USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 560 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 44 TYR OH : rot 99:sc= 0.0391 USER MOD Set 1.2: A 57 MET CE :methyl 163:sc= -1.44 (180deg=-2.79!) USER MOD Set 2.1: A 38 TYR OH : rot 9:sc= 1.57 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 179:sc= 0.744 (180deg=-0.0555) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0552) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -165:sc=-0.00419 (180deg=-0.122) USER MOD Single : A 7 TYR OH : rot -158:sc= 1.1 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0516) USER MOD Single : A 9 SER OG : rot 89:sc= 0.957 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.746 USER MOD Single : A 13 CYS SG : rot 180:sc= -3.78! USER MOD Single : A 14 HIS : no HD1:sc= -1.98 X(o=-2,f=-2.3) USER MOD Single : A 19 SER OG : rot 83:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0.684 (180deg=0.676) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.296) USER MOD Single : A 32 GLN : amide:sc= 1.15 K(o=1.1,f=-0.55) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0196) USER MOD Single : A 41 MET CE :methyl 141:sc= -1.29 (180deg=-5.08!) USER MOD Single : A 48 SER OG : rot -85:sc= 1.37 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -173:sc= -0.0203 (180deg=-0.166) USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 59 ASN : amide:sc= 0.232 X(o=0.23,f=-0.052) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 0.712 (180deg=0.581) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -102:sc=-0.00741 USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= 0.15 (180deg=0.0242) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -168:sc= -0.516 (180deg=-0.763) USER MOD Single : A 77 SER OG : rot -68:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0511) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.588 -9.852 -4.456 1.00 0.00 N ATOM 26 CA GLY A 3 1.963 -8.653 -3.724 1.00 0.00 C ATOM 27 C GLY A 3 3.110 -7.877 -4.375 1.00 0.00 C ATOM 28 O GLY A 3 3.009 -6.664 -4.535 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.094 -8.000 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.251 -8.931 -2.710 1.00 0.00 H new ATOM 32 N ALA A 4 4.193 -8.561 -4.763 1.00 0.00 N ATOM 33 CA ALA A 4 5.330 -7.914 -5.406 1.00 0.00 C ATOM 34 C ALA A 4 4.913 -7.249 -6.719 1.00 0.00 C ATOM 35 O ALA A 4 5.159 -6.060 -6.916 1.00 0.00 O ATOM 36 CB ALA A 4 6.466 -8.918 -5.628 1.00 0.00 C ATOM 0 H ALA A 4 4.300 -9.568 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 4 5.697 -7.130 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.306 -8.417 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.786 -9.323 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.115 -9.730 -6.265 1.00 0.00 H new ATOM 42 N ALA A 5 4.282 -8.014 -7.618 1.00 0.00 N ATOM 43 CA ALA A 5 3.806 -7.497 -8.893 1.00 0.00 C ATOM 44 C ALA A 5 2.930 -6.265 -8.668 1.00 0.00 C ATOM 45 O ALA A 5 3.125 -5.249 -9.328 1.00 0.00 O ATOM 46 CB ALA A 5 3.063 -8.585 -9.671 1.00 0.00 C ATOM 0 H ALA A 5 4.091 -9.006 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 5 4.662 -7.193 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.715 -8.180 -10.621 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.736 -9.422 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.208 -8.930 -9.089 1.00 0.00 H new ATOM 52 N LEU A 6 1.978 -6.343 -7.731 1.00 0.00 N ATOM 53 CA LEU A 6 1.147 -5.203 -7.386 1.00 0.00 C ATOM 54 C LEU A 6 2.030 -4.022 -6.965 1.00 0.00 C ATOM 55 O LEU A 6 1.915 -2.928 -7.522 1.00 0.00 O ATOM 56 CB LEU A 6 0.180 -5.578 -6.255 1.00 0.00 C ATOM 57 CG LEU A 6 -1.083 -6.299 -6.746 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.881 -7.736 -7.219 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.113 -6.333 -5.613 1.00 0.00 C ATOM 0 H LEU A 6 1.770 -7.190 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 6 0.563 -4.911 -8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.699 -6.217 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.111 -4.673 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.410 -5.727 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.836 -8.150 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.178 -7.749 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.485 -8.336 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.013 -6.844 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.696 -6.865 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.364 -5.314 -5.319 1.00 0.00 H new ATOM 71 N TYR A 7 2.919 -4.259 -5.993 1.00 0.00 N ATOM 72 CA TYR A 7 3.790 -3.247 -5.416 1.00 0.00 C ATOM 73 C TYR A 7 4.556 -2.440 -6.464 1.00 0.00 C ATOM 74 O TYR A 7 4.751 -1.241 -6.270 1.00 0.00 O ATOM 75 CB TYR A 7 4.734 -3.847 -4.370 1.00 0.00 C ATOM 76 CG TYR A 7 5.430 -2.775 -3.555 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.711 -2.073 -2.569 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.726 -2.353 -3.905 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.290 -0.966 -1.927 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.312 -1.261 -3.245 1.00 0.00 C ATOM 81 CZ TYR A 7 6.591 -0.562 -2.265 1.00 0.00 C ATOM 82 OH TYR A 7 7.150 0.505 -1.636 1.00 0.00 O ATOM 0 H TYR A 7 3.050 -5.183 -5.582 1.00 0.00 H new ATOM 0 HA TYR A 7 3.133 -2.539 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.170 -4.500 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.480 -4.467 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.712 -2.386 -2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.270 -2.869 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.735 -0.426 -1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.319 -0.959 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 7 7.871 0.871 -2.190 1.00 0.00 H new ATOM 92 N LYS A 8 4.980 -3.069 -7.568 1.00 0.00 N ATOM 93 CA LYS A 8 5.676 -2.370 -8.650 1.00 0.00 C ATOM 94 C LYS A 8 4.972 -1.057 -9.012 1.00 0.00 C ATOM 95 O LYS A 8 5.623 -0.036 -9.217 1.00 0.00 O ATOM 96 CB LYS A 8 5.793 -3.256 -9.897 1.00 0.00 C ATOM 97 CG LYS A 8 6.685 -4.481 -9.665 1.00 0.00 C ATOM 98 CD LYS A 8 6.744 -5.327 -10.944 1.00 0.00 C ATOM 99 CE LYS A 8 7.576 -6.600 -10.748 1.00 0.00 C ATOM 100 NZ LYS A 8 8.990 -6.296 -10.468 1.00 0.00 N ATOM 0 H LYS A 8 4.851 -4.067 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 8 6.678 -2.138 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.799 -3.586 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.197 -2.667 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.688 -4.164 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.294 -5.077 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.733 -5.597 -11.248 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.172 -4.734 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.160 -7.182 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.508 -7.219 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.540 -7.179 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.362 -5.664 -11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.068 -5.831 -9.541 1.00 0.00 H new ATOM 114 N SER A 9 3.638 -1.073 -9.059 1.00 0.00 N ATOM 115 CA SER A 9 2.836 0.100 -9.373 1.00 0.00 C ATOM 116 C SER A 9 3.070 1.232 -8.364 1.00 0.00 C ATOM 117 O SER A 9 3.102 2.410 -8.711 1.00 0.00 O ATOM 118 CB SER A 9 1.352 -0.298 -9.352 1.00 0.00 C ATOM 119 OG SER A 9 1.167 -1.612 -9.846 1.00 0.00 O ATOM 0 H SER A 9 3.084 -1.910 -8.878 1.00 0.00 H new ATOM 0 HA SER A 9 3.127 0.464 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.970 -0.232 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.776 0.404 -9.955 1.00 0.00 H new ATOM 0 HG SER A 9 1.250 -2.253 -9.109 1.00 0.00 H new ATOM 125 N CYS A 10 3.205 0.848 -7.096 1.00 0.00 N ATOM 126 CA CYS A 10 3.305 1.715 -5.934 1.00 0.00 C ATOM 127 C CYS A 10 4.697 2.328 -5.805 1.00 0.00 C ATOM 128 O CYS A 10 4.829 3.434 -5.272 1.00 0.00 O ATOM 129 CB CYS A 10 2.946 0.915 -4.677 1.00 0.00 C ATOM 130 SG CYS A 10 1.622 -0.318 -4.852 1.00 0.00 S ATOM 0 H CYS A 10 3.250 -0.139 -6.842 1.00 0.00 H new ATOM 0 HA CYS A 10 2.604 2.541 -6.055 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.844 0.404 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.657 1.618 -3.896 1.00 0.00 H new ATOM 0 HG CYS A 10 1.431 -0.915 -3.713 1.00 0.00 H new ATOM 135 N ILE A 11 5.731 1.624 -6.291 1.00 0.00 N ATOM 136 CA ILE A 11 7.114 2.108 -6.291 1.00 0.00 C ATOM 137 C ILE A 11 7.161 3.558 -6.776 1.00 0.00 C ATOM 138 O ILE A 11 7.908 4.360 -6.221 1.00 0.00 O ATOM 139 CB ILE A 11 8.031 