11.950 4.131 1.00 0.00 C ATOM 247 CG LYS A 18 4.383 12.900 5.005 1.00 0.00 C ATOM 248 CD LYS A 18 4.278 14.285 4.362 1.00 0.00 C ATOM 249 CE LYS A 18 5.144 15.302 5.107 1.00 0.00 C ATOM 250 NZ LYS A 18 5.107 16.614 4.422 1.00 0.00 N ATOM 0 H LYS A 18 4.401 9.332 2.626 1.00 0.00 H new ATOM 0 HA LYS A 18 5.677 9.916 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.261 12.046 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.094 12.228 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.385 12.489 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.845 12.986 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.591 14.230 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.239 14.614 4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.789 15.410 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.172 14.943 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.700 17.293 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.467 16.510 3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.128 16.962 4.392 1.00 0.00 H new ATOM 263 N THR A 19 4.534 10.773 6.714 1.00 0.00 N ATOM 264 CA THR A 19 3.902 10.629 8.014 1.00 0.00 C ATOM 265 C THR A 19 2.541 11.328 8.025 1.00 0.00 C ATOM 266 O THR A 19 1.548 10.755 8.470 1.00 0.00 O ATOM 267 CB THR A 19 4.868 11.164 9.072 1.00 0.00 C ATOM 268 OG1 THR A 19 5.779 10.089 9.286 1.00 0.00 O ATOM 269 CG2 THR A 19 4.197 11.359 10.433 1.00 0.00 C ATOM 0 H THR A 19 5.418 11.282 6.724 1.00 0.00 H new ATOM 0 HA THR A 19 3.697 9.583 8.240 1.00 0.00 H new ATOM 0 HB THR A 19 5.286 12.112 8.734 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.442 10.351 9.958 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.927 11.740 11.147 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.378 12.072 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.808 10.404 10.787 1.00 0.00 H new ATOM 277 N SER A 20 2.539 12.557 7.530 1.00 0.00 N ATOM 278 CA SER A 20 1.316 13.340 7.477 1.00 0.00 C ATOM 279 C SER A 20 0.131 12.438 7.127 1.00 0.00 C ATOM 280 O SER A 20 -0.042 12.055 5.971 1.00 0.00 O ATOM 281 CB SER A 20 1.435 14.479 6.461 1.00 0.00 C ATOM 282 OG SER A 20 0.229 15.231 6.360 1.00 0.00 O ATOM 0 H SER A 20 3.365 13.030 7.162 1.00 0.00 H new ATOM 0 HA SER A 20 1.150 13.781 8.460 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.252 15.140 6.751 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.689 14.068 5.484 1.00 0.00 H new ATOM 0 HG SER A 20 0.345 15.949 5.703 1.00 0.00 H new ATOM 288 N PRO A 21 -0.675 12.117 8.174 1.00 0.00 N ATOM 289 CA PRO A 21 -1.839 11.267 7.988 1.00 0.00 C ATOM 290 C PRO A 21 -2.974 12.033 7.304 1.00 0.00 C ATOM 291 O PRO A 21 -2.833 13.216 6.998 1.00 0.00 O ATOM 292 CB PRO A 21 -2.203 10.788 9.384 1.00 0.00 C ATOM 293 CG PRO A 21 -1.523 11.749 10.345 1.00 0.00 C ATOM 294 CD PRO A 21 -0.501 12.552 9.556 1.00 0.00 C ATOM 0 HA PRO A 21 -1.641 10.421 7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.283 10.791 9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.862 9.766 9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.256 12.411 10.805 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.037 11.201 11.153 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.674 13.623 9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.512 12.358 9.908 1.00 0.00 H new ATOM 302 N SER A 22 -4.073 11.326 7.085 1.00 0.00 N ATOM 303 CA SER A 22 -5.231 11.924 6.443 1.00 0.00 C ATOM 304 C SER A 22 -6.063 10.843 5.750 1.00 0.00 C ATOM 305 O SER A 22 -6.414 10.980 4.579 1.00 0.00 O ATOM 306 CB SER A 22 -4.810 12.996 5.435 1.00 0.00 C ATOM 307 OG SER A 22 -4.740 14.289 6.030 1.00 0.00 O ATOM 0 H SER A 22 -4.186 10.345 7.341 1.00 0.00 H new ATOM 0 HA SER A 22 -5.837 12.403 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.838 12.737 5.015 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.520 13.015 4.608 1.00 0.00 H new ATOM 0 HG SER A 22 -3.849 14.424 6.416 1.00 0.00 H new ATOM 313 N LYS A 23 -6.353 9.792 6.503 1.00 0.00 N ATOM 314 CA LYS A 23 -7.136 8.687 5.976 1.00 0.00 C ATOM 315 C LYS A 23 -6.315 7.943 4.921 1.00 0.00 C ATOM 316 O LYS A 23 -5.384 8.503 4.346 1.00 0.00 O ATOM 317 CB LYS A 23 -8.489 9.186 5.464 1.00 0.00 C ATOM 318 CG LYS A 23 -9.552 9.114 6.562 1.00 0.00 C ATOM 319 CD LYS A 23 -9.572 10.399 7.391 1.00 0.00 C ATOM 320 CE LYS A 23 -10.705 10.370 8.419 1.00 0.00 C ATOM 321 NZ LYS A 23 -10.665 11.582 9.268 1.00 0.00 N ATOM 0 H LYS A 23 -6.060 9.682 7.474 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.364 7.971 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.392 10.214 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.802 8.586 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.532 8.951 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.352 8.261 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.616 10.522 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.695 11.259 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.666 10.308 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.617 9.480 9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.440 11.547 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.755 11.625 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.772 12.427 8.672 1.00 0.00 H new ATOM 334 N LYS A 24 -6.691 6.692 4.699 1.00 0.00 N ATOM 335 CA LYS A 24 -6.002 5.865 3.723 1.00 0.00 C ATOM 336 C LYS A 24 -4.720 5.310 4.347 1.00 0.00 C ATOM 337 O LYS A 24 -4.466 4.108 4.286 1.00 0.00 O ATOM 338 CB LYS A 24 -5.767 6.647 2.429 1.00 0.00 C ATOM 339 CG LYS A 24 -7.041 7.369 1.986 1.00 0.00 C ATOM 340 CD LYS A 24 -6.754 8.327 0.827 1.00 0.00 C ATOM 341 CE LYS A 24 -6.894 9.784 1.273 1.00 0.00 C ATOM 342 NZ LYS A 24 -5.610 10.501 1.110 1.00 0.00 N ATOM 0 H LYS A 24 -7.464 6.231 5.179 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.618 5.010 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.967 7.372 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.438 5.967 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.790 6.638 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.460 7.924 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.747 8.154 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.442 8.127 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.670 10.277 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.209 9.823 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.722 11.488 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.879 10.040 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.325 10.480 0.110 1.00 0.00 H new ATOM 355 N GLU A 25 -3.945 6.212 4.932 1.00 0.00 N ATOM 356 CA GLU A 25 -2.696 5.827 5.566 1.00 0.00 C ATOM 357 C GLU A 25 -2.827 4.440 6.200 1.00 0.00 C ATOM 358 O GLU A 25 -2.297 3.462 5.676 1.00 0.00 O ATOM 359 CB GLU A 25 -2.265 6.865 6.604 1.00 0.00 C ATOM 360 CG GLU A 25 -1.226 6.283 7.564 1.00 0.00 C ATOM 361 CD GLU A 25 -0.535 7.390 8.362 1.00 0.00 C ATOM 362 OE1 GLU A 25 -0.967 7.713 9.478 1.00 0.00 O ATOM 363 OE2 GLU A 25 0.488 7.922 7.783 1.00 0.00 O ATOM 0 H GLU A 25 -4.158 7.208 4.980 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.922 5.783 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.851 7.738 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.135 7.205 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.708 5.584 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.483 5.717 7.002 1.00 0.00 H new ATOM 371 N ILE A 26 -3.537 4.401 7.318 1.00 0.00 N ATOM 372 CA ILE A 26 -3.745 3.150 8.028 1.00 0.00 C ATOM 373 C ILE A 26 -4.758 2.296 7.263 1.00 0.00 C ATOM 374 O ILE A 26 -4.621 1.076 7.196 1.00 0.00 O ATOM 375 CB ILE A 26 -4.141 3.419 9.482 1.00 0.00 C ATOM 376 CG1 ILE A 26 -3.193 4.431 10.130 1.00 0.00 C ATOM 377 CG2 ILE A 26 -4.220 2.116 10.278 1.00 0.00 C ATOM 378 CD1 ILE A 26 -1.761 3.894 10.169 1.00 0.00 C ATOM 0 H ILE A 26 -3.975 5.215 7.749 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.817 2.580 8.074 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.137 