USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 437 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 147 CYS SG : rot -72:sc= -1.03! USER MOD Set 1.2: A 150 CYS SG : rot -120:sc= -5.77! USER MOD Set 1.3: A 168 CYS SG : rot 75:sc= -0.536 USER MOD Set 1.4: A 171 CYS SG : rot 119:sc= 0.415 USER MOD Set 2.1: A 120 CYS SG : rot 146:sc= -0.776! USER MOD Set 2.2: A 123 CYS SG : rot 76:sc= 0.172 USER MOD Set 2.3: A 141 HIS : no HE2:sc= -5.31! C(o=-9.5!,f=-9.1!) USER MOD Set 2.4: A 144 CYS SG : rot -25:sc= -3.57! USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0769) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 163:sc= -0.0697 (180deg=-0.533) USER MOD Single : A 138 LYS NZ :NH3+ 167:sc= -0.0172 (180deg=-0.223) USER MOD Single : A 142 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.02) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 158 ASN : amide:sc= -4.12! C(o=-4.1!,f=-14!) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.03) USER MOD Single : A 167 TYR OH : rot 165:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00259) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0398) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.856 3.854 -0.091 1.00 0.89 N ATOM 2 CA LYS A 119 14.158 2.501 -0.532 1.00 0.80 C ATOM 3 C LYS A 119 12.959 1.574 -0.407 1.00 0.78 C ATOM 4 O LYS A 119 12.059 1.795 0.405 1.00 0.90 O ATOM 5 CB LYS A 119 15.303 1.898 0.284 1.00 0.93 C ATOM 6 CG LYS A 119 16.691 2.390 -0.084 1.00 1.51 C ATOM 7 CD LYS A 119 17.743 1.468 0.508 1.00 1.54 C ATOM 8 CE LYS A 119 19.154 1.926 0.191 1.00 2.16 C ATOM 9 NZ LYS A 119 19.481 3.220 0.844 1.00 2.76 N ATOM 0 HA LYS A 119 14.441 2.585 -1.581 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.128 2.111 1.338 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.277 0.814 0.170 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.797 2.427 -1.168 1.00 1.51 H new ATOM 0 HG3 LYS A 119 16.836 3.405 0.286 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.613 1.419 1.589 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.596 0.459 0.124 1.00 1.54 H new ATOM 0 HE2 LYS A 119 19.864 1.166 0.518 1.00 2.16 H new ATOM 0 HE3 LYS A 119 19.269 2.026 -0.888 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 20.492 3.429 0.714 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 18.913 3.978 0.416 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.268 3.160 1.860 1.00 2.76 H new ATOM 23 N CYS A 120 12.982 0.534 -1.227 1.00 0.70 N ATOM 24 CA CYS A 120 12.092 -0.598 -1.099 1.00 0.72 C ATOM 25 C CYS A 120 12.746 -1.636 -0.198 1.00 0.76 C ATOM 26 O CYS A 120 13.746 -2.258 -0.584 1.00 0.80 O ATOM 27 CB CYS A 120 11.811 -1.207 -2.477 1.00 0.67 C ATOM 28 SG CYS A 120 11.110 -2.888 -2.427 1.00 0.74 S ATOM 0 H CYS A 120 13.631 0.457 -2.010 1.00 0.70 H new ATOM 0 HA CYS A 120 11.146 -0.273 -0.665 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.123 -0.555 -3.016 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.740 -1.230 -3.047 1.00 0.67 H new ATOM 0 HG CYS A 120 10.283 -3.043 -3.418 1.00 0.74 H new ATOM 33 N PRO A 121 12.210 -1.820 1.020 1.00 0.79 N ATOM 34 CA PRO A 121 12.738 -2.789 1.982 1.00 0.87 C ATOM 35 C PRO A 121 12.429 -4.228 1.582 1.00 0.90 C ATOM 36 O PRO A 121 12.866 -5.176 2.234 1.00 1.00 O ATOM 37 CB PRO A 121 12.018 -2.434 3.284 1.00 0.96 C ATOM 38 CG PRO A 121 10.748 -1.785 2.852 1.00 1.00 C ATOM 39 CD PRO A 121 11.053 -1.077 1.561 1.00 0.82 C ATOM 0 HA PRO A 121 13.824 -2.737 2.054 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.824 -3.323 3.884 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.618 -1.761 3.897 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.961 -2.526 2.712 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.394 -1.082 3.607 1.00 1.00 H new ATOM 0 HD2 PRO A 121 10.204 -1.105 0.878 1.00 0.82 H new ATOM 0 HD3 PRO A 121 11.293 -0.027 1.727 1.00 0.82 H new ATOM 47 N ARG A 122 11.673 -4.386 0.506 1.00 0.86 N ATOM 48 CA ARG A 122 11.312 -5.704 0.017 1.00 0.94 C ATOM 49 C ARG A 122 12.462 -6.280 -0.792 1.00 0.90 C ATOM 50 O ARG A 122 12.994 -7.345 -0.470 1.00 1.05 O ATOM 51 CB ARG A 122 10.048 -5.621 -0.845 1.00 0.98 C ATOM 52 CG ARG A 122 9.441 -6.971 -1.195 1.00 0.97 C ATOM 53 CD ARG A 122 8.975 -7.704 0.052 1.00 1.11 C ATOM 54 NE ARG A 122 8.079 -8.815 -0.263 1.00 1.54 N ATOM 55 CZ ARG A 122 6.888 -8.982 0.306 1.00 1.95 C ATOM 56 NH1 ARG A 122 6.466 -8.119 1.214 1.00 2.03 N ATOM 57 NH2 ARG A 122 6.125 -10.010 -0.032 1.00 2.82 N ATOM 0 H ARG A 122 11.298 -3.614 -0.045 1.00 0.86 H new ATOM 0 HA ARG A 122 11.110 -6.357 0.866 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.302 -5.025 -0.319 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.286 -5.092 -1.768 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.599 -6.829 -1.873 1.00 0.97 H new ATOM 0 HG3 ARG A 122 10.177 -7.578 -1.723 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.842 -8.081 0.595 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.464 -7.004 0.713 1.00 1.11 H new ATOM 0 HE ARG A 122 8.383 -9.499 -0.956 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.053 -7.327 1.477 1.00 2.03 H new ATOM 0 HH12 ARG A 122 5.553 -8.245 1.652 1.00 2.03 H new ATOM 0 HH21 ARG A 122 6.450 -10.678 -0.731 1.00 2.82 H new ATOM 0 HH22 ARG A 122 5.213 -10.134 0.407 1.00 2.82 H new ATOM 71 N CYS A 123 12.859 -5.552 -1.824 1.00 0.76 N ATOM 72 CA CYS A 123 13.931 -5.999 -2.695 1.00 0.78 C ATOM 73 C CYS A 123 15.290 -5.525 -2.184 1.00 0.76 C ATOM 74 O CYS A 123 16.306 -6.199 -2.362 1.00 0.86 O ATOM 75 CB CYS A 123 13.700 -5.476 -4.110 1.00 0.77 C ATOM 76 SG CYS A 123 12.001 -5.728 -4.721 1.00 0.88 S ATOM 0 H CYS A 123 12.455 -4.650 -2.077 1.00 0.76 H new ATOM 0 HA CYS A 123 13.931 -7.089 -2.703 1.00 0.78 H new ATOM 0 HB2 CYS A 123 13.931 -4.411 -4.136 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.397 -5.970 -4.788 1.00 0.77 H new ATOM 0 HG CYS A 123 11.207 -4.861 -4.166 1.00 0.88 H new ATOM 81 N GLY A 124 15.293 -4.368 -1.534 1.00 0.70 N ATOM 82 CA GLY A 124 16.533 -3.782 -1.063 1.00 0.73 C ATOM 83 C GLY A 124 17.129 -2.849 -2.095 1.00 0.71 C ATOM 84 O GLY A 124 18.339 -2.836 -2.314 1.00 0.85 O ATOM 0 H GLY A 124 14.456 -3.824 -1.324 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.351 -3.235 -0.138 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.246 -4.573 -0.830 1.00 0.73 H new ATOM 88 N LYS A 125 16.268 -2.068 -2.730 1.00 0.61 N ATOM 89 CA LYS A 125 16.680 -1.190 -3.823 1.00 0.61 C ATOM 90 C LYS A 125 16.094 0.200 -3.622 1.00 0.57 C ATOM 91 O LYS A 125 15.163 0.366 -2.843 1.00 0.60 O ATOM 92 CB LYS A 125 16.212 -1.758 -5.169 1.00 0.63 C ATOM 93 CG LYS A 125 16.848 -3.089 -5.534 1.00 1.30 C ATOM 94 CD LYS A 125 16.348 -3.592 -6.878 1.00 1.71 C ATOM 95 CE LYS A 125 16.984 -4.920 -7.249 1.00 2.44 C ATOM 96 NZ LYS A 125 16.482 -5.436 -8.552 1.00 2.99 N ATOM 0 H LYS A 125 15.274 -2.022 -2.508 1.00 0.61 H new ATOM 0 HA LYS A 125 17.768 -1.125 -3.826 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.129 -1.880 -5.143 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.433 -1.034 -5.954 1.00 0.63 H new ATOM 0 HG2 LYS A 125 17.932 -2.980 -5.565 1.00 1.30 H new ATOM 0 HG3 LYS A 125 16.624 -3.825 -4.762 1.00 1.30 H new ATOM 0 HD2 LYS A 125 15.264 -3.703 -6.845 1.00 1.71 H new ATOM 0 HD3 LYS A 125 16.569 -2.854 -7.649 1.00 1.71 H new ATOM 0 HE2 LYS A 125 18.066 -4.802 -7.299 1.00 2.44 H new ATOM 0 HE3 LYS A 125 16.779 -5.651 -6.467 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 16.942 -6.344 -8.766 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 15.453 -5.574 -8.497 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 16.700 -4.751 -9.304 1.00 2.99 H new ATOM 110 N SER A 126 16.623 1.191 -4.325 1.00 0.66 N ATOM 111 CA SER A 126 16.147 2.561 -4.183 1.00 0.68 C ATOM 112 C SER A 126 14.934 2.815 -5.076 1.00 0.57 C ATOM 113 O SER A 126 14.919 2.427 -6.246 1.00 0.66 O ATOM 114 CB SER A 126 17.264 3.547 -4.522 1.00 0.89 C ATOM 115 OG SER A 126 18.380 3.370 -3.662 1.00 1.37 O ATOM 0 H SER A 126 17.380 1.073 -4.998 1.00 0.66 H new ATOM 0 HA SER A 126 15.845 2.708 -3.146 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.574 3.409 -5.558 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.892 4.568 -4.434 1.00 0.89 H new ATOM 0 HG SER A 126 19.082 4.011 -3.900 1.00 1.37 H new ATOM 121 N VAL A 127 13.922 3.468 -4.520 1.00 0.52 N ATOM 122 CA VAL A 127 12.704 3.778 -5.258 1.00 0.45 C ATOM 123 C VAL A 127 12.431 5.266 -5.189 1.00 0.58 C ATOM 124 O VAL A 127 12.399 5.839 -4.104 1.00 0.80 O ATOM 125 CB VAL A 127 11.478 3.039 -4.684 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.280 3.188 -5.609 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.795 1.578 -4.436 1.00 0.71 C ATOM 0 H VAL A 127 13.921 3.795 -3.554 1.00 0.52 H new ATOM 0 HA VAL A 127 12.859 3.454 -6.287 1.00 0.45 H new ATOM 0 HB VAL A 127 11.224 3.493 -3.726 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.426 2.659 -5.186 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.035 4.244 -5.720 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.520 2.767 -6.585 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.915 1.078 -4.031 1.00 0.71 H new ATOM 0 HG22 VAL A 127 12.082 1.104 -5.374 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.616 1.500 -3.724 1.00 0.71 H new ATOM 137 N TYR A 128 12.232 5.904 -6.329 1.00 0.60 N ATOM 138 CA TYR A 128 11.964 7.326 -6.324 1.00 0.78 C ATOM 139 C TYR A 128 10.572 7.621 -6.882 1.00 0.58 C ATOM 140 O TYR A 128 9.850 6.706 -7.276 1.00 0.48 O ATOM 141 CB TYR A 128 13.049 8.096 -7.081 1.00 1.14 C ATOM 142 CG TYR A 128 13.171 9.537 -6.632 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.886 9.890 -5.318 1.00 2.80 C ATOM 144 CD2 TYR A 128 13.561 10.540 -7.510 1.00 2.76 C ATOM 145 CE1 TYR A 128 12.984 11.193 -4.891 1.00 3.75 C ATOM 146 CE2 TYR A 128 13.664 11.852 -7.090 1.00 3.69 C ATOM 147 CZ TYR A 128 13.373 12.173 -5.776 1.00 4.06 C ATOM 148 OH TYR A 128 13.476 13.479 -5.353 1.00 5.08 O ATOM 0 H TYR A 128 12.251 5.469 -7.251 1.00 0.60 H new ATOM 0 HA TYR A 128 11.984 7.670 -5.290 1.00 0.78 H new ATOM 0 HB2 TYR A 128 14.007 7.595 -6.942 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.828 8.071 -8.148 1.00 1.14 H new ATOM 0 HD1 TYR A 128 12.582 9.125 -4.619 1.00 2.80 H new ATOM 0 HD2 TYR A 128 13.787 10.291 -8.536 1.00 2.76 H new ATOM 0 HE1 TYR A 128 12.757 11.447 -3.866 1.00 3.75 H new ATOM 0 HE2 TYR A 128 13.970 12.622 -7.783 1.00 3.69 H new ATOM 0 HH TYR A 128 13.763 14.043 -6.101 1.00 5.08 H new ATOM 158 N ALA A 129 10.235 8.908 -6.934 1.00 0.69 N ATOM 159 CA ALA A 129 8.865 9.386 -7.150 1.00 0.74 C ATOM 160 C ALA A 129 8.163 8.760 -8.352 1.00 0.75 C ATOM 161 O ALA A 129 6.946 8.574 -8.315 1.00 0.87 O ATOM 162 CB ALA A 129 8.868 10.898 -7.288 1.00 0.95 C ATOM 0 H ALA A 129 10.914 9.662 -6.826 1.00 0.69 H new ATOM 0 HA ALA A 129 8.295 9.075 -6.274 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.849 11.251 -7.448 1.00 0.95 H new ATOM 0 HB2 ALA A 129 9.268 11.346 -6.378 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.489 11.185 -8.137 1.00 0.95 H new ATOM 168 N ALA A 130 8.911 8.443 -9.402 1.00 0.80 N ATOM 169 CA ALA A 130 8.323 7.887 -10.622 1.00 1.00 C ATOM 170 C ALA A 130 7.493 6.637 -10.329 1.00 0.91 C ATOM 171 O ALA A 130 6.337 6.544 -10.733 1.00 1.16 O ATOM 172 CB ALA A 130 9.407 7.565 -11.634 1.00 1.21 C ATOM 0 H ALA A 130 9.924 8.560 -9.437 1.00 0.80 H new ATOM 0 HA ALA A 130 7.657 8.643 -11.038 1.00 1.00 H new ATOM 0 HB1 ALA A 130 8.953 7.153 -12.535 1.00 1.21 H new ATOM 0 HB2 ALA A 130 9.951 8.475 -11.886 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.097 6.836 -11.209 1.00 1.21 H new ATOM 178 N GLU A 131 8.080 5.695 -9.602 1.00 0.68 N ATOM 179 CA GLU A 131 7.410 4.430 -9.321 1.00 0.65 C ATOM 180 C GLU A 131 7.129 4.285 -7.825 1.00 0.46 C ATOM 181 O GLU A 131 6.715 3.221 -7.368 1.00 0.50 O ATOM 182 CB GLU A 131 8.264 3.253 -9.809 1.00 0.87 C ATOM 183 CG GLU A 131 8.651 3.327 -11.284 1.00 1.41 C ATOM 184 CD GLU A 131 7.464 3.259 -12.230 1.00 1.70 C ATOM 185 OE1 GLU A 131 7.047 2.143 -12.593 1.00 1.99 O ATOM 186 OE2 GLU A 131 6.926 4.327 -12.602 1.00 2.44 O ATOM 0 H GLU A 131 9.013 5.781 -9.198 1.00 0.68 H new ATOM 0 HA GLU A 131 6.460 4.424 -9.855 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.173 3.205 -9.209 1.00 0.87 H new ATOM 0 HB3 GLU A 131 7.718 2.326 -9.635 1.00 0.87 H new ATOM 0 HG2 GLU A 131 9.194 4.255 -11.462 1.00 1.41 H new ATOM 0 HG3 GLU A 131 9.334 2.509 -11.513 1.00 1.41 H new ATOM 193 N LYS A 132 7.358 5.363 -7.075 1.00 0.44 N ATOM 194 CA LYS A 132 7.166 5.357 -5.627 1.00 0.42 C ATOM 195 C LYS A 132 5.700 5.131 -5.256 1.00 0.44 C ATOM 196 O LYS A 132 4.863 6.021 -5.410 1.00 0.58 O ATOM 197 CB LYS A 132 7.688 6.668 -5.002 1.00 0.55 C ATOM 198 CG LYS A 132 7.227 6.912 -3.572 1.00 0.65 C ATOM 199 CD LYS A 132 8.067 7.982 -2.889 1.00 1.05 C ATOM 200 CE LYS A 132 8.082 9.288 -3.671 1.00 1.58 C ATOM 201 NZ LYS A 132 8.996 10.288 -3.061 1.00 2.18 N ATOM 0 H LYS A 132 7.678 6.256 -7.450 1.00 0.44 H new ATOM 0 HA LYS A 132 7.742 4.525 -5.222 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.778 6.657 -5.022 1.00 0.55 H new ATOM 0 HB3 LYS A 132 7.366 7.505 -5.622 1.00 0.55 H new ATOM 0 HG2 LYS A 132 6.180 7.216 -3.573 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.289 5.983 -3.005 1.00 0.65 H new ATOM 0 HD2 LYS A 132 7.676 8.164 -1.888 1.00 1.05 H new ATOM 0 HD3 LYS A 132 9.088 7.619 -2.771 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.391 9.093 -4.698 1.00 1.58 H new ATOM 0 HE3 LYS A 132 7.073 9.697 -3.714 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 8.978 11.163 -3.623 