1.208 -7.147 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.189 -0.162 -6.468 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.421 1.833 -7.362 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.070 -1.144 -7.246 1.00 0.00 C ATOM 0 H ILE A 11 5.626 0.695 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 11 7.489 2.067 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 11 7.561 1.096 -8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.614 -0.017 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.202 -0.604 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.031 1.164 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.315 2.790 -7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.904 1.988 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.132 -2.087 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.636 -1.321 -8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.069 -0.724 -7.360 1.00 0.00 H new ATOM 154 N GLY A 12 6.347 3.893 -7.782 1.00 0.00 N ATOM 155 CA GLY A 12 6.241 5.234 -8.334 1.00 0.00 C ATOM 156 C GLY A 12 6.138 6.329 -7.267 1.00 0.00 C ATOM 157 O GLY A 12 6.682 7.413 -7.468 1.00 0.00 O ATOM 0 H GLY A 12 5.733 3.220 -8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.111 5.430 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.365 5.284 -8.980 1.00 0.00 H new ATOM 161 N CYS A 13 5.453 6.063 -6.146 1.00 0.00 N ATOM 162 CA CYS A 13 5.268 7.032 -5.065 1.00 0.00 C ATOM 163 C CYS A 13 6.054 6.651 -3.809 1.00 0.00 C ATOM 164 O CYS A 13 6.539 7.524 -3.096 1.00 0.00 O ATOM 165 CB CYS A 13 3.780 7.131 -4.735 1.00 0.00 C ATOM 166 SG CYS A 13 3.329 8.502 -3.650 1.00 0.00 S ATOM 0 H CYS A 13 5.010 5.162 -5.966 1.00 0.00 H new ATOM 0 HA CYS A 13 5.648 7.995 -5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.222 7.226 -5.667 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.464 6.198 -4.268 1.00 0.00 H new ATOM 0 HG CYS A 13 2.046 8.487 -3.442 1.00 0.00 H new ATOM 171 N HIS A 14 6.197 5.348 -3.548 1.00 0.00 N ATOM 172 CA HIS A 14 6.804 4.810 -2.342 1.00 0.00 C ATOM 173 C HIS A 14 8.300 4.502 -2.428 1.00 0.00 C ATOM 174 O HIS A 14 9.020 4.619 -1.432 1.00 0.00 O ATOM 175 CB HIS A 14 6.034 3.532 -2.031 1.00 0.00 C ATOM 176 CG HIS A 14 4.741 3.829 -1.344 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.722 4.266 -0.037 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.434 3.855 -1.761 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.457 4.576 0.255 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.603 4.210 -0.700 1.00 0.00 N ATOM 0 H HIS A 14 5.882 4.623 -4.193 1.00 0.00 H new ATOM 0 HA HIS A 14 6.741 5.572 -1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.840 2.988 -2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.642 2.883 -1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.099 3.633 -2.763 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.158 5.070 1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.584 4.194 -0.663 1.00 0.00 H new ATOM 188 N GLY A 15 8.779 4.106 -3.603 1.00 0.00 N ATOM 189 CA GLY A 15 10.151 3.667 -3.778 1.00 0.00 C ATOM 190 C GLY A 15 10.260 2.180 -3.440 1.00 0.00 C ATOM 191 O GLY A 15 9.369 1.609 -2.809 1.00 0.00 O ATOM 0 H GLY A 15 8.224 4.082 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.471 3.841 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.814 4.246 -3.135 1.00 0.00 H new ATOM 195 N ALA A 16 11.350 1.543 -3.879 1.00 0.00 N ATOM 196 CA ALA A 16 11.581 0.120 -3.667 1.00 0.00 C ATOM 197 C ALA A 16 11.394 -0.253 -2.196 1.00 0.00 C ATOM 198 O ALA A 16 10.516 -1.039 -1.859 1.00 0.00 O ATOM 199 CB ALA A 16 12.977 -0.260 -4.171 1.00 0.00 C ATOM 0 H ALA A 16 12.098 2.007 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 16 10.844 -0.446 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.145 -1.325 -4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.053 -0.038 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.729 0.312 -3.627 1.00 0.00 H new ATOM 205 N ASP A 17 12.168 0.376 -1.310 1.00 0.00 N ATOM 206 CA ASP A 17 12.135 0.131 0.132 1.00 0.00 C ATOM 207 C ASP A 17 11.065 0.959 0.841 1.00 0.00 C ATOM 208 O ASP A 17 11.263 1.392 1.971 1.00 0.00 O ATOM 209 CB ASP A 17 13.522 0.428 0.700 1.00 0.00 C ATOM 210 CG ASP A 17 13.861 1.919 0.729 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.531 2.601 -0.268 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.454 2.353 1.740 1.00 0.00 O ATOM 0 H ASP A 17 12.850 1.085 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 17 11.870 -0.912 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.585 0.029 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.270 -0.095 0.104 1.00 0.00 H new ATOM 217 N GLY A 18 9.963 1.218 0.143 1.00 0.00 N ATOM 218 CA GLY A 18 8.794 1.961 0.595 1.00 0.00 C ATOM 219 C GLY A 18 9.099 3.058 1.612 1.00 0.00 C ATOM 220 O GLY A 18 8.572 3.020 2.725 1.00 0.00 O ATOM 0 H GLY A 18 9.857 0.892 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.307 2.410 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.082 1.262 1.035 1.00 0.00 H new ATOM 224 N SER A 19 9.918 4.041 1.222 1.00 0.00 N ATOM 225 CA SER A 19 10.369 5.110 2.101 1.00 0.00 C ATOM 226 C SER A 19 10.477 6.491 1.453 1.00 0.00 C ATOM 227 O SER A 19 10.723 7.449 2.184 1.00 0.00 O ATOM 228 CB SER A 19 11.750 4.742 2.653 1.00 0.00 C ATOM 229 OG SER A 19 11.676 3.636 3.522 1.00 0.00 O ATOM 0 H SER A 19 10.287 4.112 0.274 1.00 0.00 H new ATOM 0 HA SER A 19 9.603 5.193 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.425 4.514 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.171 5.596 3.183 1.00 0.00 H new ATOM 0 HG SER A 19 11.672 2.808 2.998 1.00 0.00 H new ATOM 235 N LYS A 20 10.356 6.642 0.127 1.00 0.00 N ATOM 236 CA LYS A 20 10.547 7.976 -0.435 1.00 0.00 C ATOM 237 C LYS A 20 9.362 8.885 -0.103 1.00 0.00 C ATOM 238 O LYS A 20 8.276 8.421 0.245 1.00 0.00 O ATOM 239 CB LYS A 20 10.910 7.933 -1.928 1.00 0.00 C ATOM 240 CG LYS A 20 9.716 7.806 -2.876 1.00 0.00 C ATOM 241 CD LYS A 20 10.216 7.669 -4.319 1.00 0.00 C ATOM 242 CE LYS A 20 9.029 7.529 -5.275 1.00 0.00 C ATOM 243 NZ LYS A 20 9.459 7.460 -6.681 1.00 0.00 N ATOM 0 H LYS A 20 10.139 5.901 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 20 11.416 8.427 0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.461 8.839 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.583 7.093 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.115 6.938 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.072 8.681 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.811 8.541 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.867 6.799 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.465 6.631 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.355 8.376 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.623 7.417 -7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.019 8.305 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.040 6.609 -6.825 1.00 0.00 H new ATOM 257 N ALA A 21 9.585 10.196 -0.207 1.00 0.00 N ATOM 258 CA ALA A 21 8.573 11.196 0.080 1.00 0.00 C ATOM 259 C ALA A 21 7.442 11.120 -0.947 1.00 0.00 C ATOM 260 O ALA A 21 7.511 11.752 -1.999 1.00 0.00 O ATOM 261 CB ALA A 21 9.219 12.585 0.103 1.00 0.00 C ATOM 0 H ALA A 21 10.481 10.589 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 21 8.137 11.003 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.459 13.336 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.989 12.616 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.670 12.793 -0.868 1.00 0.00 H new ATOM 267 N ALA A 22 6.415 10.324 -0.640 1.00 0.00 N ATOM 268 CA ALA A 22 5.203 10.222 -1.442 1.00 0.00 C ATOM 269 C ALA A 22 4.566 11.605 -1.616 1.00 0.00 C ATOM 270 O ALA A 22 4.951 12.549 -0.921 1.00 0.00 O ATOM 271 CB ALA A 22 4.227 9.264 -0.750 1.00 0.00 C ATOM 0 H ALA A 22 6.406 9.725 0.186 1.00 0.00 H new ATOM 0 HA ALA A 22 5.448 9.835 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.316 9.181 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.688 8.281 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.981 9.647 0.240 1.00 0.00 H new ATOM 277 N MET A 23 3.584 11.751 -2.521 1.00 0.00 N ATOM 278 CA MET A 23 2.985 13.067 -2.718 1.00 0.00 C ATOM 279 C MET A 23 2.447 13.591 -1.379 1.00 0.00 C ATOM 280 O MET A 23 1.653 12.921 -0.723 1.00 0.00 O ATOM 281 CB MET A 23 1.900 13.036 -3.799 1.00 0.00 C ATOM 282 CG MET A 23 2.389 12.363 -5.090 1.00 0.00 C ATOM 283 SD MET A 23 1.157 12.307 -6.416 1.00 0.00 S ATOM 284 CE MET A 23 2.099 11.404 -7.666 1.00 0.00 C