3.861 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.219 5.367 9.573 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.530 4.653 11.143 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.503 2.335 11.308 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.965 1.460 9.829 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.248 1.623 10.266 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.108 4.632 10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.734 2.971 10.747 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.419 3.696 9.153 1.00 0.00 H new ATOM 390 N GLY A 27 -5.751 2.972 6.705 1.00 0.00 N ATOM 391 CA GLY A 27 -6.787 2.290 5.947 1.00 0.00 C ATOM 392 C GLY A 27 -6.182 1.475 4.802 1.00 0.00 C ATOM 393 O GLY A 27 -6.069 0.254 4.897 1.00 0.00 O ATOM 0 H GLY A 27 -5.861 3.984 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.352 1.632 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.490 3.020 5.546 1.00 0.00 H new ATOM 397 N ALA A 28 -5.808 2.183 3.747 1.00 0.00 N ATOM 398 CA ALA A 28 -5.217 1.541 2.585 1.00 0.00 C ATOM 399 C ALA A 28 -4.132 0.565 3.044 1.00 0.00 C ATOM 400 O ALA A 28 -4.005 -0.530 2.498 1.00 0.00 O ATOM 401 CB ALA A 28 -4.676 2.608 1.631 1.00 0.00 C ATOM 0 H ALA A 28 -5.903 3.196 3.672 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.967 0.968 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.233 2.126 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.491 3.257 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.918 3.202 2.142 1.00 0.00 H new ATOM 407 N MET A 29 -3.377 0.997 4.044 1.00 0.00 N ATOM 408 CA MET A 29 -2.307 0.175 4.583 1.00 0.00 C ATOM 409 C MET A 29 -2.736 -1.290 4.680 1.00 0.00 C ATOM 410 O MET A 29 -2.060 -2.175 4.158 1.00 0.00 O ATOM 411 CB MET A 29 -1.919 0.687 5.972 1.00 0.00 C ATOM 412 CG MET A 29 -1.794 -0.469 6.967 1.00 0.00 C ATOM 413 SD MET A 29 -0.547 -1.619 6.413 1.00 0.00 S ATOM 414 CE MET A 29 -0.284 -2.540 7.919 1.00 0.00 C ATOM 0 H MET A 29 -3.485 1.906 4.495 1.00 0.00 H new ATOM 0 HA MET A 29 -1.452 0.239 3.911 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.973 1.226 5.914 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.668 1.396 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.533 -0.084 7.953 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.752 -0.979 7.067 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.784 -2.592 8.132 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.795 -2.043 8.744 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.680 -3.549 7.802 1.00 0.00 H new ATOM 424 N LEU A 30 -3.858 -1.501 5.352 1.00 0.00 N ATOM 425 CA LEU A 30 -4.386 -2.844 5.525 1.00 0.00 C ATOM 426 C LEU A 30 -5.494 -3.087 4.498 1.00 0.00 C ATOM 427 O LEU A 30 -5.481 -4.095 3.793 1.00 0.00 O ATOM 428 CB LEU A 30 -4.831 -3.063 6.972 1.00 0.00 C ATOM 429 CG LEU A 30 -3.955 -3.999 7.808 1.00 0.00 C ATOM 430 CD1 LEU A 30 -3.236 -3.231 8.919 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.773 -5.170 8.357 1.00 0.00 C ATOM 0 H LEU A 30 -4.416 -0.764 5.783 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.609 -3.586 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.871 -2.094 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.846 -3.459 6.963 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.187 -4.419 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.621 -3.920 9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.603 -2.461 8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.972 -2.764 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.127 -5.820 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.577 -4.789 8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.198 -5.737 7.529 1.00 0.00 H new ATOM 443 N SER A 31 -6.426 -2.147 4.446 1.00 0.00 N ATOM 444 CA SER A 31 -7.539 -2.247 3.517 1.00 0.00 C ATOM 445 C SER A 31 -7.017 -2.336 2.082 1.00 0.00 C ATOM 446 O SER A 31 -7.644 -2.959 1.227 1.00 0.00 O ATOM 447 CB SER A 31 -8.488 -1.056 3.664 1.00 0.00 C ATOM 448 OG SER A 31 -9.254 -1.128 4.863 1.00 0.00 O ATOM 0 H SER A 31 -6.433 -1.312 5.032 1.00 0.00 H new ATOM 0 HA SER A 31 -8.098 -3.153 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.912 -0.131 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.160 -1.020 2.806 1.00 0.00 H new ATOM 0 HG SER A 31 -9.846 -0.349 4.920 1.00 0.00 H new ATOM 454 N LEU A 32 -5.873 -1.704 1.862 1.00 0.00 N ATOM 455 CA LEU A 32 -5.259 -1.704 0.546 1.00 0.00 C ATOM 456 C LEU A 32 -4.672 -3.087 0.261 1.00 0.00 C ATOM 457 O LEU A 32 -5.174 -3.815 -0.594 1.00 0.00 O ATOM 458 CB LEU A 32 -4.241 -0.568 0.429 1.00 0.00 C ATOM 459 CG LEU A 32 -3.942 -0.076 -0.989 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.401 -1.098 -2.031 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.556 1.304 -1.231 1.00 0.00 C ATOM 0 H LEU A 32 -5.356 -1.188 2.574 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.007 -1.511 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.600 0.277 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.306 -0.897 0.882 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.862 0.029 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.177 -0.724 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.878 -2.041 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.475 -1.258 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.329 1.630 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.637 1.249 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.140 2.017 -0.519 1.00 0.00 H new ATOM 473 N LEU A 33 -3.616 -3.409 0.994 1.00 0.00 N ATOM 474 CA LEU A 33 -2.955 -4.693 0.832 1.00 0.00 C ATOM 475 C LEU A 33 -3.864 -5.801 1.367 1.00 0.00 C ATOM 476 O LEU A 33 -4.062 -6.820 0.706 1.00 0.00 O ATOM 477 CB LEU A 33 -1.569 -4.668 1.479 1.00 0.00 C ATOM 478 CG LEU A 33 -0.465 -3.980 0.674 1.00 0.00 C ATOM 479 CD1 LEU A 33 -0.036 -4.842 -0.515 1.00 0.00 C ATOM 480 CD2 LEU A 33 -0.895 -2.578 0.240 1.00 0.00 C ATOM 0 H LEU A 33 -3.202 -2.803 1.702 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.784 -4.903 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.650 -4.171 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.262 -5.696 1.674 1.00 0.00 H new ATOM 0 HG LEU A 33 0.406 -3.864 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.750 -4.330 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.340 -5.799 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.891 -5.012 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.092 -2.111 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.788 -2.647 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.112 -1.975 1.122 1.00 0.00 H new ATOM 492 N GLN A 34 -4.392 -5.565 2.559 1.00 0.00 N ATOM 493 CA GLN A 34 -5.275 -6.531 3.190 1.00 0.00 C ATOM 494 C GLN A 34 -6.655 -6.499 2.530 1.00 0.00 C ATOM 495 O GLN A 34 -7.582 -7.167 2.988 1.00 0.00 O ATOM 496 CB GLN A 34 -5.382 -6.275 4.695 1.00 0.00 C ATOM 497 CG GLN A 34 -4.899 -7.488 5.493 1.00 0.00 C ATOM 498 CD GLN A 34 -3.647 -7.148 6.304 1.00 0.00 C ATOM 499 OE1 GLN A 34 -2.840 -6.313 5.929 1.00 0.00 O ATOM 500 NE2 GLN A 34 -3.530 -7.840 7.434 1.00 0.00 N ATOM 0 H GLN A 34 -4.225 -4.719 3.104 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.851 -7.526 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.789 -5.400 4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.416 -6.051 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.690 -7.825 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.684 -8.312 4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.242 -8.524 7.689 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.728 -7.686 8.046 1.00 0.00 H new ATOM 509 N LYS A 35 -6.748 -5.717 1.465 1.00 0.00 N ATOM 510 CA LYS A 35 -8.000 -5.590 0.737 1.00 0.00 C ATOM 511 C LYS A 35 -7.705 -5.482 -0.760 1.00 0.00 C ATOM 512 O LYS A 35 -8.441 -4.825 -1.496 1.00 0.00 O ATOM 513 CB LYS A 35 -8.823 -4.424 1.288 1.00 0.00 C ATOM 514 CG LYS A 35 -10.293 -4.819 1.447 1.00 0.00 C ATOM 