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 8.687 10.494 -2.090 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 9.964 9.908 -3.043 1.00 2.18 H new ATOM 215 N VAL A 133 5.395 3.918 -4.816 1.00 0.39 N ATOM 216 CA VAL A 133 4.107 3.620 -4.204 1.00 0.44 C ATOM 217 C VAL A 133 4.301 3.465 -2.703 1.00 0.44 C ATOM 218 O VAL A 133 5.302 2.904 -2.260 1.00 0.50 O ATOM 219 CB VAL A 133 3.458 2.342 -4.786 1.00 0.49 C ATOM 220 CG1 VAL A 133 3.022 2.572 -6.221 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.410 1.158 -4.707 1.00 0.88 C ATOM 0 H VAL A 133 6.027 3.119 -4.872 1.00 0.39 H new ATOM 0 HA VAL A 133 3.430 4.447 -4.421 1.00 0.44 H new ATOM 0 HB VAL A 133 2.578 2.111 -4.185 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.568 1.662 -6.614 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.296 3.384 -6.255 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.889 2.835 -6.827 1.00 1.02 H new ATOM 0 HG21 VAL A 133 3.927 0.274 -5.123 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.313 1.379 -5.275 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.673 0.971 -3.666 1.00 0.88 H new ATOM 231 N MET A 134 3.365 3.975 -1.926 1.00 0.54 N ATOM 232 CA MET A 134 3.528 4.015 -0.478 1.00 0.60 C ATOM 233 C MET A 134 3.181 2.677 0.183 1.00 0.57 C ATOM 234 O MET A 134 2.070 2.473 0.678 1.00 0.75 O ATOM 235 CB MET A 134 2.692 5.153 0.131 1.00 0.83 C ATOM 236 CG MET A 134 1.204 5.092 -0.200 1.00 1.14 C ATOM 237 SD MET A 134 0.256 6.408 0.592 1.00 1.65 S ATOM 238 CE MET A 134 0.979 7.857 -0.179 1.00 1.78 C ATOM 0 H MET A 134 2.487 4.366 -2.267 1.00 0.54 H new ATOM 0 HA MET A 134 4.582 4.207 -0.280 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.811 5.135 1.214 1.00 0.83 H new ATOM 0 HB3 MET A 134 3.090 6.106 -0.218 1.00 0.83 H new ATOM 0 HG2 MET A 134 1.074 5.157 -1.280 1.00 1.14 H new ATOM 0 HG3 MET A 134 0.807 4.126 0.112 1.00 1.14 H new ATOM 0 HE1 MET A 134 0.320 8.713 -0.035 1.00 1.78 H new ATOM 0 HE2 MET A 134 1.948 8.065 0.274 1.00 1.78 H new ATOM 0 HE3 MET A 134 1.109 7.675 -1.246 1.00 1.78 H new ATOM 248 N GLY A 135 4.142 1.766 0.196 1.00 0.50 N ATOM 249 CA GLY A 135 3.975 0.530 0.922 1.00 0.61 C ATOM 250 C GLY A 135 4.288 0.714 2.388 1.00 0.70 C ATOM 251 O GLY A 135 5.448 0.652 2.794 1.00 0.77 O ATOM 0 H GLY A 135 5.036 1.863 -0.285 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.952 0.173 0.808 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.628 -0.234 0.501 1.00 0.61 H new ATOM 255 N GLY A 136 3.259 0.990 3.178 1.00 0.85 N ATOM 256 CA GLY A 136 3.451 1.211 4.599 1.00 1.03 C ATOM 257 C GLY A 136 4.119 2.543 4.884 1.00 1.08 C ATOM 258 O GLY A 136 4.628 2.774 5.981 1.00 1.72 O ATOM 0 H GLY A 136 2.293 1.065 2.860 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.486 1.174 5.105 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.058 0.406 5.012 1.00 1.03 H new ATOM 262 N GLY A 137 4.122 3.417 3.883 1.00 0.94 N ATOM 263 CA GLY A 137 4.735 4.722 4.030 1.00 0.98 C ATOM 264 C GLY A 137 6.053 4.832 3.285 1.00 0.87 C ATOM 265 O GLY A 137 6.576 5.931 3.093 1.00 1.04 O ATOM 0 H GLY A 137 3.708 3.242 2.967 1.00 0.94 H new ATOM 0 HA2 GLY A 137 4.049 5.486 3.663 1.00 0.98 H new ATOM 0 HA3 GLY A 137 4.901 4.925 5.088 1.00 0.98 H new ATOM 269 N LYS A 138 6.586 3.693 2.860 1.00 0.71 N ATOM 270 CA LYS A 138 7.860 3.657 2.150 1.00 0.71 C ATOM 271 C LYS A 138 7.639 3.376 0.670 1.00 0.53 C ATOM 272 O LYS A 138 6.775 2.581 0.316 1.00 0.52 O ATOM 273 CB LYS A 138 8.768 2.579 2.746 1.00 0.92 C ATOM 274 CG LYS A 138 9.137 2.822 4.198 1.00 1.15 C ATOM 275 CD LYS A 138 9.954 4.097 4.366 1.00 1.46 C ATOM 276 CE LYS A 138 10.286 4.355 5.826 1.00 2.11 C ATOM 277 NZ LYS A 138 11.083 3.248 6.415 1.00 2.69 N ATOM 0 H LYS A 138 6.154 2.779 2.995 1.00 0.71 H new ATOM 0 HA LYS A 138 8.339 4.630 2.258 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.271 1.613 2.664 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.681 2.519 2.154 1.00 0.92 H new ATOM 0 HG2 LYS A 138 8.229 2.890 4.798 1.00 1.15 H new ATOM 0 HG3 LYS A 138 9.706 1.973 4.576 1.00 1.15 H new ATOM 0 HD2 LYS A 138 10.876 4.018 3.790 1.00 1.46 H new ATOM 0 HD3 LYS A 138 9.398 4.943 3.963 1.00 1.46 H new ATOM 0 HE2 LYS A 138 10.841 5.289 5.913 1.00 2.11 H new ATOM 0 HE3 LYS A 138 9.363 4.479 6.392 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 11.475 3.551 7.329 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 10.472 2.418 6.558 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 11.860 2.999 5.771 1.00 2.69 H new ATOM 291 N PRO A 139 8.385 4.057 -0.212 1.00 0.51 N ATOM 292 CA PRO A 139 8.367 3.791 -1.653 1.00 0.46 C ATOM 293 C PRO A 139 8.723 2.349 -1.996 1.00 0.39 C ATOM 294 O PRO A 139 9.853 1.910 -1.796 1.00 0.51 O ATOM 295 CB PRO A 139 9.444 4.730 -2.209 1.00 0.60 C ATOM 296 CG PRO A 139 10.257 5.115 -1.029 1.00 0.72 C ATOM 297 CD PRO A 139 9.287 5.173 0.105 1.00 0.63 C ATOM 0 HA PRO A 139 7.372 3.951 -2.068 1.00 0.46 H new ATOM 0 HB2 PRO A 139 10.053 4.231 -2.963 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.999 5.604 -2.685 1.00 0.60 H new ATOM 0 HG2 PRO A 139 11.045 4.387 -0.838 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.744 6.078 -1.182 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.777 5.041 1.069 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.760 6.126 0.144 1.00 0.63 H new ATOM 305 N TRP A 140 7.750 1.622 -2.502 1.00 0.34 N ATOM 306 CA TRP A 140 7.968 0.272 -2.987 1.00 0.33 C ATOM 307 C TRP A 140 7.923 0.260 -4.510 1.00 0.31 C ATOM 308 O TRP A 140 7.580 1.265 -5.133 1.00 0.38 O ATOM 309 CB TRP A 140 6.903 -0.670 -2.424 1.00 0.40 C ATOM 310 CG TRP A 140 7.155 -1.089 -1.006 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.554 -0.303 0.033 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.017 -2.409 -0.476 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.681 -1.057 1.174 1.00 0.61 N ATOM 314 CE2 TRP A 140 7.357 -2.352 0.885 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.640 -3.632 -1.026 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.336 -3.475 1.706 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.615 -4.747 -0.212 1.00 0.76 C ATOM 318 CH2 TRP A 140 6.960 -4.663 1.140 1.00 0.78 C ATOM 0 H TRP A 140 6.787 1.947 -2.590 1.00 0.34 H new ATOM 0 HA TRP A 140 8.948 -0.071 -2.655 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.931 -0.180 -2.481 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.849 -1.559 -3.052 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.743 0.758 -0.031 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.970 -0.707 2.088 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.372 -3.707 -2.070 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.606 -3.412 2.750 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 6.324 -5.701 -0.627 1.00 0.76 H new ATOM 0 HH2 TRP A 140 