ATOM 0 H MET A 23 3.205 11.004 -3.103 1.00 0.00 H new ATOM 0 HA MET A 23 3.752 13.754 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.028 12.503 -3.421 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.580 14.054 -4.020 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.270 12.894 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.703 11.345 -4.859 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.489 11.277 -8.560 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.000 11.964 -7.918 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.378 10.425 -7.275 1.00 0.00 H new ATOM 294 N GLY A 24 2.931 14.759 -0.950 1.00 0.00 N ATOM 295 CA GLY A 24 2.549 15.376 0.311 1.00 0.00 C ATOM 296 C GLY A 24 3.019 14.588 1.542 1.00 0.00 C ATOM 297 O GLY A 24 2.410 14.713 2.604 1.00 0.00 O ATOM 0 H GLY A 24 3.609 15.306 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.963 16.384 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.464 15.475 0.345 1.00 0.00 H new ATOM 301 N SER A 25 4.106 13.816 1.415 1.00 0.00 N ATOM 302 CA SER A 25 4.723 13.023 2.479 1.00 0.00 C ATOM 303 C SER A 25 3.836 11.875 2.982 1.00 0.00 C ATOM 304 O SER A 25 2.643 11.821 2.694 1.00 0.00 O ATOM 305 CB SER A 25 5.191 13.930 3.627 1.00 0.00 C ATOM 306 OG SER A 25 6.017 14.957 3.113 1.00 0.00 O ATOM 0 H SER A 25 4.599 13.725 0.527 1.00 0.00 H new ATOM 0 HA SER A 25 5.596 12.539 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.330 14.363 4.136 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.738 13.345 4.366 1.00 0.00 H new ATOM 0 HG SER A 25 6.314 15.536 3.846 1.00 0.00 H new ATOM 312 N ALA A 26 4.438 10.940 3.730 1.00 0.00 N ATOM 313 CA ALA A 26 3.770 9.762 4.272 1.00 0.00 C ATOM 314 C ALA A 26 4.697 9.065 5.267 1.00 0.00 C ATOM 315 O ALA A 26 5.911 9.249 5.167 1.00 0.00 O ATOM 316 CB ALA A 26 3.517 8.789 3.118 1.00 0.00 C ATOM 0 H ALA A 26 5.426 10.989 3.977 1.00 0.00 H new ATOM 0 HA ALA A 26 2.842 10.055 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.017 7.897 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.886 9.268 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.467 8.507 2.665 1.00 0.00 H new ATOM 322 N LYS A 27 4.164 8.270 6.208 1.00 0.00 N ATOM 323 CA LYS A 27 5.041 7.418 7.010 1.00 0.00 C ATOM 324 C LYS A 27 5.666 6.425 6.036 1.00 0.00 C ATOM 325 O LYS A 27 5.001 6.019 5.079 1.00 0.00 O ATOM 326 CB LYS A 27 4.320 6.580 8.083 1.00 0.00 C ATOM 327 CG LYS A 27 3.410 7.393 9.002 1.00 0.00 C ATOM 328 CD LYS A 27 3.142 6.681 10.338 1.00 0.00 C ATOM 329 CE LYS A 27 2.367 5.366 10.176 1.00 0.00 C ATOM 330 NZ LYS A 27 1.003 5.594 9.666 1.00 0.00 N ATOM 0 H LYS A 27 3.169 8.202 6.424 1.00 0.00 H new ATOM 0 HA LYS A 27 5.741 8.070 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.726 5.811 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.066 6.067 8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.867 8.364 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.463 7.582 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.093 6.477 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.581 7.348 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.905 4.709 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.315 4.854 11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.478 4.696 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.515 6.281 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.053 5.966 8.696 1.00 0.00 H new ATOM 344 N PRO A 28 6.916 6.004 6.243 1.00 0.00 N ATOM 345 CA PRO A 28 7.483 5.008 5.373 1.00 0.00 C ATOM 346 C PRO A 28 6.732 3.699 5.599 1.00 0.00 C ATOM 347 O PRO A 28 6.333 3.364 6.715 1.00 0.00 O ATOM 348 CB PRO A 28 8.964 4.930 5.755 1.00 0.00 C ATOM 349 CG PRO A 28 8.958 5.333 7.232 1.00 0.00 C ATOM 350 CD PRO A 28 7.838 6.374 7.302 1.00 0.00 C ATOM 0 HA PRO A 28 7.397 5.238 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.366 3.927 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.572 5.606 5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.758 4.481 7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.917 5.751 7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.347 6.361 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.226 7.382 7.154 1.00 0.00 H new ATOM 358 N VAL A 29 6.507 2.985 4.504 1.00 0.00 N ATOM 359 CA VAL A 29 5.817 1.711 4.475 1.00 0.00 C ATOM 360 C VAL A 29 6.801 0.615 4.880 1.00 0.00 C ATOM 361 O VAL A 29 6.379 -0.401 5.430 1.00 0.00 O ATOM 362 CB VAL A 29 5.240 1.512 3.067 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.252 0.357 3.006 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.440 2.741 2.649 1.00 0.00 C ATOM 0 H VAL A 29 6.813 3.292 3.581 1.00 0.00 H new ATOM 0 HA VAL A 29 4.987 1.675 5.180 1.00 0.00 H new ATOM 0 HB VAL A 29 6.096 1.323 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.872 0.257 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.753 -0.566 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.423 0.551 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.035 2.589 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.622 2.899 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.091 3.616 2.648 1.00 0.00 H new ATOM 374 N LYS A 30 8.094 0.859 4.612 1.00 0.00 N ATOM 375 CA LYS A 30 9.244 0.025 4.933 1.00 0.00 C ATOM 376 C LYS A 30 8.972 -0.832 6.173 1.00 0.00 C ATOM 377 O LYS A 30 9.108 -0.368 7.305 1.00 0.00 O ATOM 378 CB LYS A 30 10.465 0.935 5.134 1.00 0.00 C ATOM 379 CG LYS A 30 11.809 0.240 4.879 1.00 0.00 C ATOM 380 CD LYS A 30 12.135 -0.857 5.901 1.00 0.00 C ATOM 381 CE LYS A 30 13.578 -1.353 5.746 1.00 0.00 C ATOM 382 NZ LYS A 30 13.884 -1.718 4.351 1.00 0.00 N ATOM 0 H LYS A 30 8.375 1.712 4.128 1.00 0.00 H new ATOM 0 HA LYS A 30 9.440 -0.665 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.379 1.793 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.454 1.320 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.799 -0.196 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.603 0.986 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.987 -0.472 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.446 -1.692 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.267 -0.576 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.737 -2.217 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.622 -2.451 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.025 -2.083 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.221 -0.878 3.838 1.00 0.00 H new ATOM 396 N GLY A 31 8.543 -2.068 5.937 1.00 0.00 N ATOM 397 CA GLY A 31 8.200 -3.071 6.916 1.00 0.00 C ATOM 398 C GLY A 31 7.536 -2.549 8.186 1.00 0.00 C ATOM 399 O GLY A 31 7.985 -2.895 9.276 1.00 0.00 O ATOM 0 H GLY A 31 8.420 -2.411 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.533 -3.796 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.107 -3.607 7.195 1.00 0.00 H new ATOM 403 N GLN A 32 6.455 -1.760 8.059 1.00 0.00 N ATOM 404 CA GLN A 32 5.715 -1.291 9.255 1.00 0.00 C ATOM 405 C GLN A 32 5.396 -2.492 10.152 1.00 0.00 C ATOM 406 O GLN A 32 5.698 -2.546 11.341 1.00 0.00 O ATOM 407 CB GLN A 32 4.413 -0.519 8.944 1.00 0.00 C ATOM 408 CG GLN A 32 4.543 0.475 7.793 1.00 0.00 C ATOM 409 CD GLN A 32 3.391 1.477 7.708 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.236 1.101 7.878 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.679 2.744 7.408 1.00 0.00 N ATOM 0 H GLN A 32 6.078 -1.438 7.168 1.00 0.00 H new ATOM 0 HA GLN A 32 6.370 -0.578 9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.626 -1.235 8.706 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.097 0.016 9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.480 1.021 7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.602 -0.076 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.649 3.028 7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.929 3.429 7.314 1.00 0.00 H new ATOM 420 N GLY A 33 4.762 -3.452 9.496 1.00 0.00 N ATOM 421 CA GLY A 33 4.413 -4.789 9.970 1.00 0.00 C ATOM 422 C GLY A 33 3.318 -5.354 9.096 1.00 0.00 C ATOM 423 O GLY A 33 2.513 -4.601 8.567 1.00 0.00 O ATOM 0 H GLY A 33 4.450 -3.306 8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.288 -5.438 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.081 -4.745 11.007 1.00 0.00 H new ATOM 427 N ALA A 34 3.265 -6.673 8.939 1.00 0.00 N ATOM 428 CA ALA A 34 2.269 -7.296 8.088 1.00 0.00 C ATOM 429 C ALA A 34 0.853 -7.012 8.574 1.00 0.00 C ATOM 430 O ALA A 34 -0.016 -6.713 7.767 1.00 0.00 O ATOM 431 CB ALA A 34 2.539 -8.789 8.013 1.00 0.00 C ATOM 0 H ALA A 34 3.903 -7.328 9.392 1.00 0.00 H new ATOM 0 HA ALA A 34 2.345 -6.868 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.793 -9.262 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.532 -8.959 7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.486 -9.219 9.013 1.00 0.00 H new ATOM 437 N GLU A 35 0.622 -7.089 9.884 1.00 0.00 N ATOM 438 CA GLU A 35 -0.673 -6.829 10.486 1.00 0.00 C ATOM 439 C GLU A 35 -1.096 -5.396 10.155 1.00 0.00 C ATOM 440 O GLU A 35 -2.163 -5.161 9.589 1.00 0.00 O ATOM 441 CB GLU A 35 -0.572 -7.037 12.005 1.00 0.00 C ATOM 442 CG GLU A 35 -0.363 -8.507 12.413 1.00 0.00 C ATOM 443 CD GLU A 35 1.025 -9.069 12.100 1.00 0.00 C ATOM 444 OE1 GLU A 35 1.967 -8.254 11.972 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.119 -10.309 11.982 1.00 0.00 O ATOM 0 H GLU A 35 1.343 -7.338 10.561 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.424 -7.514 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.255 -6.440 12.391 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.481 -6.664 12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.545 -8.602 13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.110 -9.119 11.908 1.00 0.00 H new ATOM 452 N GLU A 36 -0.214 -4.457 10.510 1.00 0.00 N ATOM 453 CA GLU A 36 -0.357 -3.033 10.266 1.00 0.00 C ATOM 454 C GLU A 36 -0.719 -2.806 8.802 1.00 0.00 C ATOM 455 O GLU A 36 -1.770 -2.258 8.480 1.00 0.00 O ATOM 456 CB GLU A 36 0.983 -2.346 10.591 1.00 0.00 C ATOM 457 CG GLU A 36 1.283 -2.280 12.091 1.00 0.00 C ATOM 458 CD GLU A 36 0.369 -1.290 12.804 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.600 -0.075 12.621 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.551 -1.764 13.505 1.00 0.00 O ATOM 0 H GLU A 36 0.653 -4.686 10.995 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.146 -2.617 10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.789 -2.882 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.972 -1.334 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.161 -3.270 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.323 -1.990 12.242 1.00 0.00 H new ATOM 467 N LEU A 37 0.180 -3.240 7.923 1.00 0.00 N ATOM 468 CA LEU A 37 0.070 -3.087 6.488 1.00 0.00 C ATOM 469 C LEU A 37 -1.222 -3.703 5.965 1.00 0.00 C ATOM 470 O LEU A 37 -1.875 -3.091 5.134 1.00 0.00 O ATOM 471 CB LEU A 37 1.291 -3.728 5.824 1.00 0.00 C ATOM 472 CG LEU A 37 2.586 -2.921 6.040 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.794 -3.813 5.753 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.644 -1.709 5.113 1.00 0.00 C ATOM 0 H LEU A 37 1.032 -3.724 8.207 1.00 0.00 H new ATOM 0 HA LEU A 37 0.040 -2.025 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.426 -4.735 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.106 -3.828 4.755 1.00 0.00 H new ATOM 0 HG LEU A 37 2.599 -2.575 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.711 -3.244 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.782 -4.669 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.751 -4.163 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.569 -1.160 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.612 -2.042 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.792 -1.058 5.311 1.00 0.00 H new ATOM 486 N TYR A 38 -1.597 -4.902 6.409 1.00 0.00 N ATOM 487 CA TYR A 38 -2.833 -5.546 5.979 1.00 0.00 C ATOM 488 C TYR A 38 -4.013 -4.665 6.310 1.00 0.00 C ATOM 489 O TYR A 38 -4.820 -4.337 5.450 1.00 0.00 O ATOM 490 CB TYR A 38 -3.033 -6.898 6.667 1.00 0.00 C ATOM 491 CG TYR A 38 -4.175 -7.742 6.111 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.376 -7.877 4.720 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.074 -8.365 6.997 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.482 -8.593 4.227 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.152 -9.118 6.501 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.352 -9.242 5.118 1.00 0.00 C ATOM 497 OH TYR A 38 -7.407 -9.977 4.659 1.00 0.00 O ATOM 0 H TYR A 38 -1.053 -5.451 7.075 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.760 -5.704 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.108 -7.469 6.588 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.212 -6.726 7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.677 -7.428 4.030 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.935 -8.264 8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.662 -8.644 3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.830 -9.603 7.188 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.339 -10.075 3.686 1.00 0.00 H new ATOM 507 N LYS A 39 -4.106 -4.312 7.585 1.00 0.00 N ATOM 508 CA LYS A 39 -5.186 -3.471 8.081 1.00 0.00 C ATOM 509 C LYS A 39 -5.287 -2.177 7.278 1.00 0.00 C ATOM 510 O LYS A 39 -6.339 -1.838 6.742 1.00 0.00 O ATOM 511 CB LYS A 39 -4.956 -3.177 9.569 1.00 0.00 C ATOM 512 CG LYS A 39 -6.108 -2.420 10.247 1.00 0.00 C ATOM 513 CD LYS A 39 -7.442 -3.173 10.150 1.00 0.00 C ATOM 514 CE LYS A 39 -8.519 -2.540 11.040 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.822 -1.155 10.638 1.00 0.00 N ATOM 0 H LYS A 39 -3.439 -4.599 8.301 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.132 -4.000 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.797 -4.119 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.041 -2.594 9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.863 -2.255 11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.214 -1.438 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.783 -3.177 9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.295 -4.213 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.428 -3.139 10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.185 -2.552 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.590 -0.781 11.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.974 -0.565 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.117 -1.140 9.641 1.00 0.00 H new ATOM 529 N LYS A 40 -4.179 -1.448 7.213 1.00 0.00 N ATOM 530 CA LYS A 40 -4.070 -0.182 6.506 1.00 0.00 C ATOM 531 C LYS A 40 -4.404 -0.336 5.016 1.00 0.00 C ATOM 532 O LYS A 40 -5.207 0.426 4.478 1.00 0.00 O ATOM 533 CB LYS A 40 -2.644 0.336 6.709 1.00 0.00 C ATOM 534 CG LYS A 40 -2.420 0.805 8.155 1.00 0.00 C ATOM 535 CD LYS A 40 -0.920 0.891 8.472 1.00 0.00 C ATOM 536 CE LYS A 40 -0.656 1.353 9.909 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.193 2.702 10.159 1.00 0.00 N ATOM 0 H LYS A 40 -3.309 -1.731 7.664 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.791 0.532 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.931 -0.451 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.454 1.162 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.884 1.780 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.904 0.114 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.461 -0.085 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.443 1.582 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.108 0.647 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.417 1.348 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.784 3.081 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.947 3.326 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.228 2.652 10.252 1.00 0.00 H new ATOM 551 N MET A 41 -3.797 -1.317 4.343 1.00 0.00 N ATOM 552 CA MET A 41 -3.998 -1.550 2.921 1.00 0.00 C ATOM 553 C MET A 41 -5.436 -1.987 2.636 1.00 0.00 C ATOM 554 O MET A 41 -6.028 -1.568 1.644 1.00 0.00 O ATOM 555 CB MET A 41 -2.888 -2.437 2.327 1.00 0.00 C ATOM 556 CG MET A 41 -3.028 -3.967 2.386 1.00 0.00 C ATOM 557 SD MET A 41 -4.100 -4.641 1.119 1.00 0.00 S ATOM 558 CE MET A 41 -3.275 -3.978 -0.348 1.00 0.00 C ATOM 0 H MET A 41 -3.149 -1.973 4.778 1.00 0.00 H new ATOM 0 HA MET A 41 -3.889 -0.611 2.378 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.774 -2.160 1.279 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.957 -2.175 2.829 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.040 -4.417 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.415 -4.250 3.365 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.284 -4.727 -1.140 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.799 -3.085 -0.688 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.244 -3.722 -0.102 1.00 0.00 H new ATOM 568 N LYS A 42 -6.018 -2.786 3.532 1.00 0.00 N ATOM 569 CA LYS A 42 -7.425 -3.148 3.463 1.00 0.00 C ATOM 570 C LYS A 42 -8.244 -1.867 3.635 1.00 0.00 C ATOM 571 O LYS A 42 -9.220 -1.665 2.922 1.00 0.00 O ATOM 572 CB LYS A 42 -7.767 -4.200 4.528 1.00 0.00 C ATOM 573 