515 CD LYS A 35 -10.615 -5.159 2.904 1.00 0.00 C ATOM 516 CE LYS A 35 -11.937 -5.921 3.010 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.070 -4.978 3.142 1.00 0.00 N ATOM 0 H LYS A 35 -5.977 -5.165 1.088 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.615 -6.479 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.420 -4.113 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.743 -3.568 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.931 -4.002 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.513 -5.677 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.810 -5.760 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.671 -4.242 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.076 -6.544 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.910 -6.589 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.960 -5.512 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.943 -4.401 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.104 -4.357 2.308 1.00 0.00 H new ATOM 530 N GLU A 36 -6.627 -6.135 -1.168 1.00 0.00 N ATOM 531 CA GLU A 36 -6.225 -6.120 -2.564 1.00 0.00 C ATOM 532 C GLU A 36 -5.692 -7.493 -2.978 1.00 0.00 C ATOM 533 O GLU A 36 -5.371 -7.713 -4.145 1.00 0.00 O ATOM 534 CB GLU A 36 -5.187 -5.027 -2.825 1.00 0.00 C ATOM 535 CG GLU A 36 -3.945 -5.233 -1.956 1.00 0.00 C ATOM 536 CD GLU A 36 -3.184 -6.493 -2.375 1.00 0.00 C ATOM 537 OE1 GLU A 36 -3.267 -7.524 -1.691 1.00 0.00 O ATOM 538 OE2 GLU A 36 -2.489 -6.376 -3.455 1.00 0.00 O ATOM 0 H GLU A 36 -6.019 -6.678 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.102 -5.894 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.904 -5.033 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.623 -4.050 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.291 -4.365 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.238 -5.313 -0.909 1.00 0.00 H new ATOM 546 N GLY A 37 -5.615 -8.382 -1.998 1.00 0.00 N ATOM 547 CA GLY A 37 -5.126 -9.728 -2.246 1.00 0.00 C ATOM 548 C GLY A 37 -3.866 -10.013 -1.427 1.00 0.00 C ATOM 549 O GLY A 37 -3.026 -10.816 -1.832 1.00 0.00 O ATOM 0 H GLY A 37 -5.883 -8.197 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.900 -10.452 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.910 -9.850 -3.307 1.00 0.00 H new ATOM 553 N LEU A 38 -3.773 -9.339 -0.290 1.00 0.00 N ATOM 554 CA LEU A 38 -2.629 -9.510 0.589 1.00 0.00 C ATOM 555 C LEU A 38 -3.120 -9.723 2.023 1.00 0.00 C ATOM 556 O LEU A 38 -2.568 -9.153 2.963 1.00 0.00 O ATOM 557 CB LEU A 38 -1.658 -8.337 0.440 1.00 0.00 C ATOM 558 CG LEU A 38 -0.483 -8.557 -0.516 1.00 0.00 C ATOM 559 CD1 LEU A 38 -0.938 -8.463 -1.974 1.00 0.00 C ATOM 560 CD2 LEU A 38 0.662 -7.589 -0.209 1.00 0.00 C ATOM 0 H LEU A 38 -4.471 -8.674 0.043 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.064 -10.399 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.220 -7.467 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.259 -8.094 1.425 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.101 -9.566 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.084 -8.623 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.694 -9.223 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.360 -7.475 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.484 -7.766 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.310 -6.563 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.008 -7.747 0.812 1.00 0.00 H new ATOM 572 N LEU A 39 -4.152 -10.545 2.145 1.00 0.00 N ATOM 573 CA LEU A 39 -4.724 -10.840 3.448 1.00 0.00 C ATOM 574 C LEU A 39 -4.348 -12.266 3.854 1.00 0.00 C ATOM 575 O LEU A 39 -4.914 -12.816 4.797 1.00 0.00 O ATOM 576 CB LEU A 39 -6.231 -10.578 3.443 1.00 0.00 C ATOM 577 CG LEU A 39 -6.784 -9.818 4.650 1.00 0.00 C ATOM 578 CD1 LEU A 39 -8.304 -9.969 4.743 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.085 -10.254 5.939 1.00 0.00 C ATOM 0 H LEU A 39 -4.607 -11.016 1.363 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.311 -10.174 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.479 -10.018 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.746 -11.536 3.375 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.573 -8.757 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.672 -9.419 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.765 -9.572 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.559 -11.024 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.497 -9.699 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.243 -11.321 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.017 -10.053 5.859 1.00 0.00 H new ATOM 591 N MET A 40 -3.396 -12.824 3.121 1.00 0.00 N ATOM 592 CA MET A 40 -2.938 -14.176 3.393 1.00 0.00 C ATOM 593 C MET A 40 -1.565 -14.165 4.069 1.00 0.00 C ATOM 594 O MET A 40 -0.946 -15.213 4.242 1.00 0.00 O ATOM 595 CB MET A 40 -2.855 -14.961 2.082 1.00 0.00 C ATOM 596 CG MET A 40 -2.243 -16.345 2.309 1.00 0.00 C ATOM 597 SD MET A 40 -3.057 -17.550 1.274 1.00 0.00 S ATOM 598 CE MET A 40 -3.057 -18.955 2.375 1.00 0.00 C ATOM 0 H MET A 40 -2.929 -12.365 2.339 1.00 0.00 H new ATOM 0 HA MET A 40 -3.650 -14.651 4.067 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.852 -15.066 1.653 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.254 -14.408 1.360 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.177 -16.321 2.084 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.342 -16.628 3.357 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.533 -19.803 1.883 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.030 -19.215 2.634 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.608 -18.706 3.282 1.00 0.00 H new ATOM 608 N SER A 41 -1.130 -12.967 4.433 1.00 0.00 N ATOM 609 CA SER A 41 0.157 -12.805 5.086 1.00 0.00 C ATOM 610 C SER A 41 0.766 -11.452 4.714 1.00 0.00 C ATOM 611 O SER A 41 1.169 -11.242 3.571 1.00 0.00 O ATOM 612 CB SER A 41 1.113 -13.939 4.708 1.00 0.00 C ATOM 613 OG SER A 41 1.027 -14.272 3.325 1.00 0.00 O ATOM 0 H SER A 41 -1.647 -12.100 4.288 1.00 0.00 H new ATOM 0 HA SER A 41 0.000 -12.842 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.135 -13.646 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.885 -14.820 5.308 1.00 0.00 H new ATOM 0 HG SER A 41 0.524 -15.106 3.220 1.00 0.00 H new ATOM 619 N PRO A 42 0.816 -10.546 5.726 1.00 0.00 N ATOM 620 CA PRO A 42 1.369 -9.219 5.517 1.00 0.00 C ATOM 621 C PRO A 42 2.896 -9.267 5.440 1.00 0.00 C ATOM 622 O PRO A 42 3.539 -8.260 5.145 1.00 0.00 O ATOM 623 CB PRO A 42 0.859 -8.391 6.686 1.00 0.00 C ATOM 624 CG PRO A 42 0.428 -9.390 7.747 1.00 0.00 C ATOM 625 CD PRO A 42 0.348 -10.760 7.093 1.00 0.00 C ATOM 0 HA PRO A 42 1.059 -8.779 4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.638 -7.730 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.024 -7.759 6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.140 -9.402 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.539 -9.110 8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.971 -11.485 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.671 -11.147 7.107 1.00 0.00 H new ATOM 633 N SER A 43 3.433 -10.448 5.709 1.00 0.00 N ATOM 634 CA SER A 43 4.873 -10.641 5.674 1.00 0.00 C ATOM 635 C SER A 43 5.381 -10.528 4.235 1.00 0.00 C ATOM 636 O SER A 43 6.585 -10.423 4.004 1.00 0.00 O ATOM 637 CB SER A 43 5.262 -11.996 6.269 1.00 0.00 C ATOM 638 OG SER A 43 6.290 -11.873 7.248 1.00 0.00 O ATOM 0 H SER A 43 2.897 -11.281 5.952 1.00 0.00 H new ATOM 0 HA SER A 43 5.337 -9.862 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.385 -12.459 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.598 -12.659 5.472 1.00 0.00 H new ATOM 0 HG SER A 43 7.166 -11.922 6.811 1.00 0.00 H new ATOM 644 N ASP A 44 4.438 -10.552 3.305 1.00 0.00 N ATOM 645 CA ASP A 44 4.775 -10.454 1.895 1.00 0.00 C ATOM 646 C ASP A 44 5.967 -9.510 1.725 1.00 0.00 C ATOM 647 O ASP A 44 6.812 -9.721 0.855 1.00 0.00 O ATOM 648 CB ASP A 44 3.605 -9.888 1.087 1.00 0.00 C ATOM 649 CG