6.929 -5.554 1.750 1.00 0.78 H new ATOM 329 N HIS A 141 8.265 -0.870 -5.104 1.00 0.34 N ATOM 330 CA HIS A 141 8.221 -1.008 -6.550 1.00 0.34 C ATOM 331 C HIS A 141 6.851 -1.529 -6.948 1.00 0.40 C ATOM 332 O HIS A 141 6.344 -2.465 -6.351 1.00 0.51 O ATOM 333 CB HIS A 141 9.293 -1.979 -7.059 1.00 0.42 C ATOM 334 CG HIS A 141 10.705 -1.594 -6.730 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.523 -2.416 -5.998 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.409 -0.491 -7.087 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.690 -1.817 -5.916 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.678 -0.638 -6.567 1.00 0.72 N ATOM 0 H HIS A 141 8.576 -1.705 -4.608 1.00 0.34 H new ATOM 0 HA HIS A 141 8.412 -0.031 -6.994 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.095 -2.966 -6.642 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.199 -2.066 -8.141 1.00 0.42 H new ATOM 0 HD1 HIS A 141 11.274 -3.319 -5.595 1.00 0.68 H new ATOM 0 HD2 HIS A 141 11.045 0.344 -7.668 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.547 -2.218 -5.395 1.00 0.71 H new ATOM 346 N LYS A 142 6.264 -0.918 -7.963 1.00 0.49 N ATOM 347 CA LYS A 142 4.931 -1.294 -8.435 1.00 0.65 C ATOM 348 C LYS A 142 4.873 -2.759 -8.869 1.00 0.71 C ATOM 349 O LYS A 142 3.796 -3.337 -8.992 1.00 0.89 O ATOM 350 CB LYS A 142 4.529 -0.395 -9.601 1.00 0.85 C ATOM 351 CG LYS A 142 4.396 1.068 -9.217 1.00 1.52 C ATOM 352 CD LYS A 142 4.676 1.978 -10.399 1.00 1.88 C ATOM 353 CE LYS A 142 3.827 1.620 -11.606 1.00 2.60 C ATOM 354 NZ LYS A 142 4.268 2.351 -12.820 1.00 3.19 N ATOM 0 H LYS A 142 6.690 -0.151 -8.484 1.00 0.49 H new ATOM 0 HA LYS A 142 4.234 -1.166 -7.606 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.270 -0.489 -10.395 1.00 0.85 H new ATOM 0 HB3 LYS A 142 3.580 -0.744 -10.008 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.391 1.257 -8.840 1.00 1.52 H new ATOM 0 HG3 LYS A 142 5.088 1.298 -8.407 1.00 1.52 H new ATOM 0 HD2 LYS A 142 4.483 3.012 -10.114 1.00 1.88 H new ATOM 0 HD3 LYS A 142 5.731 1.912 -10.665 1.00 1.88 H new ATOM 0 HE2 LYS A 142 3.884 0.547 -11.786 1.00 2.60 H new ATOM 0 HE3 LYS A 142 2.783 1.854 -11.399 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 3.747 1.997 -13.647 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 4.079 3.367 -12.701 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 5.287 2.203 -12.963 1.00 3.19 H new ATOM 368 N THR A 143 6.036 -3.342 -9.110 1.00 0.69 N ATOM 369 CA THR A 143 6.129 -4.714 -9.568 1.00 0.84 C ATOM 370 C THR A 143 6.340 -5.698 -8.413 1.00 0.84 C ATOM 371 O THR A 143 6.162 -6.907 -8.578 1.00 1.10 O ATOM 372 CB THR A 143 7.282 -4.840 -10.573 1.00 0.95 C ATOM 373 OG1 THR A 143 8.443 -4.182 -10.051 1.00 1.38 O ATOM 374 CG2 THR A 143 6.899 -4.217 -11.908 1.00 1.47 C ATOM 0 H THR A 143 6.937 -2.878 -8.994 1.00 0.69 H new ATOM 0 HA THR A 143 5.182 -4.969 -10.044 1.00 0.84 H new ATOM 0 HB THR A 143 7.496 -5.897 -10.731 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.181 -4.263 -10.691 1.00 1.38 H new ATOM 0 HG21 THR A 143 7.729 -4.316 -12.607 1.00 1.47 H new ATOM 0 HG22 THR A 143 6.023 -4.727 -12.310 1.00 1.47 H new ATOM 0 HG23 THR A 143 6.670 -3.161 -11.764 1.00 1.47 H new ATOM 382 N CYS A 144 6.719 -5.185 -7.248 1.00 0.68 N ATOM 383 CA CYS A 144 7.010 -6.038 -6.099 1.00 0.76 C ATOM 384 C CYS A 144 6.053 -5.751 -4.953 1.00 0.81 C ATOM 385 O CYS A 144 5.916 -6.566 -4.039 1.00 0.96 O ATOM 386 CB CYS A 144 8.421 -5.789 -5.615 1.00 0.73 C ATOM 387 SG CYS A 144 8.612 -4.145 -4.882 1.00 1.14 S ATOM 0 H CYS A 144 6.832 -4.186 -7.073 1.00 0.68 H new ATOM 0 HA CYS A 144 6.895 -7.074 -6.416 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.690 -6.547 -4.879 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.114 -5.896 -6.450 1.00 0.73 H new ATOM 0 HG CYS A 144 7.708 -3.346 -5.366 1.00 1.14 H new ATOM 392 N PHE A 145 5.454 -4.560 -4.990 1.00 0.80 N ATOM 393 CA PHE A 145 4.432 -4.142 -4.038 1.00 0.86 C ATOM 394 C PHE A 145 3.264 -5.108 -4.105 1.00 0.79 C ATOM 395 O PHE A 145 2.268 -4.859 -4.772 1.00 0.81 O ATOM 396 CB PHE A 145 3.984 -2.718 -4.383 1.00 0.94 C ATOM 397 CG PHE A 145 3.103 -2.069 -3.358 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.373 -2.209 -2.007 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.995 -1.338 -3.742 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.557 -1.629 -1.059 1.00 1.10 C ATOM 401 CE2 PHE A 145 1.175 -0.757 -2.799 1.00 1.13 C ATOM 402 CZ PHE A 145 1.488 -0.836 -1.468 1.00 1.13 C ATOM 0 H PHE A 145 5.670 -3.852 -5.692 1.00 0.80 H new ATOM 0 HA PHE A 145 4.830 -4.149 -3.023 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.869 -2.098 -4.525 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.454 -2.740 -5.335 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.234 -2.780 -1.692 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.769 -1.221 -4.792 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.745 -1.788 -0.008 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.281 -0.237 -3.111 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.909 -0.287 -0.740 1.00 1.13 H new ATOM 412 N ARG A 146 3.419 -6.223 -3.423 1.00 0.76 N ATOM 413 CA ARG A 146 2.520 -7.349 -3.549 1.00 0.69 C ATOM 414 C ARG A 146 2.304 -7.984 -2.199 1.00 0.66 C ATOM 415 O ARG A 146 3.171 -7.909 -1.327 1.00 0.95 O ATOM 416 CB ARG A 146 3.143 -8.400 -4.473 1.00 0.77 C ATOM 417 CG ARG A 146 3.467 -7.899 -5.865 1.00 1.08 C ATOM 418 CD ARG A 146 4.619 -8.670 -6.489 1.00 1.13 C ATOM 419 NE ARG A 146 4.325 -10.083 -6.709 1.00 1.61 N ATOM 420 CZ ARG A 146 4.418 -10.662 -7.904 1.00 1.86 C ATOM 421 NH1 ARG A 146 4.698 -9.932 -8.976 1.00 1.73 N ATOM 422 NH2 ARG A 146 4.238 -11.966 -8.036 1.00 2.78 N ATOM 0 H ARG A 146 4.179 -6.374 -2.760 1.00 0.76 H new ATOM 0 HA ARG A 146 1.572 -6.997 -3.956 1.00 0.69 H new ATOM 0 HB2 ARG A 146 4.058 -8.774 -4.013 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.459 -9.245 -4.555 1.00 0.77 H new ATOM 0 HG2 ARG A 146 2.584 -7.989 -6.498 1.00 1.08 H new ATOM 0 HG3 ARG A 146 3.721 -6.840 -5.820 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.880 -8.209 -7.442 1.00 1.13 H new ATOM 0 HD3 ARG A 146 5.494 -8.586 -5.844 1.00 1.13 H new ATOM 0 HE ARG A 146 4.036 -10.651 -5.913 1.00 1.61 H new ATOM 0 HH11 ARG A 146 4.842 -8.926 -8.885 1.00 1.73 H new ATOM 0 HH12 ARG A 146 4.769 -10.376 -9.891 1.00 1.73 H new ATOM 0 HH21 ARG A 146 4.026 -12.537 -7.218 1.00 2.78 H new ATOM 0 HH22 ARG A 146 4.311 -12.400 -8.956 1.00 2.78 H new ATOM 436 N CYS A 147 1.168 -8.617 -2.024 1.00 0.42 N ATOM 437 CA CYS A 147 0.962 -9.420 -0.853 1.00 0.43 C ATOM 438 C CYS A 147 1.400 -10.843 -1.153 1.00 0.52 C ATOM 439 O CYS A 147 1.181 -11.361 -2.272 1.00 0.53 O ATOM 440 CB CYS A 147 -0.489 -9.367 -0.400 1.00 0.43 C ATOM 441 SG CYS A 147 -1.377 -10.941 -0.527 1.00 0.68 S ATOM 