CG LYS A 42 -9.247 -4.610 4.473 1.00 0.00 C ATOM 574 CD LYS A 42 -9.633 -5.559 5.618 1.00 0.00 C ATOM 575 CE LYS A 42 -8.898 -6.903 5.582 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.136 -7.624 4.319 1.00 0.00 N ATOM 0 H LYS A 42 -5.523 -3.197 4.323 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.661 -3.600 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.141 -5.080 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.536 -3.804 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.871 -3.717 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.452 -5.094 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.427 -5.068 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.707 -5.742 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.828 -6.736 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.226 -7.519 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.609 -8.520 4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.152 -7.821 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.816 -7.040 3.520 1.00 0.00 H new ATOM 590 N GLY A 43 -7.850 -1.007 4.578 1.00 0.00 N ATOM 591 CA GLY A 43 -8.467 0.285 4.827 1.00 0.00 C ATOM 592 C GLY A 43 -8.529 1.097 3.536 1.00 0.00 C ATOM 593 O GLY A 43 -9.588 1.612 3.171 1.00 0.00 O ATOM 0 H GLY A 43 -7.069 -1.203 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.472 0.146 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.897 0.829 5.580 1.00 0.00 H new ATOM 597 N TYR A 44 -7.386 1.208 2.853 1.00 0.00 N ATOM 598 CA TYR A 44 -7.272 1.874 1.573 1.00 0.00 C ATOM 599 C TYR A 44 -8.204 1.204 0.562 1.00 0.00 C ATOM 600 O TYR A 44 -9.047 1.874 -0.018 1.00 0.00 O ATOM 601 CB TYR A 44 -5.813 1.832 1.089 1.00 0.00 C ATOM 602 CG TYR A 44 -4.865 2.863 1.675 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.197 4.227 1.615 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.589 2.490 2.143 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.374 5.178 2.237 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.718 3.462 2.665 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.125 4.799 2.748 1.00 0.00 C ATOM 608 OH TYR A 44 -2.283 5.740 3.261 1.00 0.00 O ATOM 0 H TYR A 44 -6.502 0.826 3.190 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.566 2.918 1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.412 0.841 1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.812 1.947 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.086 4.544 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.280 1.456 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.703 6.203 2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.733 3.177 3.003 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.353 5.744 4.238 1.00 0.00 H new ATOM 618 N ALA A 45 -8.076 -0.110 0.354 1.00 0.00 N ATOM 619 CA ALA A 45 -8.895 -0.858 -0.599 1.00 0.00 C ATOM 620 C ALA A 45 -10.388 -0.630 -0.365 1.00 0.00 C ATOM 621 O ALA A 45 -11.137 -0.403 -1.308 1.00 0.00 O ATOM 622 CB ALA A 45 -8.537 -2.345 -0.546 1.00 0.00 C ATOM 0 H ALA A 45 -7.395 -0.687 0.847 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.677 -0.487 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.153 -2.893 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.485 -2.475 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.718 -2.727 0.459 1.00 0.00 H new ATOM 628 N ASP A 46 -10.825 -0.696 0.891 1.00 0.00 N ATOM 629 CA ASP A 46 -12.203 -0.446 1.280 1.00 0.00 C ATOM 630 C ASP A 46 -12.567 1.014 0.997 1.00 0.00 C ATOM 631 O ASP A 46 -13.664 1.299 0.524 1.00 0.00 O ATOM 632 CB ASP A 46 -12.369 -0.786 2.764 1.00 0.00 C ATOM 633 CG ASP A 46 -13.751 -0.398 3.273 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.709 -1.129 2.943 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.815 0.623 3.992 1.00 0.00 O ATOM 0 H ASP A 46 -10.218 -0.929 1.677 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.879 -1.074 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.211 -1.854 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.607 -0.267 3.345 1.00 0.00 H new ATOM 640 N GLY A 47 -11.643 1.928 1.298 1.00 0.00 N ATOM 641 CA GLY A 47 -11.797 3.360 1.099 1.00 0.00 C ATOM 642 C GLY A 47 -12.106 4.078 2.410 1.00 0.00 C ATOM 643 O GLY A 47 -12.582 5.210 2.391 1.00 0.00 O ATOM 0 H GLY A 47 -10.739 1.678 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.884 3.768 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.599 3.545 0.384 1.00 0.00 H new ATOM 647 N SER A 48 -11.839 3.437 3.551 1.00 0.00 N ATOM 648 CA SER A 48 -12.039 4.004 4.866 1.00 0.00 C ATOM 649 C SER A 48 -10.769 4.762 5.233 1.00 0.00 C ATOM 650 O SER A 48 -10.798 5.962 5.498 1.00 0.00 O ATOM 651 CB SER A 48 -12.307 2.856 5.842 1.00 0.00 C ATOM 652 OG SER A 48 -11.705 1.658 5.389 1.00 0.00 O ATOM 0 H SER A 48 -11.469 2.487 3.575 1.00 0.00 H new ATOM 0 HA SER A 48 -12.886 4.689 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.919 3.113 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.382 2.709 5.951 1.00 0.00 H new ATOM 0 HG SER A 48 -12.309 1.204 4.765 1.00 0.00 H new ATOM 658 N TYR A 49 -9.638 4.051 5.239 1.00 0.00 N ATOM 659 CA TYR A 49 -8.347 4.649 5.537 1.00 0.00 C ATOM 660 C TYR A 49 -7.889 5.450 4.316 1.00 0.00 C ATOM 661 O TYR A 49 -6.946 5.046 3.652 1.00 0.00 O ATOM 662 CB TYR A 49 -7.316 3.563 5.916 1.00 0.00 C ATOM 663 CG TYR A 49 -6.002 4.118 6.440 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.007 4.973 7.557 1.00 0.00 C ATOM 665 CD2 TYR A 49 -4.791 3.859 5.766 1.00 0.00 C ATOM 666 CE1 TYR A 49 -4.826 5.620 7.953 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.600 4.478 6.191 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.624 5.371 7.277 1.00 0.00 C ATOM 669 OH TYR A 49 -2.504 6.022 7.693 1.00 0.00 O ATOM 0 H TYR A 49 -9.598 3.052 5.038 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.436 5.317 6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.751 2.911 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.115 2.945 5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.921 5.132 8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.777 3.185 4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.844 6.312 8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.670 4.267 5.684 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.744 5.754 7.136 1.00 0.00 H new ATOM 679 N GLY A 50 -8.541 6.567 3.986 1.00 0.00 N ATOM 680 CA GLY A 50 -8.152 7.347 2.820 1.00 0.00 C ATOM 681 C GLY A 50 -8.733 8.759 2.840 1.00 0.00 C ATOM 682 O GLY A 50 -9.351 9.172 3.819 1.00 0.00 O ATOM 0 H GLY A 50 -9.332 6.945 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.065 7.406 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.483 6.834 1.917 1.00 0.00 H new ATOM 686 N GLY A 51 -8.512 9.493 1.746 1.00 0.00 N ATOM 687 CA GLY A 51 -8.899 10.880 1.547 1.00 0.00 C ATOM 688 C GLY A 51 -7.847 11.570 0.671 1.00 0.00 C ATOM 689 O GLY A 51 -6.736 11.063 0.517 1.00 0.00 O ATOM 0 H GLY A 51 -8.031 9.107 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.879 10.933 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.982 11.389 2.507 1.00 0.00 H new ATOM 693 N GLU A 52 -8.181 12.725 0.090 1.00 0.00 N ATOM 694 CA GLU A 52 -7.301 13.495 -0.768 1.00 0.00 C ATOM 695 C GLU A 52 -6.678 12.580 -1.838 1.00 0.00 C ATOM 696 O GLU A 52 -7.350 11.757 -2.461 1.00 0.00 O ATOM 697 CB GLU A 52 -6.251 14.220 0.106 1.00 0.00 C ATOM 698 CG GLU A 52 -6.833 15.042 1.264 1.00 0.00 C ATOM 699 CD GLU A 52 -5.738 15.711 2.099 1.00 0.00 C ATOM 700 OE1 GLU A 52 -4.550 15.370 1.892 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.113 16.555 2.941 1.00 0.00 O ATOM 0 H GLU A 52 -9.098 13.155 0.212 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.858 14.262 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.565 13.478 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.663 14.881 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.503 15.805 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.432 14.394 1.904 1.00 0.00 H new ATOM 708 N ARG A 53 -5.361 12.697 -1.986 1.00 0.00 N ATOM 709 CA ARG A 53 -4.513 11.945 -2.899 1.00 0.00 C ATOM 710 C ARG A 53 -4.714 10.439 -2.754 1.00 0.00 C ATOM 711 O ARG A 53 -4.600 9.690 -3.725 1.00 0.00 O ATOM 712 CB ARG A 53 -3.049 12.315 -2.607 1.00 0.00 C ATOM 713 CG ARG A 53 -2.523 11.675 -1.308 1.00 0.00 C ATOM 714 CD ARG A 53 -1.360 12.474 -0.721 1.00 0.00 C ATOM 715 NE ARG A 53 -1.848 13.480 0.236 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.175 13.901 1.318 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.092 