ASP A 44 3.704 -10.094 -0.426 1.00 0.00 C ATOM 650 OD1 ASP A 44 2.870 -9.593 -1.195 1.00 0.00 O ATOM 651 OD2 ASP A 44 4.703 -10.812 -0.814 1.00 0.00 O ATOM 0 H ASP A 44 3.441 -10.638 3.500 1.00 0.00 H new ATOM 0 HA ASP A 44 5.012 -11.455 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.682 -10.348 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.527 -8.820 1.289 1.00 0.00 H new ATOM 657 N LEU A 45 5.998 -8.489 2.568 1.00 0.00 N ATOM 658 CA LEU A 45 7.073 -7.512 2.522 1.00 0.00 C ATOM 659 C LEU A 45 8.418 -8.240 2.541 1.00 0.00 C ATOM 660 O LEU A 45 9.380 -7.790 1.920 1.00 0.00 O ATOM 661 CB LEU A 45 6.912 -6.486 3.645 1.00 0.00 C ATOM 662 CG LEU A 45 8.210 -5.950 4.255 1.00 0.00 C ATOM 663 CD1 LEU A 45 7.945 -4.701 5.098 1.00 0.00 C ATOM 664 CD2 LEU A 45 8.931 -7.038 5.053 1.00 0.00 C ATOM 0 H LEU A 45 5.296 -8.317 3.287 1.00 0.00 H new ATOM 0 HA LEU A 45 7.032 -6.942 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.339 -5.642 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.319 -6.937 4.441 1.00 0.00 H new ATOM 0 HG LEU A 45 8.873 -5.655 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.883 -4.341 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.507 -3.925 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.255 -4.947 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.850 -6.631 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.285 -7.387 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.173 -7.872 4.394 1.00 0.00 H new ATOM 676 N TYR A 46 8.443 -9.352 3.261 1.00 0.00 N ATOM 677 CA TYR A 46 9.655 -10.146 3.370 1.00 0.00 C ATOM 678 C TYR A 46 10.159 -10.569 1.988 1.00 0.00 C ATOM 679 O TYR A 46 11.287 -11.041 1.853 1.00 0.00 O ATOM 680 CB TYR A 46 9.271 -11.396 4.164 1.00 0.00 C ATOM 681 CG TYR A 46 9.281 -11.196 5.681 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.929 -10.108 6.230 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.642 -12.104 6.501 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.939 -9.920 7.657 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.651 -11.916 7.928 1.00 0.00 C ATOM 686 CZ TYR A 46 9.299 -10.833 8.436 1.00 0.00 C ATOM 687 OH TYR A 46 9.308 -10.656 9.785 1.00 0.00 O ATOM 0 H TYR A 46 7.643 -9.722 3.775 1.00 0.00 H new ATOM 0 HA TYR A 46 10.447 -9.573 3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.276 -11.718 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.960 -12.202 3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.429 -9.397 5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.135 -12.956 6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.443 -9.073 8.099 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.155 -12.619 8.581 1.00 0.00 H new ATOM 0 HH TYR A 46 8.811 -11.384 10.214 1.00 0.00 H new ATOM 697 N SER A 47 9.298 -10.385 0.998 1.00 0.00 N ATOM 698 CA SER A 47 9.642 -10.742 -0.368 1.00 0.00 C ATOM 699 C SER A 47 10.044 -9.491 -1.151 1.00 0.00 C ATOM 700 O SER A 47 9.494 -8.413 -0.931 1.00 0.00 O ATOM 701 CB SER A 47 8.476 -11.450 -1.062 1.00 0.00 C ATOM 702 OG SER A 47 8.744 -11.695 -2.440 1.00 0.00 O ATOM 0 H SER A 47 8.363 -9.994 1.114 1.00 0.00 H new ATOM 0 HA SER A 47 10.486 -11.431 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.274 -12.395 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.576 -10.842 -0.970 1.00 0.00 H new ATOM 0 HG SER A 47 7.977 -12.150 -2.847 1.00 0.00 H new ATOM 708 N PRO A 48 11.027 -9.680 -2.072 1.00 0.00 N ATOM 709 CA PRO A 48 11.509 -8.579 -2.888 1.00 0.00 C ATOM 710 C PRO A 48 10.502 -8.227 -3.984 1.00 0.00 C ATOM 711 O PRO A 48 10.326 -8.984 -4.937 1.00 0.00 O ATOM 712 CB PRO A 48 12.844 -9.053 -3.439 1.00 0.00 C ATOM 713 CG PRO A 48 12.842 -10.566 -3.291 1.00 0.00 C ATOM 714 CD PRO A 48 11.702 -10.942 -2.359 1.00 0.00 C ATOM 0 HA PRO A 48 11.632 -7.657 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.961 -8.763 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.674 -8.608 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.715 -11.044 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.794 -10.911 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.025 -11.655 -2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.074 -11.409 -1.447 1.00 0.00 H new ATOM 722 N GLY A 49 9.867 -7.076 -3.813 1.00 0.00 N ATOM 723 CA GLY A 49 8.882 -6.614 -4.776 1.00 0.00 C ATOM 724 C GLY A 49 7.469 -7.020 -4.352 1.00 0.00 C ATOM 725 O GLY A 49 6.772 -7.717 -5.088 1.00 0.00 O ATOM 0 H GLY A 49 10.016 -6.450 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.940 -5.530 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.105 -7.031 -5.758 1.00 0.00 H new ATOM 729 N SER A 50 7.088 -6.567 -3.167 1.00 0.00 N ATOM 730 CA SER A 50 5.770 -6.874 -2.636 1.00 0.00 C ATOM 731 C SER A 50 4.787 -5.759 -2.999 1.00 0.00 C ATOM 732 O SER A 50 3.614 -5.817 -2.633 1.00 0.00 O ATOM 733 CB SER A 50 5.818 -7.065 -1.119 1.00 0.00 C ATOM 734 OG SER A 50 5.650 -8.431 -0.748 1.00 0.00 O ATOM 0 H SER A 50 7.669 -5.990 -2.559 1.00 0.00 H new ATOM 0 HA SER A 50 5.431 -7.809 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.772 -6.700 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.037 -6.464 -0.653 1.00 0.00 H new ATOM 0 HG SER A 50 6.515 -8.807 -0.483 1.00 0.00 H new ATOM 740 N TRP A 51 5.301 -4.770 -3.715 1.00 0.00 N ATOM 741 CA TRP A 51 4.483 -3.644 -4.132 1.00 0.00 C ATOM 742 C TRP A 51 4.047 -3.886 -5.578 1.00 0.00 C ATOM 743 O TRP A 51 3.109 -3.254 -6.062 1.00 0.00 O ATOM 744 CB TRP A 51 5.233 -2.323 -3.948 1.00 0.00 C ATOM 745 CG TRP A 51 5.298 -1.842 -2.497 1.00 0.00 C ATOM 746 CD1 TRP A 51 6.240 -2.107 -1.581 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.339 -0.996 -1.828 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.959 -1.496 -0.376 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.767 -0.799 -0.531 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.150 -0.416 -2.303 1.00 0.00 C ATOM 751 CZ2 TRP A 51 4.065 -0.021 0.398 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.460 0.358 -1.363 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.877 0.566 -0.053 1.00 0.00 C ATOM 0 H TRP A 51 6.274 -4.725 -4.017 1.00 0.00 H new ATOM 0 HA TRP A 51 3.593 -3.563 -3.508 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.248 -2.437 -4.328 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.751 -1.556 -4.553 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.109 -2.721 -1.763 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.523 -1.547 0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.797 -0.557 -3.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.421 0.119 1.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.539 0.827 -1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.287 1.178 0.613 1.00 0.00 H new ATOM 764 N ASP A 52 4.747 -4.804 -6.229 1.00 0.00 N ATOM 765 CA ASP A 52 4.444 -5.138 -7.610 1.00 0.00 C ATOM 766 C ASP A 52 3.218 -6.052 -7.651 1.00 0.00 C ATOM 767 O ASP A 52 2.504 -6.095 -8.652 1.00 0.00 O ATOM 768 CB ASP A 52 5.610 -5.880 -8.266 1.00 0.00 C ATOM 769 CG ASP A 52 6.014 -5.358 -9.646 1.00 0.00 C ATOM 770 OD1 ASP A 52 6.302 -6.139 -10.565 1.00 0.00 O ATOM 771 OD2 ASP A 52 6.027 -4.073 -9.761 1.00 0.00 O ATOM 0 H ASP A 52 5.524 -5.327 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 52 4.260 -4.209 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.475 -5.823 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.346 -6.934 -8.356 1.00 0.00 H new ATOM 777 N PRO A 53 3.005 -6.780 -6.523 1.00 0.00 N ATOM 778 CA PRO A 53 1.878 -7.691 -6.421 1.00 0.00 C ATOM 779 C PRO A 53 0.570 -6.924 -6.214 1.00 0.00 C ATOM 780 O PRO A 53 -0.463 -7.291 -6.772 1.00 0.00 O ATOM 781 CB PRO A 53 2.218 -8.610 -5.259 1.00 0.00 C ATOM 782 CG PRO A 53 3.295 -7.892 -4.461 1.00 0.00 C ATOM 783 CD PRO A 53 3.829 -6.756 -5.318 1.00 0.00 C ATOM 0 HA PRO A 53 1.719 -8.267 -7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.339 -8.803 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.575 -9.576 -5.616 