0 H CYS A 147 0.382 -8.589 -2.673 1.00 0.42 H new ATOM 0 HA CYS A 147 1.561 -9.027 -0.032 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.520 -9.030 0.636 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.014 -8.620 -0.994 1.00 0.43 H new ATOM 0 HG CYS A 147 -1.606 -11.210 -1.778 1.00 0.68 H new ATOM 446 N ALA A 148 2.051 -11.440 -0.160 1.00 0.67 N ATOM 447 CA ALA A 148 2.633 -12.767 -0.278 1.00 0.82 C ATOM 448 C ALA A 148 1.574 -13.862 -0.237 1.00 0.84 C ATOM 449 O ALA A 148 1.863 -15.018 -0.552 1.00 0.98 O ATOM 450 CB ALA A 148 3.652 -12.981 0.830 1.00 1.02 C ATOM 0 H ALA A 148 2.189 -11.011 0.755 1.00 0.67 H new ATOM 0 HA ALA A 148 3.126 -12.829 -1.248 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.086 -13.977 0.738 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.440 -12.233 0.749 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.161 -12.887 1.799 1.00 1.02 H new ATOM 456 N ILE A 149 0.352 -13.505 0.147 1.00 0.76 N ATOM 457 CA ILE A 149 -0.719 -14.487 0.251 1.00 0.84 C ATOM 458 C ILE A 149 -1.074 -15.025 -1.129 1.00 0.85 C ATOM 459 O ILE A 149 -1.337 -16.220 -1.292 1.00 1.00 O ATOM 460 CB ILE A 149 -1.988 -13.907 0.923 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.675 -13.472 2.354 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.126 -14.924 0.911 1.00 0.97 C ATOM 463 CD1 ILE A 149 -2.878 -12.934 3.105 1.00 1.02 C ATOM 0 H ILE A 149 0.081 -12.552 0.389 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.350 -15.295 0.883 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.309 -13.035 0.353 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.266 -14.321 2.901 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.900 -12.706 2.330 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.005 -14.492 1.389 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.366 -15.189 -0.119 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -2.821 -15.818 1.454 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.579 -12.646 4.113 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.275 -12.064 2.581 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.646 -13.705 3.161 1.00 1.02 H new ATOM 475 N CYS A 150 -1.044 -14.151 -2.128 1.00 0.73 N ATOM 476 CA CYS A 150 -1.406 -14.541 -3.468 1.00 0.79 C ATOM 477 C CYS A 150 -0.217 -14.362 -4.409 1.00 0.75 C ATOM 478 O CYS A 150 -0.053 -15.100 -5.382 1.00 0.87 O ATOM 479 CB CYS A 150 -2.570 -13.682 -3.938 1.00 0.78 C ATOM 480 SG CYS A 150 -2.141 -11.919 -4.045 1.00 0.82 S ATOM 0 H CYS A 150 -0.773 -13.173 -2.027 1.00 0.73 H new ATOM 0 HA CYS A 150 -1.698 -15.591 -3.473 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.902 -14.031 -4.916 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.409 -13.807 -3.253 1.00 0.78 H new ATOM 0 HG CYS A 150 -2.920 -11.234 -3.261 1.00 0.82 H new ATOM 485 N GLY A 151 0.623 -13.382 -4.083 1.00 0.66 N ATOM 486 CA GLY A 151 1.682 -12.975 -4.977 1.00 0.70 C ATOM 487 C GLY A 151 1.154 -12.004 -6.002 1.00 0.66 C ATOM 488 O GLY A 151 1.518 -12.070 -7.174 1.00 0.76 O ATOM 0 H GLY A 151 0.584 -12.862 -3.207 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.489 -12.512 -4.409 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.103 -13.848 -5.476 1.00 0.70 H new ATOM 492 N LYS A 152 0.280 -11.104 -5.566 1.00 0.58 N ATOM 493 CA LYS A 152 -0.329 -10.152 -6.489 1.00 0.64 C ATOM 494 C LYS A 152 0.053 -8.722 -6.146 1.00 0.56 C ATOM 495 O LYS A 152 0.115 -8.353 -4.973 1.00 0.50 O ATOM 496 CB LYS A 152 -1.852 -10.270 -6.502 1.00 0.80 C ATOM 497 CG LYS A 152 -2.526 -9.335 -7.490 1.00 0.89 C ATOM 498 CD LYS A 152 -3.980 -9.104 -7.137 1.00 1.39 C ATOM 499 CE LYS A 152 -4.622 -8.125 -8.106 1.00 1.75 C ATOM 500 NZ LYS A 152 -5.993 -7.735 -7.686 1.00 2.37 N ATOM 0 H LYS A 152 -0.020 -11.013 -4.595 1.00 0.58 H new ATOM 0 HA LYS A 152 0.054 -10.399 -7.479 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.126 -11.297 -6.742 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.233 -10.064 -5.502 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -1.999 -8.381 -7.506 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.457 -9.754 -8.494 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.519 -10.051 -7.159 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.055 -8.718 -6.120 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.000 -7.233 -8.183 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.662 -8.573 -9.099 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -6.391 -7.067 -8.377 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -6.595 -8.582 -7.637 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -5.954 -7.283 -6.750 1.00 2.37 H new ATOM 514 N SER A 153 0.300 -7.928 -7.180 1.00 0.67 N ATOM 515 CA SER A 153 0.685 -6.540 -7.011 1.00 0.73 C ATOM 516 C SER A 153 -0.486 -5.702 -6.505 1.00 0.76 C ATOM 517 O SER A 153 -1.610 -5.810 -7.008 1.00 0.94 O ATOM 518 CB SER A 153 1.193 -5.985 -8.339 1.00 0.91 C ATOM 519 OG SER A 153 2.245 -6.786 -8.859 1.00 1.46 O ATOM 0 H SER A 153 0.239 -8.229 -8.153 1.00 0.67 H new ATOM 0 HA SER A 153 1.480 -6.490 -6.267 1.00 0.73 H new ATOM 0 HB2 SER A 153 0.374 -5.944 -9.057 1.00 0.91 H new ATOM 0 HB3 SER A 153 1.545 -4.963 -8.199 1.00 0.91 H new ATOM 0 HG SER A 153 2.552 -6.410 -9.711 1.00 1.46 H new ATOM 525 N LEU A 154 -0.214 -4.875 -5.510 1.00 0.71 N ATOM 526 CA LEU A 154 -1.204 -3.968 -4.964 1.00 0.76 C ATOM 527 C LEU A 154 -1.325 -2.755 -5.875 1.00 0.92 C ATOM 528 O LEU A 154 -0.528 -1.819 -5.799 1.00 1.13 O ATOM 529 CB LEU A 154 -0.812 -3.532 -3.548 1.00 0.70 C ATOM 530 CG LEU A 154 -0.491 -4.674 -2.577 1.00 0.70 C ATOM 531 CD1 LEU A 154 -0.151 -4.128 -1.201 1.00 0.85 C ATOM 532 CD2 LEU A 154 -1.655 -5.649 -2.486 1.00 0.86 C ATOM 0 H LEU A 154 0.699 -4.815 -5.060 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.166 -4.478 -4.906 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.058 -2.878 -3.614 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.625 -2.939 -3.130 1.00 0.70 H new ATOM 0 HG LEU A 154 0.377 -5.210 -2.961 1.00 0.70 H new ATOM 0 HD11 LEU A 154 0.074 -4.955 -0.527 1.00 0.85 H new ATOM 0 HD12 LEU A 154 0.717 -3.473 -1.274 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -0.999 -3.564 -0.813 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -1.405 -6.451 -1.791 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -2.542 -5.125 -2.130 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -1.854 -6.071 -3.471 1.00 0.86 H new ATOM 544 N GLU A 155 -2.334 -2.784 -6.732 1.00 1.24 N ATOM 545 CA GLU A 155 -2.532 -1.769 -7.761 1.00 1.53 C ATOM 546 C GLU A 155 -3.164 -0.501 -7.186 1.00 1.73 C ATOM 547 O GLU A 155 -4.143 0.022 -7.728 1.00 2.45 O ATOM 548 CB GLU A 155 -3.407 -2.349 -8.875 1.00 1.96 C ATOM 549 CG GLU A 155 -4.693 -2.979 -8.360 1.00 2.39 C ATOM 550 CD GLU A 155 -5.412 -3.788 -9.414 1.00 3.01 C ATOM 551 OE1 GLU A 155 -5.026 -4.956 -9.631 1.00 3.54 O ATOM 552 OE2 GLU A 155 -6.371 -3.269 -10.022 1.00 3.46 O ATOM 0 H GLU A 155 -3.044 -3.516 -6.735 1.00 1.24 H new ATOM 0 HA GLU A 155 -1.560 -1.488 -8.166 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -3.655 -1.558 -9.582 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.837 -3.099 -9.423 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -4.462 -3.621 -7.510 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -5.356 -2.194 -7.996 1.00 2.39 H new ATOM 559 N SER A 156 -2.601 -0.031 -6.072 1.00 1.83 N ATOM 560 CA SER A 156 -3.004 1.219 -5.419 1.00 2.22 C ATOM 561 C SER A 156 -4.379 1.119 -4.737 1.00 1.96 C ATOM 562 O SER A 156 -4.620 1.778 -3.726 1.00 2.65 O ATOM 563 CB SER A 156 -2.987 2.376 -6.426 1.00 3.04 C ATOM 564 OG SER A 156 -1.758 2.406 -7.141 1.00 3.58 O ATOM 0 H SER A 156 -1.842 -0.513 -5.590 1.00 1.83 H new ATOM 0 HA SER A 156 -2.276 1.414 -4.631 1.00 2.22 H new ATOM 0 HB2 SER A 156 -3.817 2.268 -7.125 1.00 3.04 H new ATOM 0 HB3 SER A 156 -3.132 3.321 -5.903 1.00 3.04 H new ATOM 0 HG SER A 156 -1.769 3.150 -7.779 1.00 3.58 H new ATOM 570 N THR A 157 -5.260 0.288 -5.273 1.00 1.62 N ATOM 571 CA THR A 157 -6.624 0.180 -4.769 1.00 1.69 C ATOM 572 C THR A 157 -6.767 -0.906 -3.703 1.00 1.51 C ATOM 573 O THR A 157 -7.720 -0.901 -2.924 1.00 2.11 O ATOM 574 CB THR A 157 -7.600 -0.102 -5.923 1.00 2.15 C ATOM 575 OG1 THR A 157 -7.077 -1.145 -6.759 1.00 2.66 O ATOM 576 CG2 THR A 157 -7.829 1.153 -6.750 1.00 2.67 C ATOM 0 H THR A 157 -5.055 -0.325 -6.062 1.00 1.62 H new ATOM 0 HA THR A 157 -6.865 1.136 -4.304 1.00 1.69 H new ATOM 0 HB THR A 157 -8.554 -0.419 -5.501 1.00 2.15 H new ATOM 0 HG1 THR A 157 -7.703 -1.322 -7.492 1.00 2.66 H new ATOM 0 HG21 THR A 157 -8.522 0.932 -7.562 1.00 2.67 H new ATOM 0 HG22 THR A 157 -8.248 1.935 -6.117 1.00 2.67 H new ATOM 0 HG23 THR A 157 -6.880 1.493 -7.166 1.00 2.67 H new ATOM 584 N ASN A 158 -5.829 -1.840 -3.668 1.00 1.17 N ATOM 585 CA ASN A 158 -5.886 -2.936 -2.705 1.00 1.14 C ATOM 586 C ASN A 158 -4.694 -2.896 -1.755 1.00 0.94 C ATOM 587 O ASN A 158 -4.054 -3.911 -1.512 1.00 1.16 O ATOM 588 CB ASN A 158 -5.947 -4.300 -3.420 1.00 1.38 C ATOM 589 CG ASN A 158 -4.804 -4.526 -4.407 1.00 1.61 C ATOM 590 OD1 ASN A 158 -4.343 -3.603 -5.072 1.00 2.30 O ATOM 591 ND2 ASN A 158 -4.328 -5.763 -4.504 1.00 2.09 N ATOM 0 H ASN A 158 -5.022 -1.864 -4.291 1.00 1.17 H new ATOM 0 HA ASN A 158 -6.798 -2.810 -2.121 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -5.932 -5.093 -2.673 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -6.895 -4.380 -3.951 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -3.560 -5.965 -5.144 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -4.731 -6.510 -3.939 1.00 2.09 H new ATOM 598 N VAL A 159 -4.419 -1.728 -1.198 1.00 0.79 N ATOM 599 CA VAL A 159 -3.276 -1.557 -0.308 1.00 0.72 C ATOM 600 C VAL A 159 -3.690 -1.697 1.158 1.00 0.69 C ATOM 601 O VAL A 159 -4.492 -0.909 1.664 1.00 0.83 O ATOM 602 CB VAL A 159 -2.607 -0.180 -0.513 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.436 0.008 0.443 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.154 -0.008 -1.955 1.00 1.59 C ATOM 0 H VAL A 159 -4.970 -0.882 -1.345 1.00 0.79 H new ATOM 0 HA VAL A 159 -2.562 -2.342 -0.556 1.00 0.72 H new ATOM 0 HB VAL A 159 -3.349 0.587 -0.293 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.984 0.986 0.277 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -1.792 -0.057 1.471 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -0.693 -0.770 0.266 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.686 0.969 -2.075 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.435 -0.788 -2.206 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -3.016 -0.082 -2.618 1.00 1.59 H new ATOM 614 N THR A 160 -3.160 -2.710 1.825 1.00 0.62 N ATOM 615 CA THR A 160 -3.381 -2.893 3.252 1.00 0.67 C ATOM 616 C THR A 160 -2.088 -3.359 3.927 1.00 0.70 C ATOM 617 O THR A 160 -1.337 -4.145 3.356 1.00 0.81 O ATOM 618 CB THR A 160 -4.514 -3.910 3.514 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.704 -3.493 2.829 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.808 -4.032 5.002 1.00 1.08 C ATOM 0 H THR A 160 -2.569 -3.423 1.398 1.00 0.62 H new ATOM 0 HA THR A 160 -3.682 -1.935 3.676 1.00 0.67 H new ATOM 0 HB THR A 160 -4.190 -4.883 3.143 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.421 -4.140 2.995 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.609 -4.754 5.156 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.912 -4.367 5.524 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.114 -3.062 5.393 1.00 1.08 H new ATOM 628 N ASP A 161 -1.817 -2.849 5.120 1.00 0.82 N ATOM 629 CA ASP A 161 -0.609 -3.213 5.854 1.00 0.93 C ATOM 630 C ASP A 161 -0.950 -3.912 7.165 1.00 0.96 C ATOM 631 O ASP A 161 -1.926 -3.559 7.834 1.00 1.06 O ATOM 632 CB ASP A 161 0.233 -1.959 6.138 1.00 1.18 C ATOM 633 CG ASP A 161 1.472 -2.230 6.985 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.338 -2.385 8.220 1.00 2.13 O ATOM 635 OD2 ASP A 161 2.589 -2.249 6.431 1.00 2.27 O ATOM 0 H ASP A 161 -2.417 -2.180 5.603 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.035 -3.904 5.237 1.00 0.93 H new ATOM 0 HB2 ASP A 161 0.541 -1.517 5.190 1.00 1.18 H new ATOM 0 HB3 ASP A 161 -0.389 -1.222 6.646 1.00 1.18 H new ATOM 640 N LYS A 162 -0.159 -4.913 7.515 1.00 0.98 N ATOM 641 CA LYS A 162 -0.251 -5.549 8.817 1.00 1.10 C ATOM 642 C LYS A 162 1.138 -5.657 9.428 1.00 1.22 C ATOM 643 O LYS A 162 1.957 -6.461 8.982 1.00 1.27 O ATOM 644 CB LYS A 162 -0.884 -6.938 8.715 1.00 1.17 C ATOM 645 CG LYS A 162 -1.199 -7.558 10.072 1.00 1.55 C ATOM 646 CD LYS A 162 -1.666 -8.999 9.948 1.00 1.86 C ATOM 647 CE LYS A 162 -0.525 -9.937 9.580 1.00 2.36 C ATOM 648 NZ LYS A 162 0.481 -10.058 10.670 1.00 2.95 N ATOM 0 H LYS A 162 0.561 -5.305 6.908 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.889 -4.936 9.454 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -1.803 -6.869 8.133 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.210 -7.598 8.169 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -0.311 -7.518 10.703 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -1.970 -6.969 10.569 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.109 -9.319 10.891 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -2.447 -9.063 9.191 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -0.928 -10.923 9.350 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -0.036 -9.574 8.676 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 1.163 -10.806 10.431 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 0.983 -9.154 10.781 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 0.001 -10.299 11.560 1.00 2.95 H new ATOM 662 N ASP A 163 1.394 -4.801 