13.520 1.518 1.00 0.00 N ATOM 718 NH2 ARG A 53 -1.783 14.708 2.193 1.00 0.00 N ATOM 0 H ARG A 53 -4.825 13.365 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.780 12.203 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.425 11.998 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.960 13.399 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.330 11.615 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.199 10.654 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.664 11.799 -0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.809 12.965 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.767 13.888 0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.552 12.906 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.598 13.844 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.748 14.997 2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.282 15.035 3.019 1.00 0.00 H new ATOM 732 N LYS A 54 -5.030 9.996 -1.533 1.00 0.00 N ATOM 733 CA LYS A 54 -5.165 8.593 -1.211 1.00 0.00 C ATOM 734 C LYS A 54 -6.335 7.965 -1.969 1.00 0.00 C ATOM 735 O LYS A 54 -6.465 6.746 -1.967 1.00 0.00 O ATOM 736 CB LYS A 54 -5.223 8.399 0.310 1.00 0.00 C ATOM 737 CG LYS A 54 -4.132 9.216 1.030 1.00 0.00 C ATOM 738 CD LYS A 54 -3.995 8.862 2.515 1.00 0.00 C ATOM 739 CE LYS A 54 -3.216 9.943 3.272 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.085 9.603 4.700 1.00 0.00 N ATOM 0 H LYS A 54 -5.199 10.616 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.281 8.053 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.204 8.698 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.102 7.342 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.176 9.050 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.360 10.278 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.985 8.746 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.486 7.904 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.226 10.058 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.725 10.901 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.553 10.352 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.031 9.517 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.578 8.700 4.797 1.00 0.00 H new ATOM 754 N ALA A 55 -7.180 8.768 -2.630 1.00 0.00 N ATOM 755 CA ALA A 55 -8.213 8.257 -3.518 1.00 0.00 C ATOM 756 C ALA A 55 -7.572 7.440 -4.653 1.00 0.00 C ATOM 757 O ALA A 55 -8.098 6.398 -5.047 1.00 0.00 O ATOM 758 CB ALA A 55 -9.025 9.424 -4.083 1.00 0.00 C ATOM 0 H ALA A 55 -7.161 9.785 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.882 7.602 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.799 9.041 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.490 9.974 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.366 10.090 -4.639 1.00 0.00 H new ATOM 764 N MET A 56 -6.422 7.895 -5.169 1.00 0.00 N ATOM 765 CA MET A 56 -5.706 7.201 -6.234 1.00 0.00 C ATOM 766 C MET A 56 -5.302 5.813 -5.733 1.00 0.00 C ATOM 767 O MET A 56 -5.650 4.790 -6.321 1.00 0.00 O ATOM 768 CB MET A 56 -4.483 8.040 -6.637 1.00 0.00 C ATOM 769 CG MET A 56 -3.724 7.445 -7.830 1.00 0.00 C ATOM 770 SD MET A 56 -2.113 8.199 -8.184 1.00 0.00 S ATOM 771 CE MET A 56 -2.578 9.937 -8.351 1.00 0.00 C ATOM 0 H MET A 56 -5.967 8.753 -4.857 1.00 0.00 H new ATOM 0 HA MET A 56 -6.336 7.074 -7.114 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.807 9.051 -6.885 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.807 8.122 -5.786 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.576 6.380 -7.650 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.350 7.534 -8.718 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.718 10.513 -8.692 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.387 10.029 -9.076 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.911 10.319 -7.386 1.00 0.00 H new ATOM 781 N MET A 57 -4.566 5.807 -4.622 1.00 0.00 N ATOM 782 CA MET A 57 -4.089 4.618 -3.938 1.00 0.00 C ATOM 783 C MET A 57 -5.272 3.686 -3.661 1.00 0.00 C ATOM 784 O MET A 57 -5.206 2.505 -3.985 1.00 0.00 O ATOM 785 CB MET A 57 -3.359 5.083 -2.675 1.00 0.00 C ATOM 786 CG MET A 57 -2.808 3.962 -1.786 1.00 0.00 C ATOM 787 SD MET A 57 -1.724 4.539 -0.442 1.00 0.00 S ATOM 788 CE MET A 57 -2.314 6.214 -0.122 1.00 0.00 C ATOM 0 H MET A 57 -4.277 6.669 -4.159 1.00 0.00 H new ATOM 0 HA MET A 57 -3.387 4.040 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.533 5.729 -2.970 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.043 5.691 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.644 3.413 -1.353 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.254 3.259 -2.408 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.950 6.549 0.849 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.945 6.884 -0.898 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.404 6.222 -0.123 1.00 0.00 H new ATOM 798 N THR A 58 -6.359 4.228 -3.102 1.00 0.00 N ATOM 799 CA THR A 58 -7.598 3.511 -2.833 1.00 0.00 C ATOM 800 C THR A 58 -8.045 2.775 -4.093 1.00 0.00 C ATOM 801 O THR A 58 -8.181 1.554 -4.070 1.00 0.00 O ATOM 802 CB THR A 58 -8.671 4.491 -2.324 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.309 4.958 -1.040 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.093 3.918 -2.300 1.00 0.00 C ATOM 0 H THR A 58 -6.396 5.207 -2.818 1.00 0.00 H new ATOM 0 HA THR A 58 -7.438 2.768 -2.052 1.00 0.00 H new ATOM 0 HB THR A 58 -8.702 5.312 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.629 5.658 -1.126 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.784 4.675 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.384 3.625 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.123 3.047 -1.646 1.00 0.00 H new ATOM 812 N ASN A 59 -8.251 3.490 -5.206 1.00 0.00 N ATOM 813 CA ASN A 59 -8.683 2.835 -6.436 1.00 0.00 C ATOM 814 C ASN A 59 -7.664 1.781 -6.869 1.00 0.00 C ATOM 815 O ASN A 59 -8.059 0.709 -7.321 1.00 0.00 O ATOM 816 CB ASN A 59 -8.924 3.847 -7.560 1.00 0.00 C ATOM 817 CG ASN A 59 -9.788 3.310 -8.711 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.417 4.100 -9.405 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.874 2.000 -8.954 1.00 0.00 N ATOM 0 H ASN A 59 -8.128 4.500 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.632 2.340 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.404 4.732 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.962 4.166 -7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.462 1.660 -9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.352 1.339 -8.379 1.00 0.00 H new ATOM 826 N ALA A 60 -6.367 2.070 -6.753 1.00 0.00 N ATOM 827 CA ALA A 60 -5.345 1.109 -7.137 1.00 0.00 C ATOM 828 C ALA A 60 -5.502 -0.192 -6.339 1.00 0.00 C ATOM 829 O ALA A 60 -5.700 -1.254 -6.928 1.00 0.00 O ATOM 830 CB ALA A 60 -3.952 1.728 -6.999 1.00 0.00 C ATOM 0 H ALA A 60 -6.006 2.956 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.471 0.848 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.198 0.996 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.877 2.603 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.787 2.026 -5.964 1.00 0.00 H new ATOM 836 N VAL A 61 -5.457 -0.131 -5.004 1.00 0.00 N ATOM 837 CA VAL A 61 -5.601 -1.344 -4.205 1.00 0.00 C ATOM 838 C VAL A 61 -7.009 -1.947 -4.314 1.00 0.00 C ATOM 839 O VAL A 61 -7.149 -3.157 -4.153 1.00 0.00 O ATOM 840 CB VAL A 61 -5.133 -1.160 -2.752 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.609 -1.019 -2.679 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.758 0.030 -2.027 1.00 0.00 C ATOM 0 H VAL A 61 -5.325 0.726 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.923 -2.080 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.471 -2.063 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.305 -0.890 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.141 -1.915 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.296 -0.151 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.370 0.081 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.510 0.950 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.841 -0.090 -1.996 1.00 0.00 H new ATOM 852 N LYS A 62 -8.047 -1.158 -4.628 1.00 0.00 N ATOM 853 CA LYS A 62 -9.402 -1.676 -4.829 1.00 0.00 C ATOM 854 C LYS A 62 -9.384 -2.786 -5.888 1.00 0.00 C ATOM 855 O LYS A 62 -10.201 -3.702 -5.833 1.00 0.00 O ATOM 856 CB LYS A 62 -10.351 -0.533 -5.244 1.00 0.00 C ATOM 857 CG LYS A 62 -11.829 -0.920 -5.437 1.00 0.00 C ATOM 858 CD LYS A 62 -12.612 -1.052 -4.124 1.00 0.00 C ATOM 859 CE LYS A 62 -13.025 0.318 -3.566 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.720 0.179 -2.275 1.00 0.00 N ATOM 0 H LYS A 62 -7.968 -0.148 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.768 -2.099 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.297 0.250 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.984 -0.103 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.312 -0.170 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.880 -1.866 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.501 -1.660 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.002 -1.575 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.142 0.944 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.676 0.823 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.192 1.075 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.429 -0.579 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.030 -0.057 -1.533 1.00 0.00 H new ATOM 874 N LYS A 63 -8.462 -2.717 -6.857 1.00 0.00 N ATOM 875 CA LYS A 63 -8.390 -3.720 -7.909 1.00 0.00 C ATOM 876 C LYS A 63 -7.919 -5.092 -7.390 1.00 0.00 C ATOM 877 O LYS A 63 -8.107 -6.098 -8.070 1.00 0.00 O ATOM 878 CB LYS A 63 -7.466 -3.253 -9.046 1.00 0.00 C ATOM 879 CG LYS A 63 -7.719 -1.826 -9.555 1.00 0.00 C ATOM 880 CD LYS A 63 -9.189 -1.477 -9.815 1.00 0.00 C ATOM 881 CE LYS A 63 -9.801 -2.350 -10.917 1.00 0.00 C ATOM 882 NZ LYS A 63 -11.196 -1.965 -11.190 1.00 0.00 N ATOM 0 H LYS A 63 -7.762 -1.978 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.405 -3.841 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.433 -3.321 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.570 -3.943 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.318 -1.121 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.159 -1.682 -10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.759 -1.602 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.268 -0.427 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.210 -2.256 -11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.762 -3.397 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.584 -2.573 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.763 -2.078 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.228 -0.972 -11.498 1.00 0.00 H new ATOM 896 N ALA A 64 -7.270 -5.141 -6.221 1.00 0.00 N ATOM 897 CA ALA A 64 -6.690 -6.349 -5.653 1.00 0.00 C ATOM 898 C ALA A 64 -7.724 -7.161 -4.868 1.00 0.00 C ATOM 899 O ALA A 64 -8.536 -6.603 -4.135 1.00 0.00 O ATOM 900 CB ALA A 64 -5.526 -5.926 -4.753 1.00 0.00 C ATOM 0 H ALA A 64 -7.134 -4.318 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.337 -6.998 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.068 -6.811 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.784 -5.391 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.896 -5.275 -3.961 1.00 0.00 H new ATOM 906 N SER A 65 -7.676 -8.491 -5.011 1.00 0.00 N ATOM 907 CA SER A 65 -8.553 -9.411 -4.282 1.00 0.00 C ATOM 908 C SER A 65 -7.902 -9.760 -2.942 1.00 0.00 C ATOM 909 O SER A 65 -6.718 -9.496 -2.762 1.00 0.00 O ATOM 910 CB SER A 65 -8.826 -10.671 -5.109 1.00 0.00 C ATOM 911 OG SER A 65 -9.770 -11.478 -4.430 1.00 0.00 O ATOM 0 H SER A 65 -7.024 -8.960 -5.639 1.00 0.00 H new ATOM 0 HA SER A 65 -9.514 -8.931 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.204 -10.399 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.901 -11.226 -5.265 1.00 0.00 H new ATOM 0 HG SER A 65 -9.307 -12.218 -3.984 1.00 0.00 H new ATOM 917 N ASP A 66 -8.631 -10.393 -2.018 1.00 0.00 N ATOM 918 CA ASP A 66 -8.123 -10.693 -0.678 1.00 0.00 C ATOM 919 C ASP A 66 -6.730 -11.324 -0.690 1.00 0.00 C ATOM 920 O ASP A 66 -5.860 -10.917 0.073 1.00 0.00 O ATOM 921 CB ASP A 66 -9.106 -11.555 0.121 1.00 0.00 C ATOM 922 CG ASP A 66 -8.580 -11.814 1.534 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.180 -10.826 2.193 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.574 -12.999 1.930 1.00 0.00 O ATOM 0 H ASP A 66 -9.587 -10.711 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.026 -9.730 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.074 -11.056 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.265 -12.504 -0.392 1.00 0.00 H new ATOM 929 N GLU A 67 -6.512 -12.310 -1.559 1.00 0.00 N ATOM 930 CA GLU A 67 -5.260 -12.999 -1.714 1.00 0.00 C ATOM 931 C GLU A 67 -4.128 -12.005 -1.971 1.00 0.00 C ATOM 932 O GLU A 67 -3.091 -12.022 -1.309 1.00 0.00 O ATOM 933 CB GLU A 67 -5.450 -13.972 -2.880 1.00 0.00 C ATOM 934 CG GLU A 67 -6.296 -15.209 -2.525 1.00 0.00 C ATOM 935 CD GLU A 67 -7.767 -14.904 -2.246 1.00 0.00 C ATOM 936 OE1 GLU A 67 -8.290 -13.977 -2.905 1.00 0.00 O ATOM 937 OE2 GLU A 67 -8.334 -15.586 -1.367 1.00 0.00 O ATOM 0 H GLU A 67 -7.236 -12.653 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.981 -13.542 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.924 -13.445 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.471 -14.301 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.234 -15.925 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.864 -15.691 -1.648 1.00 0.00 H new ATOM 944 N GLU A 68 -4.356 -11.123 -2.939 1.00 0.00 N ATOM 945 CA GLU A 68 -3.443 -10.107 -3.350 1.00 0.00 C ATOM 946 C GLU A 68 -3.237 -9.111 -2.208 1.00 0.00 C ATOM 947 O GLU A 68 -2.103 -8.775 -1.898 1.00 0.00 O ATOM 948 CB GLU A 68 -4.074 -9.442 -4.568 1.00 0.00 C ATOM 949 CG GLU A 68 -4.322 -10.325 -5.803 1.00 0.00 C ATOM 950 CD GLU A 68 -3.060 -10.755 -6.551 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.951 -10.532 -6.023 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.228 -11.293 -7.669 1.00 0.00 O ATOM 0 H GLU A 68 -5.226 -11.112 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.461 -10.508 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.028 -9.014 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.434 -8.612 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.863 -11.218 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.970 -9.785 -6.494 1.00 0.00 H new ATOM 959 N LEU A 69 -4.324 -8.638 -1.590 1.00 0.00 N ATOM 960 CA LEU A 69 -4.283 -7.715 -0.459 1.00 0.00 C ATOM 961 C LEU A 69 -3.349 -8.271 0.625 1.00 0.00 C ATOM 962 O LEU A 69 -2.374 -7.619 1.012 1.00 0.00 O ATOM 963 CB LEU A 69 -5.702 -7.461 0.106 1.00 0.00 C ATOM 964 CG LEU A 69 -6.712 -6.738 -0.813 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.076 -6.647 -0.116 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.328 -5.307 -1.200 1.00 0.00 C ATOM 0 H LEU A 69 -5.272 -8.892 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.895 -6.756 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.130 -8.423 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.601 -6.878 1.021 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.730 -7.339 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.785 -6.136 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.441 -7.651 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.973 -6.089 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.099 -4.885 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.236 -4.699 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.376 -5.317 -1.731 1.00 0.00 H new ATOM 978 N LYS A 70 -3.625 -9.498 1.086 1.00 0.00 N ATOM 979 CA LYS A 70 -2.811 -10.177 2.086 1.00 0.00 C ATOM 980 C LYS A 70 -1.362 -10.203 1.616 1.00 0.00 C ATOM 981 O LYS A 70 -0.455 -9.793 2.337 1.00 0.00 O ATOM 982 CB LYS A 70 -3.321 -11.608 2.322 1.00 0.00 C ATOM 983 CG LYS A 70 -4.644 -11.616 3.096 1.00 0.00 C ATOM 984 CD LYS A 70 -5.180 -13.026 3.377 1.00 0.00 C ATOM 985 CE LYS A 70 -5.420 -13.824 2.090 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.270 -15.002 2.334 1.00 0.00 N ATOM 0 H LYS A 70 -4.426 -10.045 0.770 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.879 -9.636 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.457 -12.109 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.572 -12.175 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.505 -11.093 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.390 -11.058 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.471 -13.563 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.113 -12.953 3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.891 -13.182 1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.464 -14.144 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.056 -15.737 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.085 -15.372 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.271 -14.730 2.257 