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.885 -7.506 -3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.097 -8.581 -4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.748 -5.799 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.883 -6.901 -5.556 1.00 0.00 H new ATOM 791 N ILE A 54 0.658 -5.874 -5.411 1.00 0.00 N ATOM 792 CA ILE A 54 -0.505 -5.053 -5.123 1.00 0.00 C ATOM 793 C ILE A 54 -0.857 -4.223 -6.360 1.00 0.00 C ATOM 794 O ILE A 54 -1.988 -3.763 -6.502 1.00 0.00 O ATOM 795 CB ILE A 54 -0.271 -4.213 -3.866 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.566 -4.049 -3.067 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.361 -2.865 -4.217 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.753 -2.598 -2.620 1.00 0.00 C ATOM 0 H ILE A 54 1.517 -5.573 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.368 -5.681 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 54 0.436 -4.743 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.415 -4.358 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.545 -4.702 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.517 -2.288 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.319 -3.030 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.302 -2.316 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.680 -2.508 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.914 -2.300 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.798 -1.950 -3.496 1.00 0.00 H new ATOM 810 N THR A 55 0.135 -4.058 -7.223 1.00 0.00 N ATOM 811 CA THR A 55 -0.055 -3.291 -8.443 1.00 0.00 C ATOM 812 C THR A 55 -1.167 -3.910 -9.294 1.00 0.00 C ATOM 813 O THR A 55 -2.167 -3.256 -9.586 1.00 0.00 O ATOM 814 CB THR A 55 1.291 -3.212 -9.166 1.00 0.00 C ATOM 815 OG1 THR A 55 1.720 -1.870 -8.955 1.00 0.00 O ATOM 816 CG2 THR A 55 1.146 -3.322 -10.686 1.00 0.00 C ATOM 0 H THR A 55 1.072 -4.442 -7.102 1.00 0.00 H new ATOM 0 HA THR A 55 -0.383 -2.275 -8.225 1.00 0.00 H new ATOM 0 HB THR A 55 1.944 -4.006 -8.805 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.471 -1.322 -9.728 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.130 -3.260 -11.151 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.684 -4.276 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.520 -2.508 -11.052 1.00 0.00 H new ATOM 824 N ALA A 56 -0.954 -5.163 -9.667 1.00 0.00 N ATOM 825 CA ALA A 56 -1.926 -5.877 -10.478 1.00 0.00 C ATOM 826 C ALA A 56 -3.055 -6.389 -9.581 1.00 0.00 C ATOM 827 O ALA A 56 -4.113 -6.779 -10.072 1.00 0.00 O ATOM 828 CB ALA A 56 -1.226 -7.006 -11.237 1.00 0.00 C ATOM 0 H ALA A 56 -0.123 -5.702 -9.423 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.370 -5.212 -11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.955 -7.542 -11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.453 -6.587 -11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.771 -7.695 -10.526 1.00 0.00 H new ATOM 834 N ALA A 57 -2.790 -6.371 -8.283 1.00 0.00 N ATOM 835 CA ALA A 57 -3.771 -6.829 -7.314 1.00 0.00 C ATOM 836 C ALA A 57 -5.086 -6.079 -7.531 1.00 0.00 C ATOM 837 O ALA A 57 -6.078 -6.668 -7.956 1.00 0.00 O ATOM 838 CB ALA A 57 -3.218 -6.639 -5.900 1.00 0.00 C ATOM 0 H ALA A 57 -1.911 -6.047 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.973 -7.892 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.953 -6.982 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.300 -7.216 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.006 -5.583 -5.731 1.00 0.00 H new ATOM 844 N LEU A 58 -5.051 -4.789 -7.231 1.00 0.00 N ATOM 845 CA LEU A 58 -6.228 -3.952 -7.388 1.00 0.00 C ATOM 846 C LEU A 58 -6.600 -3.876 -8.871 1.00 0.00 C ATOM 847 O LEU A 58 -7.773 -3.983 -9.226 1.00 0.00 O ATOM 848 CB LEU A 58 -6.003 -2.584 -6.740 1.00 0.00 C ATOM 849 CG LEU A 58 -5.477 -2.601 -5.304 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.950 -2.694 -5.281 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.989 -1.392 -4.518 1.00 0.00 C ATOM 0 H LEU A 58 -4.226 -4.303 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.079 -4.390 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.301 -2.023 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.946 -2.038 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.862 -3.493 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.602 -2.704 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.634 -3.610 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.525 -1.834 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.600 -1.428 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.654 -0.475 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.079 -1.410 -4.491 1.00 0.00 H new ATOM 863 N SER A 59 -5.580 -3.692 -9.695 1.00 0.00 N ATOM 864 CA SER A 59 -5.785 -3.601 -11.131 1.00 0.00 C ATOM 865 C SER A 59 -6.559 -4.824 -11.627 1.00 0.00 C ATOM 866 O SER A 59 -7.371 -4.718 -12.546 1.00 0.00 O ATOM 867 CB SER A 59 -4.451 -3.481 -11.871 1.00 0.00 C ATOM 868 OG SER A 59 -4.259 -4.544 -12.801 1.00 0.00 O ATOM 0 H SER A 59 -4.609 -3.603 -9.396 1.00 0.00 H new ATOM 0 HA SER A 59 -6.366 -2.702 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.413 -2.527 -12.397 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.635 -3.479 -11.149 1.00 0.00 H new ATOM 0 HG SER A 59 -3.397 -4.431 -13.254 1.00 0.00 H new ATOM 874 N GLN A 60 -6.282 -5.956 -10.998 1.00 0.00 N ATOM 875 CA GLN A 60 -6.942 -7.197 -11.364 1.00 0.00 C ATOM 876 C GLN A 60 -8.404 -7.174 -10.913 1.00 0.00 C ATOM 877 O GLN A 60 -9.269 -7.756 -11.567 1.00 0.00 O ATOM 878 CB GLN A 60 -6.206 -8.404 -10.778 1.00 0.00 C ATOM 879 CG GLN A 60 -7.138 -9.612 -10.664 1.00 0.00 C ATOM 880 CD GLN A 60 -7.810 -9.915 -12.005 1.00 0.00 C ATOM 881 OE1 GLN A 60 -7.401 -9.443 -13.054 1.00 0.00 O ATOM 882 NE2 GLN A 60 -8.860 -10.726 -11.914 1.00 0.00 N ATOM 0 H GLN A 60 -5.609 -6.040 -10.236 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.919 -7.291 -12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.354 -8.656 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.811 -8.151 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.572 -10.482 -10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.899 -9.419 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.149 -11.086 -11.004 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.376 -10.988 -12.754 1.00 0.00 H new ATOM 891 N ARG A 61 -8.635 -6.496 -9.798 1.00 0.00 N ATOM 892 CA ARG A 61 -9.977 -6.389 -9.252 1.00 0.00 C ATOM 893 C ARG A 61 -10.141 -5.067 -8.501 1.00 0.00 C ATOM 894 O ARG A 61 -10.370 -5.059 -7.292 1.00 0.00 O ATOM 895 CB ARG A 61 -10.278 -7.549 -8.300 1.00 0.00 C ATOM 896 CG ARG A 61 -10.580 -8.832 -9.078 1.00 0.00 C ATOM 897 CD ARG A 61 -11.984 -8.789 -9.683 1.00 0.00 C ATOM 898 NE ARG A 61 -12.918 -9.582 -8.851 1.00 0.00 N ATOM 899 CZ ARG A 61 -14.140 -9.985 -9.259 1.00 0.00 C ATOM 900 NH1 ARG A 61 -14.587 -9.673 -10.494 1.00 0.00 N ATOM 901 NH2 ARG A 61 -14.891 -10.689 -8.433 1.00 0.00 N ATOM 0 H ARG A 61 -7.915 -6.015 -9.258 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.678 -6.426 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.427 -7.712 -7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.128 -7.294 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.843 -8.963 -9.870 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.492 -9.693 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.329 -7.757 -9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.964 -9.184 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.619 -9.840 -7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.000 -9.129 -11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.512 -9.981 -10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.546 -10.921 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.817 -11.001 -8.726 1.00 0.00 H new ATOM 914 N ALA A 62 -10.017 -3.979 -9.248 1.00 0.00 N ATOM 915 CA ALA A 62 -10.148 -2.654 -8.667 1.00 0.00 C ATOM 916 C ALA A 62 -11.613 -2.404 -8.303 1.00 