10.418 1.00 1.37 N ATOM 663 CA ASP A 163 2.657 -4.766 11.179 1.00 1.58 C ATOM 664 C ASP A 163 3.901 -4.832 10.286 1.00 1.48 C ATOM 665 O ASP A 163 4.925 -5.401 10.669 1.00 1.94 O ATOM 666 CB ASP A 163 2.710 -5.859 12.270 1.00 1.83 C ATOM 667 CG ASP A 163 2.675 -7.285 11.745 1.00 2.42 C ATOM 668 OD1 ASP A 163 3.735 -7.822 11.358 1.00 2.80 O ATOM 669 OD2 ASP A 163 1.584 -7.895 11.742 1.00 2.97 O ATOM 0 H ASP A 163 0.722 -4.098 10.724 1.00 1.37 H new ATOM 0 HA ASP A 163 2.670 -3.794 11.672 1.00 1.58 H new ATOM 0 HB2 ASP A 163 3.619 -5.724 12.856 1.00 1.83 H new ATOM 0 HB3 ASP A 163 1.870 -5.716 12.949 1.00 1.83 H new ATOM 674 N GLY A 164 3.825 -4.224 9.109 1.00 1.41 N ATOM 675 CA GLY A 164 4.996 -4.132 8.257 1.00 1.46 C ATOM 676 C GLY A 164 4.880 -4.923 6.968 1.00 1.29 C ATOM 677 O GLY A 164 5.649 -4.696 6.032 1.00 1.45 O ATOM 0 H GLY A 164 2.980 -3.796 8.731 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.176 -3.085 8.014 1.00 1.46 H new ATOM 0 HA3 GLY A 164 5.866 -4.485 8.812 1.00 1.46 H new ATOM 681 N GLU A 165 3.943 -5.856 6.909 1.00 1.10 N ATOM 682 CA GLU A 165 3.756 -6.658 5.708 1.00 1.01 C ATOM 683 C GLU A 165 2.546 -6.165 4.921 1.00 0.86 C ATOM 684 O GLU A 165 1.563 -5.705 5.501 1.00 0.92 O ATOM 685 CB GLU A 165 3.598 -8.139 6.065 1.00 1.13 C ATOM 686 CG GLU A 165 3.493 -9.051 4.853 1.00 1.48 C ATOM 687 CD GLU A 165 4.655 -8.886 3.897 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.687 -9.556 4.092 1.00 2.21 O ATOM 689 OE2 GLU A 165 4.542 -8.091 2.943 1.00 2.17 O ATOM 0 H GLU A 165 3.304 -6.077 7.672 1.00 1.10 H new ATOM 0 HA GLU A 165 4.642 -6.551 5.083 1.00 1.01 H new ATOM 0 HB2 GLU A 165 4.449 -8.451 6.671 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.707 -8.262 6.680 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.446 -10.088 5.186 1.00 1.48 H new ATOM 0 HG3 GLU A 165 2.562 -8.843 4.326 1.00 1.48 H new ATOM 696 N LEU A 166 2.627 -6.272 3.606 1.00 0.77 N ATOM 697 CA LEU A 166 1.581 -5.783 2.726 1.00 0.65 C ATOM 698 C LEU A 166 0.635 -6.908 2.335 1.00 0.55 C ATOM 699 O LEU A 166 1.065 -8.036 2.085 1.00 0.63 O ATOM 700 CB LEU A 166 2.180 -5.151 1.465 1.00 0.71 C ATOM 701 CG LEU A 166 2.701 -3.712 1.606 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.589 -2.777 2.059 1.00 1.25 C ATOM 703 CD2 LEU A 166 3.876 -3.642 2.567 1.00 1.21 C ATOM 0 H LEU A 166 3.416 -6.698 3.120 1.00 0.77 H new ATOM 0 HA LEU A 166 1.020 -5.022 3.269 1.00 0.65 H new ATOM 0 HB2 LEU A 166 3.002 -5.781 1.124 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.422 -5.165 0.682 1.00 0.71 H new ATOM 0 HG LEU A 166 3.048 -3.389 0.624 1.00 0.86 H new ATOM 0 HD11 LEU A 166 1.981 -1.764 2.152 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.783 -2.788 1.326 1.00 1.25 H new ATOM 0 HD13 LEU A 166 1.206 -3.108 3.024 1.00 1.25 H new ATOM 0 HD21 LEU A 166 4.221 -2.611 2.645 1.00 1.21 H new ATOM 0 HD22 LEU A 166 3.564 -3.995 3.550 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.687 -4.269 2.197 1.00 1.21 H new ATOM 715 N TYR A 167 -0.649 -6.590 2.299 1.00 0.46 N ATOM 716 CA TYR A 167 -1.681 -7.531 1.894 1.00 0.38 C ATOM 717 C TYR A 167 -2.718 -6.816 1.039 1.00 0.33 C ATOM 718 O TYR A 167 -3.000 -5.634 1.255 1.00 0.45 O ATOM 719 CB TYR A 167 -2.370 -8.143 3.114 1.00 0.46 C ATOM 720 CG TYR A 167 -1.446 -8.907 4.033 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.891 -10.113 3.634 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.125 -8.421 5.292 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.042 -10.815 4.465 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.276 -9.119 6.130 1.00 0.97 C ATOM 725 CZ TYR A 167 0.245 -10.306 5.735 1.00 1.03 C ATOM 726 OH TYR A 167 1.115 -11.013 6.533 1.00 1.23 O ATOM 0 H TYR A 167 -1.006 -5.668 2.551 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.211 -8.330 1.320 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.851 -7.347 3.682 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.159 -8.813 2.773 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.127 -10.509 2.657 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.545 -7.483 5.623 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.396 -11.747 4.138 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.027 -8.718 7.101 1.00 0.97 H new ATOM 0 HH TYR A 167 1.414 -10.446 7.274 1.00 1.23 H new ATOM 736 N CYS A 168 -3.271 -7.526 0.063 1.00 0.30 N ATOM 737 CA CYS A 168 -4.339 -6.982 -0.762 1.00 0.38 C ATOM 738 C CYS A 168 -5.621 -6.869 0.054 1.00 0.45 C ATOM 739 O CYS A 168 -5.796 -7.594 1.033 1.00 0.47 O ATOM 740 CB CYS A 168 -4.605 -7.878 -1.974 1.00 0.46 C ATOM 741 SG CYS A 168 -3.119 -8.526 -2.794 1.00 0.52 S ATOM 0 H CYS A 168 -2.997 -8.479 -0.175 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.026 -5.997 -1.108 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.222 -8.719 -1.656 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.186 -7.314 -2.703 1.00 0.46 H new ATOM 0 HG CYS A 168 -2.599 -9.470 -2.067 1.00 0.52 H new ATOM 746 N LYS A 169 -6.514 -5.978 -0.349 1.00 0.60 N ATOM 747 CA LYS A 169 -7.808 -5.841 0.313 1.00 0.72 C ATOM 748 C LYS A 169 -8.542 -7.182 0.318 1.00 0.69 C ATOM 749 O LYS A 169 -9.116 -7.588 1.330 1.00 0.75 O ATOM 750 CB LYS A 169 -8.658 -4.781 -0.396 1.00 0.94 C ATOM 751 CG LYS A 169 -10.003 -4.505 0.269 1.00 1.57 C ATOM 752 CD LYS A 169 -9.835 -3.852 1.633 1.00 1.97 C ATOM 753 CE LYS A 169 -11.176 -3.458 2.241 1.00 2.66 C ATOM 754 NZ LYS A 169 -12.020 -4.641 2.573 1.00 3.12 N ATOM 0 H LYS A 169 -6.369 -5.338 -1.130 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.641 -5.526 1.343 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.092 -3.851 -0.443 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.833 -5.100 -1.423 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.600 -3.857 -0.373 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -10.553 -5.440 0.379 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -9.320 -4.539 2.304 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -9.205 -2.967 1.537 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -11.004 -2.873 3.144 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -11.714 -2.816 1.543 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -12.913 -4.322 2.999 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -12.222 -5.178 1.705 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -11.514 -5.250 3.247 1.00 3.12 H new ATOM 768 N VAL A 170 -8.475 -7.878 -0.812 1.00 0.70 N ATOM 769 CA VAL A 170 -9.162 -9.155 -0.982 1.00 0.77 C ATOM 770 C VAL A 170 -8.554 -10.229 -0.083 1.00 0.69 C ATOM 771 O VAL A 170 -9.268 -10.951 0.609 1.00 0.78 O ATOM 772 CB VAL A 170 -9.090 -9.635 -2.449 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.947 -10.873 -2.662 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.497 -8.525 -3.408 