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.154 -10.658 0.381 1.00 0.00 N ATOM 1001 CA ALA A 71 0.174 -10.745 -0.184 1.00 0.00 C ATOM 1002 C ALA A 71 0.867 -9.389 -0.291 1.00 0.00 C ATOM 1003 O ALA A 71 2.087 -9.337 -0.150 1.00 0.00 O ATOM 1004 CB ALA A 71 0.107 -11.453 -1.537 1.00 0.00 C ATOM 0 H ALA A 71 -1.898 -10.971 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 71 0.789 -11.332 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.108 -11.519 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.297 -12.456 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.538 -10.889 -2.211 1.00 0.00 H new ATOM 1010 N LEU A 72 0.143 -8.289 -0.532 1.00 0.00 N ATOM 1011 CA LEU A 72 0.756 -6.990 -0.657 1.00 0.00 C ATOM 1012 C LEU A 72 1.310 -6.633 0.717 1.00 0.00 C ATOM 1013 O LEU A 72 2.456 -6.204 0.830 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.290 -5.996 -1.185 1.00 0.00 C ATOM 1015 CG LEU A 72 0.194 -5.192 -2.404 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.928 -4.263 -2.871 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.465 -4.373 -2.168 1.00 0.00 C ATOM 0 H LEU A 72 -0.871 -8.288 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 72 1.579 -6.968 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.195 -6.541 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.559 -5.305 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 72 0.452 -5.928 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.590 -3.691 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.800 -4.856 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.194 -3.580 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.730 -3.841 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.291 -3.655 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.281 -5.040 -1.887 1.00 0.00 H new ATOM 1029 N ALA A 73 0.505 -6.853 1.763 1.00 0.00 N ATOM 1030 CA ALA A 73 0.933 -6.635 3.135 1.00 0.00 C ATOM 1031 C ALA A 73 2.153 -7.499 3.455 1.00 0.00 C ATOM 1032 O ALA A 73 3.177 -6.976 3.889 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.224 -6.912 4.091 1.00 0.00 C ATOM 0 H ALA A 73 -0.455 -7.185 1.675 1.00 0.00 H new ATOM 0 HA ALA A 73 1.229 -5.593 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.104 -6.747 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.053 -6.242 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.551 -7.946 3.977 1.00 0.00 H new ATOM 1039 N ASP A 74 2.057 -8.816 3.235 1.00 0.00 N ATOM 1040 CA ASP A 74 3.156 -9.746 3.466 1.00 0.00 C ATOM 1041 C ASP A 74 4.425 -9.266 2.757 1.00 0.00 C ATOM 1042 O ASP A 74 5.499 -9.264 3.350 1.00 0.00 O ATOM 1043 CB ASP A 74 2.784 -11.161 2.997 1.00 0.00 C ATOM 1044 CG ASP A 74 1.558 -11.740 3.700 1.00 0.00 C ATOM 1045 OD1 ASP A 74 1.383 -11.441 4.901 1.00 0.00 O ATOM 1046 OD2 ASP A 74 0.820 -12.488 3.021 1.00 0.00 O ATOM 0 H ASP A 74 1.208 -9.263 2.890 1.00 0.00 H new ATOM 0 HA ASP A 74 3.349 -9.781 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.600 -11.141 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.633 -11.824 3.163 1.00 0.00 H new ATOM 1051 N TYR A 75 4.318 -8.851 1.493 1.00 0.00 N ATOM 1052 CA TYR A 75 5.460 -8.342 0.749 1.00 0.00 C ATOM 1053 C TYR A 75 6.025 -7.099 1.444 1.00 0.00 C ATOM 1054 O TYR A 75 7.174 -7.086 1.885 1.00 0.00 O ATOM 1055 CB TYR A 75 5.038 -8.038 -0.695 1.00 0.00 C ATOM 1056 CG TYR A 75 6.183 -7.602 -1.585 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.176 -8.530 -1.948 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.303 -6.258 -1.984 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.281 -8.120 -2.715 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.404 -5.854 -2.758 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.390 -6.782 -3.125 1.00 0.00 C ATOM 1062 OH TYR A 75 9.448 -6.378 -3.883 1.00 0.00 O ATOM 0 H TYR A 75 3.445 -8.860 0.966 1.00 0.00 H new ATOM 0 HA TYR A 75 6.248 -9.094 0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.575 -8.927 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.279 -7.256 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.089 -9.561 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.551 -5.539 -1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.044 -8.833 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.492 -4.824 -3.072 1.00 0.00 H new ATOM 0 HH TYR A 75 9.364 -5.421 -4.078 1.00 0.00 H new ATOM 1072 N MET A 76 5.193 -6.061 1.562 1.00 0.00 N ATOM 1073 CA MET A 76 5.560 -4.796 2.188 1.00 0.00 C ATOM 1074 C MET A 76 6.152 -4.990 3.592 1.00 0.00 C ATOM 1075 O MET A 76 6.982 -4.193 4.018 1.00 0.00 O ATOM 1076 CB MET A 76 4.357 -3.838 2.210 1.00 0.00 C ATOM 1077 CG MET A 76 4.073 -3.206 0.841 1.00 0.00 C ATOM 1078 SD MET A 76 2.712 -2.007 0.777 1.00 0.00 S ATOM 1079 CE MET A 76 1.319 -2.995 1.368 1.00 0.00 C ATOM 0 H MET A 76 4.233 -6.080 1.219 1.00 0.00 H new ATOM 0 HA MET A 76 6.347 -4.346 1.582 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.473 -4.381 2.545 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.541 -3.048 2.938 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.981 -2.711 0.497 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.858 -4.006 0.133 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.388 -2.460 1.181 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.301 -3.949 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.427 -3.173 2.438 1.00 0.00 H new ATOM 1089 N SER A 77 5.747 -6.031 4.327 1.00 0.00 N ATOM 1090 CA SER A 77 6.243 -6.282 5.662 1.00 0.00 C ATOM 1091 C SER A 77 7.729 -6.647 5.713 1.00 0.00 C ATOM 1092 O SER A 77 8.320 -6.564 6.788 1.00 0.00 O ATOM 1093 CB SER A 77 5.376 -7.353 6.319 1.00 0.00 C ATOM 1094 OG SER A 77 5.753 -8.670 5.981 1.00 0.00 O ATOM 0 H SER A 77 5.065 -6.717 4.003 1.00 0.00 H new ATOM 0 HA SER A 77 6.170 -5.349 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.426 -7.236 7.402 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.337 -7.196 6.029 1.00 0.00 H new ATOM 0 HG SER A 77 5.558 -8.834 5.035 1.00 0.00 H new ATOM 1100 N LYS A 78 8.327 -7.061 4.589 1.00 0.00 N ATOM 1101 CA LYS A 78 9.720 -7.483 4.539 1.00 0.00 C ATOM 1102 C LYS A 78 10.340 -6.758 3.352 1.00 0.00 C ATOM 1103 O LYS A 78 10.850 -7.374 2.418 1.00 0.00 O ATOM 1104 CB LYS A 78 9.765 -9.016 4.428 1.00 0.00 C ATOM 1105 CG LYS A 78 11.176 -9.582 4.633 1.00 0.00 C ATOM 1106 CD LYS A 78 11.142 -11.115 4.548 1.00 0.00 C ATOM 1107 CE LYS A 78 12.542 -11.726 4.685 1.00 0.00 C ATOM 1108 NZ LYS A 78 13.136 -11.455 6.006 1.00 0.00 N ATOM 0 H LYS A 78 7.851 -7.110 3.688 1.00 0.00 H new ATOM 0 HA LYS A 78 10.289 -7.230 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.093 -9.450 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.396 -9.316 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.851 -9.182 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.564 -9.271 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.496 -11.508 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.706 -11.416 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.484 -12.803 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.191 -11.324 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.027 -11.982 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.325 -10.437 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.476 -11.754 6.752 1.00 0.00 H new ATOM 1122 N LEU A 79 10.264 -5.431 3.394 1.00 0.00 N ATOM 1123 CA LEU A 79 10.636 -4.548 2.335 1.00 0.00 C ATOM 1124 C LEU A 79 10.927 -3.218 3.021 1.00 0.00 C ATOM 1125 O LEU A 79 11.873 -2.523 2.596 1.00 0.00 O ATOM 1126 CB LEU A 79 9.375 -4.459 1.481 1.00 0.00 C ATOM 1127 CG LEU A 79 9.533 -3.550 0.280 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.403 -4.231 -0.782 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.141 -3.256 -0.275 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.183 -2.945 3.991 1.00 0.00 O ATOM 0 H LEU A 79 9.922 -4.935 4.217 1.00 0.00 H new ATOM 0 HA LEU A 79 11.493 -4.847 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.103 -5.458 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.551 -4.098 2.097 1.00 0.00 H new ATOM 0 HG LEU A 79 10.022 -2.619 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.511 -3.570 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.386 -4.446 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.931 -5.162 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.226 -2.602 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.662 -4.190 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.540 -2.766 0.491 1.00 0.00 H new