0.00 C ATOM 917 O ALA A 62 -11.942 -1.382 -7.703 1.00 0.00 O ATOM 918 CB ALA A 62 -9.605 -1.611 -9.647 1.00 0.00 C ATOM 0 H ALA A 62 -9.827 -3.989 -10.250 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.563 -2.577 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.703 -0.617 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.554 -1.816 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.171 -1.657 -10.578 1.00 0.00 H new ATOM 924 N MET A 63 -12.454 -3.355 -8.682 1.00 0.00 N ATOM 925 CA MET A 63 -13.876 -3.251 -8.403 1.00 0.00 C ATOM 926 C MET A 63 -14.236 -3.980 -7.107 1.00 0.00 C ATOM 927 O MET A 63 -15.412 -4.172 -6.804 1.00 0.00 O ATOM 928 CB MET A 63 -14.670 -3.852 -9.565 1.00 0.00 C ATOM 929 CG MET A 63 -14.912 -2.812 -10.660 1.00 0.00 C ATOM 930 SD MET A 63 -16.102 -1.603 -10.102 1.00 0.00 S ATOM 931 CE MET A 63 -17.587 -2.269 -10.835 1.00 0.00 C ATOM 0 H MET A 63 -12.178 -4.201 -9.180 1.00 0.00 H new ATOM 0 HA MET A 63 -14.128 -2.197 -8.286 1.00 0.00 H new ATOM 0 HB2 MET A 63 -14.128 -4.702 -9.979 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.625 -4.230 -9.200 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.975 -2.319 -10.919 1.00 0.00 H new ATOM 0 HG3 MET A 63 -15.275 -3.301 -11.564 1.00 0.00 H new ATOM 0 HE1 MET A 63 -18.434 -1.631 -10.584 1.00 0.00 H new ATOM 0 HE2 MET A 63 -17.471 -2.310 -11.918 1.00 0.00 H new ATOM 0 HE3 MET A 63 -17.763 -3.274 -10.451 1.00 0.00 H new ATOM 941 N ILE A 64 -13.200 -4.367 -6.376 1.00 0.00 N ATOM 942 CA ILE A 64 -13.392 -5.071 -5.120 1.00 0.00 C ATOM 943 C ILE A 64 -13.171 -4.101 -3.958 1.00 0.00 C ATOM 944 O ILE A 64 -13.473 -4.422 -2.810 1.00 0.00 O ATOM 945 CB ILE A 64 -12.502 -6.314 -5.061 1.00 0.00 C ATOM 946 CG1 ILE A 64 -13.096 -7.453 -5.892 1.00 0.00 C ATOM 947 CG2 ILE A 64 -12.243 -6.735 -3.613 1.00 0.00 C ATOM 948 CD1 ILE A 64 -13.702 -6.924 -7.194 1.00 0.00 C ATOM 0 H ILE A 64 -12.225 -4.206 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.416 -5.436 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.536 -6.064 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -12.321 -8.185 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.862 -7.969 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.608 -7.621 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.745 -5.924 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.191 -6.961 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -14.117 -7.754 -7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.493 -6.210 -6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.928 -6.430 -7.781 1.00 0.00 H new ATOM 960 N LEU A 65 -12.645 -2.932 -4.296 1.00 0.00 N ATOM 961 CA LEU A 65 -12.380 -1.913 -3.295 1.00 0.00 C ATOM 962 C LEU A 65 -13.182 -0.655 -3.629 1.00 0.00 C ATOM 963 O LEU A 65 -14.176 -0.722 -4.350 1.00 0.00 O ATOM 964 CB LEU A 65 -10.875 -1.667 -3.166 1.00 0.00 C ATOM 965 CG LEU A 65 -9.971 -2.609 -3.963 1.00 0.00 C ATOM 966 CD1 LEU A 65 -8.494 -2.298 -3.709 1.00 0.00 C ATOM 967 CD2 LEU A 65 -10.307 -4.072 -3.668 1.00 0.00 C ATOM 0 H LEU A 65 -12.395 -2.668 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.710 -2.250 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.666 -0.644 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.604 -1.740 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.157 -2.443 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.873 -2.982 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.281 -1.272 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.274 -2.418 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.650 -4.720 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.167 -4.270 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.344 -4.269 -3.941 1.00 0.00 H new ATOM 979 N GLY A 66 -12.721 0.464 -3.089 1.00 0.00 N ATOM 980 CA GLY A 66 -13.383 1.736 -3.322 1.00 0.00 C ATOM 981 C GLY A 66 -13.513 2.532 -2.022 1.00 0.00 C ATOM 982 O GLY A 66 -14.565 2.521 -1.385 1.00 0.00 O ATOM 0 H GLY A 66 -11.897 0.516 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.819 2.315 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.372 1.563 -3.747 1.00 0.00 H new ATOM 986 N LYS A 67 -12.428 3.204 -1.666 1.00 0.00 N ATOM 987 CA LYS A 67 -12.407 4.005 -0.454 1.00 0.00 C ATOM 988 C LYS A 67 -12.098 5.459 -0.813 1.00 0.00 C ATOM 989 O LYS A 67 -11.497 6.184 -0.021 1.00 0.00 O ATOM 990 CB LYS A 67 -11.439 3.404 0.568 1.00 0.00 C ATOM 991 CG LYS A 67 -11.916 3.669 1.997 1.00 0.00 C ATOM 992 CD LYS A 67 -11.833 2.399 2.847 1.00 0.00 C ATOM 993 CE LYS A 67 -12.997 2.325 3.837 1.00 0.00 C ATOM 994 NZ LYS A 67 -13.192 0.934 4.304 1.00 0.00 N ATOM 0 H LYS A 67 -11.557 3.210 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.386 3.997 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.351 2.330 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.446 3.830 0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.308 4.453 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.943 4.033 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.845 1.522 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.888 2.381 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.800 2.977 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.909 2.687 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.986 0.901 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.401 0.321 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.326 0.601 4.775 1.00 0.00 H new ATOM 1007 N SER A 68 -12.522 5.843 -2.008 1.00 0.00 N ATOM 1008 CA SER A 68 -12.298 7.198 -2.482 1.00 0.00 C ATOM 1009 C SER A 68 -12.826 7.347 -3.910 1.00 0.00 C ATOM 1010 O SER A 68 -13.398 8.378 -4.260 1.00 0.00 O ATOM 1011 CB SER A 68 -10.813 7.564 -2.424 1.00 0.00 C ATOM 1012 OG SER A 68 -10.551 8.829 -3.025 1.00 0.00 O ATOM 0 H SER A 68 -13.020 5.239 -2.662 1.00 0.00 H new ATOM 0 HA SER A 68 -12.839 7.882 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.484 7.581 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.230 6.795 -2.930 1.00 0.00 H new ATOM 0 HG SER A 68 -9.593 9.027 -2.966 1.00 0.00 H new ATOM 1018 N GLY A 69 -12.614 6.303 -4.697 1.00 0.00 N ATOM 1019 CA GLY A 69 -13.062 6.304 -6.079 1.00 0.00 C ATOM 1020 C GLY A 69 -12.883 4.924 -6.715 1.00 0.00 C ATOM 1021 O GLY A 69 -13.717 4.038 -6.529 1.00 0.00 O ATOM 0 H GLY A 69 -12.138 5.450 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.111 6.596 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.500 7.046 -6.647 1.00 0.00 H new ATOM 1025 N GLU A 70 -11.792 4.784 -7.453 1.00 0.00 N ATOM 1026 CA GLU A 70 -11.493 3.527 -8.117 1.00 0.00 C ATOM 1027 C GLU A 70 -10.286 2.853 -7.461 1.00 0.00 C ATOM 1028 O GLU A 70 -10.436 1.868 -6.740 1.00 0.00 O ATOM 1029 CB GLU A 70 -11.256 3.740 -9.613 1.00 0.00 C ATOM 1030 CG GLU A 70 -11.936 2.645 -10.438 1.00 0.00 C ATOM 1031 CD GLU A 70 -12.999 3.238 -11.366 1.00 0.00 C ATOM 1032 OE1 GLU A 70 -12.754 4.270 -12.008 1.00 0.00 O ATOM 1033 OE2 GLU A 70 -14.111 2.586 -11.407 1.00 0.00 O ATOM 0 H GLU A 70 -11.104 5.521 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.355 2.868 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.640 4.716 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.186 3.743 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.190 2.112 -11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.396 1.915 -9.772 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.116 3.412 -7.735 1.00 0.00 N ATOM 1042 CA LEU A 71 -7.884 2.877 -7.180 1.00 0.00 C ATOM 1043 C LEU A 71 -6.988 4.034 -6.731 1.00 0.00 C ATOM 1044 O LEU A 71 -5.771 3.881 -6.637 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.213 1.932 -8.178 1.00 0.00 C ATOM 1046 CG LEU A 71 -6.909 0.522 -7.667 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -8.199 -0.236 -7.349 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -6.024 -0.241 -8.655 1.00 0.00 C ATOM 0 H LEU A 71 -8.995 4.229 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.094 2.274 