1.00 1.02 C ATOM 0 H VAL A 170 -7.947 -7.576 -1.631 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.204 -8.996 -0.704 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.054 -9.901 -2.661 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.878 -11.189 -3.703 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.594 -11.676 -2.015 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.985 -10.643 -2.421 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.437 -8.890 -4.433 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.519 -8.215 -3.192 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -8.826 -7.675 -3.286 1.00 1.02 H new ATOM 784 N CYS A 171 -7.232 -10.324 -0.093 1.00 0.58 N ATOM 785 CA CYS A 171 -6.530 -11.327 0.691 1.00 0.59 C ATOM 786 C CYS A 171 -6.628 -11.032 2.186 1.00 0.57 C ATOM 787 O CYS A 171 -6.718 -11.948 3.002 1.00 0.66 O ATOM 788 CB CYS A 171 -5.078 -11.386 0.239 1.00 0.58 C ATOM 789 SG CYS A 171 -4.916 -11.576 -1.564 1.00 0.80 S ATOM 0 H CYS A 171 -6.622 -9.715 -0.639 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.998 -12.298 0.527 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.566 -10.476 0.553 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.580 -12.219 0.735 1.00 0.58 H new ATOM 0 HG CYS A 171 -4.280 -10.553 -2.053 1.00 0.80 H new ATOM 794 N TYR A 172 -6.626 -9.754 2.538 1.00 0.51 N ATOM 795 CA TYR A 172 -6.801 -9.350 3.925 1.00 0.59 C ATOM 796 C TYR A 172 -8.201 -9.731 4.395 1.00 0.67 C ATOM 797 O TYR A 172 -8.400 -10.101 5.548 1.00 0.76 O ATOM 798 CB TYR A 172 -6.578 -7.844 4.075 1.00 0.65 C ATOM 799 CG TYR A 172 -6.446 -7.380 5.509 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.222 -7.447 6.162 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.533 -6.866 6.203 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.085 -7.016 7.467 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.403 -6.431 7.508 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.178 -6.508 8.135 1.00 1.48 C ATOM 805 OH TYR A 172 -6.046 -6.075 9.438 1.00 1.78 O ATOM 0 H TYR A 172 -6.505 -8.981 1.884 1.00 0.51 H new ATOM 0 HA TYR A 172 -6.065 -9.866 4.542 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.677 -7.565 3.529 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.410 -7.316 3.608 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.363 -7.843 5.641 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.495 -6.805 5.715 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.127 -7.077 7.961 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.258 -6.032 8.034 1.00 1.45 H new ATOM 0 HH TYR A 172 -6.910 -5.745 9.762 1.00 1.78 H new ATOM 815 N ALA A 173 -9.161 -9.657 3.476 1.00 0.72 N ATOM 816 CA ALA A 173 -10.535 -10.060 3.748 1.00 0.87 C ATOM 817 C ALA A 173 -10.633 -11.572 3.926 1.00 0.91 C ATOM 818 O ALA A 173 -11.567 -12.074 4.546 1.00 1.05 O ATOM 819 CB ALA A 173 -11.457 -9.595 2.631 1.00 1.05 C ATOM 0 H ALA A 173 -9.008 -9.317 2.527 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.850 -9.587 4.678 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.479 -9.904 2.850 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.415 -8.509 2.553 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.138 -10.038 1.688 1.00 1.05 H new ATOM 825 N LYS A 174 -9.676 -12.291 3.353 1.00 0.89 N ATOM 826 CA LYS A 174 -9.630 -13.745 3.463 1.00 1.06 C ATOM 827 C LYS A 174 -8.935 -14.160 4.758 1.00 1.08 C ATOM 828 O LYS A 174 -9.098 -15.280 5.241 1.00 1.27 O ATOM 829 CB LYS A 174 -8.887 -14.335 2.262 1.00 1.17 C ATOM 830 CG LYS A 174 -9.051 -15.841 2.120 1.00 1.67 C ATOM 831 CD LYS A 174 -8.255 -16.391 0.944 1.00 2.21 C ATOM 832 CE LYS A 174 -8.555 -15.639 -0.344 1.00 2.63 C ATOM 833 NZ LYS A 174 -10.002 -15.649 -0.688 1.00 3.36 N ATOM 0 H LYS A 174 -8.916 -11.888 2.804 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.651 -14.126 3.477 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.244 -13.852 1.352 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.826 -14.101 2.352 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -8.726 -16.330 3.039 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -10.106 -16.080 1.988 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -7.189 -16.324 1.164 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -8.487 -17.448 0.810 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -8.216 -14.608 -0.246 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.988 -16.085 -1.161 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -10.136 -15.244 -1.636 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -10.355 -16.627 -0.676 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -10.528 -15.083 0.008 1.00 3.36 H new ATOM 847 N ASN A 175 -8.156 -13.241 5.309 1.00 1.04 N ATOM 848 CA ASN A 175 -7.419 -13.483 6.546 1.00 1.24 C ATOM 849 C ASN A 175 -8.214 -12.994 7.754 1.00 1.33 C ATOM 850 O ASN A 175 -8.465 -13.755 8.687 1.00 1.56 O ATOM 851 CB ASN A 175 -6.074 -12.766 6.490 1.00 1.47 C ATOM 852 CG ASN A 175 -5.219 -13.001 7.723 1.00 1.90 C ATOM 853 OD1 ASN A 175 -5.304 -12.260 8.706 1.00 2.65 O ATOM 854 ND2 ASN A 175 -4.387 -14.030 7.681 1.00 2.25 N ATOM 0 H ASN A 175 -8.016 -12.310 4.916 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.258 -14.556 6.650 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.528 -13.100 5.608 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -6.245 -11.696 6.373 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -3.787 -14.233 8.480 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -4.346 -14.619 6.849 1.00 2.25 H new ATOM 861 N PHE A 176 -8.611 -11.714 7.701 1.00 1.30 N ATOM 862 CA PHE A 176 -9.385 -11.040 8.755 1.00 1.58 C ATOM 863 C PHE A 176 -8.961 -11.462 10.161 1.00 2.55 C ATOM 864 O PHE A 176 -9.767 -11.944 10.955 1.00 3.04 O ATOM 865 CB PHE A 176 -10.908 -11.214 8.544 1.00 1.55 C ATOM 866 CG PHE A 176 -11.388 -12.635 8.398 1.00 2.24 C ATOM 867 CD1 PHE A 176 -11.268 -13.294 7.188 1.00 2.85 C ATOM 868 CD2 PHE A 176 -11.967 -13.308 9.462 1.00 2.73 C ATOM 869 CE1 PHE A 176 -11.708 -14.586 7.034 1.00 3.93 C ATOM 870 CE2 PHE A 176 -12.412 -14.608 9.316 1.00 3.72 C ATOM 871 CZ PHE A 176 -12.281 -15.249 8.100 1.00 4.32 C ATOM 0 H PHE A 176 -8.399 -11.106 6.910 1.00 1.30 H new ATOM 0 HA PHE A 176 -9.158 -9.977 8.670 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -11.428 -10.759 9.387 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -11.199 -10.658 7.653 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -10.820 -12.783 6.349 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -12.072 -12.811 10.415 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -11.606 -15.082 6.080 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -12.862 -15.122 10.152 1.00 3.72 H new ATOM 0 HZ PHE A 176 -12.626 -16.266 7.984 1.00 4.32 H new