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.854 1.848 -9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.279 2.387 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.349 0.610 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.954 -1.235 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.757 0.301 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.806 -0.315 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.823 -1.240 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.535 -0.320 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.083 0.293 -8.788 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.625 5.165 -6.465 1.00 0.00 N ATOM 1061 CA LYS A 72 -6.901 6.346 -6.028 1.00 0.00 C ATOM 1062 C LYS A 72 -5.953 5.966 -4.889 1.00 0.00 C ATOM 1063 O LYS A 72 -4.779 6.333 -4.906 1.00 0.00 O ATOM 1064 CB LYS A 72 -7.876 7.469 -5.668 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.350 8.825 -6.141 1.00 0.00 C ATOM 1066 CD LYS A 72 -7.952 9.205 -7.495 1.00 0.00 C ATOM 1067 CE LYS A 72 -7.355 10.515 -8.013 1.00 0.00 C ATOM 1068 NZ LYS A 72 -6.736 10.314 -9.342 1.00 0.00 N ATOM 0 H LYS A 72 -8.634 5.288 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.285 6.737 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.847 7.273 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.029 7.491 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.592 9.590 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.263 8.790 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.768 8.408 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.033 9.306 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.134 11.275 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.608 10.884 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.336 11.213 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.979 9.604 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.457 9.983 -10.014 1.00 0.00 H new ATOM 1081 N THR A 73 -6.498 5.236 -3.927 1.00 0.00 N ATOM 1082 CA THR A 73 -5.715 4.802 -2.783 1.00 0.00 C ATOM 1083 C THR A 73 -4.516 3.970 -3.242 1.00 0.00 C ATOM 1084 O THR A 73 -3.403 4.155 -2.752 1.00 0.00 O ATOM 1085 CB THR A 73 -6.647 4.051 -1.830 1.00 0.00 C ATOM 1086 OG1 THR A 73 -7.951 4.486 -2.205 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.501 4.516 -0.380 1.00 0.00 C ATOM 0 H THR A 73 -7.472 4.934 -3.916 1.00 0.00 H new ATOM 0 HA THR A 73 -5.294 5.652 -2.246 1.00 0.00 H new ATOM 0 HB THR A 73 -6.442 2.982 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.618 4.046 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.185 3.951 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.477 4.351 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.738 5.578 -0.313 1.00 0.00 H new ATOM 1095 N TRP A 74 -4.783 3.070 -4.177 1.00 0.00 N ATOM 1096 CA TRP A 74 -3.740 2.209 -4.707 1.00 0.00 C ATOM 1097 C TRP A 74 -2.592 3.098 -5.189 1.00 0.00 C ATOM 1098 O TRP A 74 -1.430 2.697 -5.141 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.289 1.294 -5.804 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.218 0.470 -6.521 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.378 -0.430 -5.992 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -2.904 0.506 -7.929 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -1.549 -0.974 -6.951 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -1.879 -0.386 -8.167 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.468 1.268 -8.967 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.329 -0.601 -9.437 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.907 1.042 -10.230 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.875 0.147 -10.486 1.00 0.00 C ATOM 0 H TRP A 74 -5.707 2.919 -4.581 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.361 1.541 -3.933 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.021 0.616 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.818 1.901 -6.539 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.353 -0.696 -4.946 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -0.827 -1.678 -6.797 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.270 1.972 -8.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.527 -1.306 -9.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.304 1.602 -11.063 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.496 0.029 -11.490 1.00 0.00 H new ATOM 1119 N GLY A 75 -2.958 4.288 -5.641 1.00 0.00 N ATOM 1120 CA GLY A 75 -1.973 5.238 -6.131 1.00 0.00 C ATOM 1121 C GLY A 75 -0.969 5.600 -5.035 1.00 0.00 C ATOM 1122 O GLY A 75 0.240 5.541 -5.252 1.00 0.00 O ATOM 0 H GLY A 75 -3.923 4.617 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.447 4.813 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.475 6.140 -6.482 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.507 5.968 -3.881 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.673 6.340 -2.751 1.00 0.00 C ATOM 1128 C LEU A 76 0.210 5.153 -2.362 1.00 0.00 C ATOM 1129 O LEU A 76 1.405 5.317 -2.119 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.533 6.869 -1.602 1.00 0.00 C ATOM 1131 CG LEU A 76 -1.935 8.343 -1.688 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -3.077 8.543 -2.686 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -2.278 8.900 -0.305 1.00 0.00 C ATOM 0 H LEU A 76 -2.510 6.016 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.006 7.158 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.441 6.268 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.992 6.714 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.080 8.908 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.343 9.599 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.759 8.210 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.943 7.963 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.560 9.949 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.109 8.336 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.410 8.813 0.348 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.411 3.984 -2.316 1.00 0.00 N ATOM 1146 CA VAL A 77 0.304 2.770 -1.960 1.00 0.00 C ATOM 1147 C VAL A 77 1.296 2.423 -3.072 1.00 0.00 C ATOM 1148 O VAL A 77 2.500 2.350 -2.834 1.00 0.00 O ATOM 1149 CB VAL A 77 -0.690 1.643 -1.673 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -0.737 1.321 -0.177 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -2.082 1.991 -2.203 1.00 0.00 C ATOM 0 H VAL A 77 -1.402 3.851 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 77 0.879 2.919 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.346 0.751 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.451 0.517 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.252 1.009 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.045 2.208 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.769 1.173 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.438 2.901 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.033 2.147 -3.281 1.00 0.00 H new ATOM 1161 N LEU A 78 0.753 2.219 -4.264 1.00 0.00 N ATOM 1162 CA LEU A 78 1.575 1.882 -5.413 1.00 0.00 C ATOM 1163 C LEU A 78 2.466 3.075 -5.765 1.00 0.00 C ATOM 1164 O LEU A 78 3.690 2.957 -5.781 1.00 0.00 O ATOM 1165 CB LEU A 78 0.702 1.404 -6.575 1.00 0.00 C ATOM 1166 CG LEU A 78 1.186 0.150 -7.305 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.512 0.411 -8.023 1.00 0.00 C ATOM 1168 CD2 LEU A 78 1.277 -1.041 -6.349 1.00 0.00 C ATOM 0 H LEU A 78 -0.246 2.281 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 78 2.236 1.048 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.302 1.215 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.621 2.214 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 78 0.451 -0.106 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.834 -0.496 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.380 1.210 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.268 0.705 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.623 -1.919 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.979 -0.811 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.294 -1.242 -5.924 1.00 0.00 H new ATOM 1180 N GLY A 79 1.817 4.198 -6.038 1.00 0.00 N ATOM 1181 CA GLY A 79 2.535 5.411 -6.388 1.00 0.00 C ATOM 1182 C GLY A 79 3.820 5.545 -5.567 1.00 0.00 C ATOM 1183 O GLY A 79 4.807 6.107 -6.039 1.00 0.00 O ATOM 0 H GLY A 79 0.802 4.293 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.778 5.400 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.897 6.278 -6.216 1.00 0.00 H new ATOM 1187 N ALA A 80 3.765 5.018 -4.353 1.00 0.00 N ATOM 1188 CA ALA A 80 4.911 5.072 -3.462 1.00 0.00 C ATOM 1189 C ALA A 80 5.993 4.116 -3.971 1.00 0.00 C ATOM 1190 O ALA A 80 7.159 4.492 -4.075 1.00 0.00 O ATOM 1191 CB ALA A 80 4.466 4.741 -2.036 1.00 0.00 C ATOM 0 H ALA A 80 2.945 4.552 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 80 5.337 6.075 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.326 4.782 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.719 5.465 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.035 3.740 -2.012 1.00 0.00 H new ATOM 1197 N LEU A 81 5.566 2.899 -4.275 1.00 0.00 N ATOM 1198 CA LEU A 81 6.483 1.887 -4.771 1.00 0.00 C ATOM 1199 C LEU A 81 7.257 2.448 -5.966 1.00 0.00 C ATOM 1200 O LEU A 81 8.470 2.269 -6.064 1.00 0.00 O ATOM 1201 CB LEU A 81 5.734 0.589 -5.078 1.00 0.00 C ATOM 1202 CG LEU A 81 6.345 -0.296 -6.167 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.592 -1.017 -5.651 1.00 0.00 C ATOM 1204 CD2 LEU A 81 5.307 -1.273 -6.725 1.00 0.00 C ATOM 0 H LEU A 81 4.598 2.591 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 81 7.217 1.631 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.666 0.006 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.715 0.841 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 81 6.661 0.344 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.007 -1.639 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.335 -0.282 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.324 -1.644 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.766 -1.890 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.939 -1.911 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.475 -0.714 -7.154 1.00 0.00 H new ATOM 1216 N LYS A 82 6.524 3.116 -6.845 1.00 0.00 N ATOM 1217 CA LYS A 82 7.126 3.704 -8.029 1.00 0.00 C ATOM 1218 C LYS A 82 8.005 4.886 -7.616 1.00 0.00 C ATOM 1219 O LYS A 82 8.925 5.263 -8.340 1.00 0.00 O ATOM 1220 CB LYS A 82 6.049 4.067 -9.054 1.00 0.00 C ATOM 1221 CG LYS A 82 5.818 2.918 -10.037 1.00 0.00 C ATOM 1222 CD LYS A 82 4.574 2.112 -9.656 1.00 0.00 C ATOM 1223 CE LYS A 82 4.943 0.672 -9.294 1.00 0.00 C ATOM 1224 NZ LYS A 82 6.173 0.258 -10.007 1.00 0.00 N ATOM 0 H LYS A 82 5.518 3.263 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 82 7.775 2.982 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.117 4.303 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.348 4.962 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.704 3.315 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.690 2.264 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.074 2.586 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.868 2.112 -10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.094 0.588 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.122 0.004 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.185 -0.777 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.192 0.696 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.007 0.564 -9.466 1.00 0.00 H new ATOM 1237 N ALA A 83 7.691 5.437 -6.453 1.00 0.00 N ATOM 1238 CA ALA A 83 8.441 6.569 -5.934 1.00 0.00 C ATOM 1239 C ALA A 83 9.824 6.095 -5.485 1.00 0.00 C ATOM 1240 O ALA A 83 10.809 6.817 -5.631 1.00 0.00 O ATOM 1241 CB ALA A 83 7.653 7.227 -4.800 1.00 0.00 C ATOM 0 H ALA A 83 6.927 5.121 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 83 8.586 7.322 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.215 8.076 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.691 7.572 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.491 6.503 -4.002 1.00 0.00 H new ATOM 1247 N ALA A 84 9.854 4.885 -4.947 1.00 0.00 N ATOM 1248 CA ALA A 84 11.101 4.307 -4.475 1.00 0.00 C ATOM 1249 C ALA A 84 12.054 4.125 -5.658 1.00 0.00 C ATOM 1250 O ALA A 84 13.211 4.538 -5.597 1.00 0.00 O ATOM 1251 CB ALA A 84 10.812 2.990 -3.752 1.00 0.00 C ATOM 0 H ALA A 84 9.035 4.289 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 84 11.586 4.972 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.747 2.556 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.155 3.178 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.328 2.296 -4.439 1.00 0.00 H new ATOM 1257 N ARG A 85 11.532 3.507 -6.708 1.00 0.00 N ATOM 1258 CA ARG A 85 12.322 3.266 -7.903 1.00 0.00 C ATOM 1259 C ARG A 85 12.685 4.591 -8.576 1.00 0.00 C ATOM 1260 O ARG A 85 13.677 4.674 -9.298 1.00 0.00 O ATOM 1261 CB ARG A 85 11.561 2.388 -8.898 1.00 0.00 C ATOM 1262 CG ARG A 85 12.170 0.987 -8.971 1.00 0.00 C ATOM 1263 CD ARG A 85 11.084 -0.074 -9.161 1.00 0.00 C ATOM 1264 NE ARG A 85 11.653 -1.267 -9.827 1.00 0.00 N ATOM 1265 CZ ARG A 85 10.920 -2.183 -10.495 1.00 0.00 C ATOM 1266 NH1 ARG A 85 9.580 -2.050 -10.591 1.00 0.00 N ATOM 1267 NH2 ARG A 85 11.533 -3.211 -11.052 1.00 0.00 N ATOM 0 H ARG A 85 10.572 3.166 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 85 13.232 2.748 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.515 2.318 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.582 2.849 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.880 0.938 -9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.728 0.781 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.663 -0.353 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.268 0.332 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 85 12.662 -1.406 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.114 -1.253 -10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.033 -2.746 -11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.546 -3.304 -10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.994 -3.912 -11.560 1.00 0.00 H new ATOM 1280 N GLU A 86 11.861 5.596 -8.315 1.00 0.00 N ATOM 1281 CA GLU A 86 12.082 6.913 -8.887 1.00 0.00 C ATOM 1282 C GLU A 86 13.175 7.651 -8.112 1.00 0.00 C ATOM 1283 O GLU A 86 13.951 8.408 -8.694 1.00 0.00 O ATOM 1284 CB GLU A 86 10.785 7.725 -8.912 1.00 0.00 C ATOM 1285 CG GLU A 86 10.150 7.700 -10.304 1.00 0.00 C ATOM 1286 CD GLU A 86 9.628 9.085 -10.693 1.00 0.00 C ATOM 1287 OE1 GLU A 86 8.715 9.609 -10.039 1.00 0.00 O ATOM 1288 OE2 GLU A 86 10.206 9.618 -11.716 1.00 0.00 O ATOM 0 H GLU A 86 11.039 5.524 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 86 12.414 6.789 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.084 7.321 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.991 8.755 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.884 7.365 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.331 6.981 -10.321 1.00 0.00 H new ATOM 1296 N GLU A 87 13.202 7.405 -6.810 1.00 0.00 N ATOM 1297 CA GLU A 87 14.188 8.037 -5.949 1.00 0.00 C ATOM 1298 C GLU A 87 14.775 7.014 -4.974 1.00 0.00 C ATOM 1299 O GLU A 87 14.526 7.083 -3.772 1.00 0.00 O ATOM 1300 CB GLU A 87 13.580 9.223 -5.198 1.00 0.00 C ATOM 1301 CG GLU A 87 14.669 10.185 -4.719 1.00 0.00 C ATOM 1302 CD GLU A 87 15.329 10.899 -5.901 1.00 0.00 C ATOM 1303 OE1 GLU A 87 14.700 11.061 -6.957 1.00 0.00 O ATOM 1304 OE2 GLU A 87 16.540 11.292 -5.693 1.00 0.00 O ATOM 0 H GLU A 87 12.557 6.777 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 87 14.995 8.420 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.883 9.752 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.007 8.862 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.237 10.921 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.422 9.635 -4.155 1.00 0.00 H new TER 1312 GLU A 87