USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 531 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 174 ASN : amide:sc= 0.867 K(o=3.9,f=2.6) USER MOD Set 1.2: A 189 TYR OH : rot -51:sc= 2.04 USER MOD Set 1.3: A 193 GLN : amide:sc= 0.967 K(o=3.9,f=2.8) USER MOD Set 2.1: A 171 CYS SG : rot 130:sc= 0.677 USER MOD Set 2.2: A 177 CYS SG : rot -155:sc= 0.275 USER MOD Set 2.3: A 187 CYS SG : rot 180:sc= 0.0122 USER MOD Set 2.4: A 190 CYS SG : rot 170:sc= 0.0183 USER MOD Set 3.1: A 162 THR OG1 : rot 81:sc= 2.22 USER MOD Set 3.2: A 169 TYR OH : rot 156:sc= 1.15 USER MOD Set 4.1: A 135 CYS SG : rot 10:sc= 0.577 USER MOD Set 4.2: A 138 CYS SG : rot -42:sc= 0.45 USER MOD Set 4.3: A 151 SER OG : rot 51:sc= 0.0766 USER MOD Set 4.4: A 152 CYS SG : rot -62:sc= 0.468 USER MOD Set 4.5: A 155 CYS SG : rot 119:sc= 0.26 USER MOD Set 4.6: A 200 MET CE :methyl 174:sc= -0.188 (180deg=-0.259) USER MOD Single : A 133 HIS : no HE2:sc= -0.35 K(o=-0.35,f=-5.2!) USER MOD Single : A 142 SER OG : rot -128:sc= 1.38 USER MOD Single : A 143 SER OG : rot -110:sc= 0.255 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 HIS : no HE2:sc= -0.467 K(o=-0.47,f=-5.5!) USER MOD Single : A 147 TYR OH : rot -2:sc= 1.25 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 156:sc=-0.000842 (180deg=-0.0761) USER MOD Single : A 165 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0744) USER MOD Single : A 168 THR OG1 : rot 58:sc= 0.301 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 175 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0246) USER MOD Single : A 188 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.051) USER MOD Single : A 192 TYR OH : rot 173:sc= 2.21 USER MOD Single : A 194 LYS NZ :NH3+ 164:sc= 1.57 (180deg=1.33) USER MOD Single : A 198 MET CE :methyl -158:sc= -0.925 (180deg=-1.48) USER MOD Single : A 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -3.146 -4.532 15.147 1.00 0.00 N ATOM 58 CA HIS A 133 -4.005 -3.665 14.353 1.00 0.00 C ATOM 59 C HIS A 133 -3.905 -4.135 12.903 1.00 0.00 C ATOM 60 O HIS A 133 -2.832 -4.001 12.320 1.00 0.00 O ATOM 61 CB HIS A 133 -3.513 -2.213 14.488 1.00 0.00 C ATOM 62 CG HIS A 133 -4.255 -1.199 13.642 1.00 0.00 C ATOM 63 ND1 HIS A 133 -4.491 -1.268 12.284 1.00 0.00 N ATOM 64 CD2 HIS A 133 -4.653 0.045 14.056 1.00 0.00 C ATOM 65 CE1 HIS A 133 -5.051 -0.109 11.905 1.00 0.00 C ATOM 66 NE2 HIS A 133 -5.162 0.728 12.948 1.00 0.00 N ATOM 0 HA HIS A 133 -5.041 -3.708 14.689 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -3.590 -1.916 15.534 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -2.456 -2.178 14.224 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -4.278 -2.059 11.677 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -4.585 0.430 15.063 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -5.369 0.119 10.898 1.00 0.00 H new ATOM 74 N ILE A 134 -4.990 -4.671 12.328 1.00 0.00 N ATOM 75 CA ILE A 134 -5.030 -5.162 10.950 1.00 0.00 C ATOM 76 C ILE A 134 -4.287 -4.247 9.978 1.00 0.00 C ATOM 77 O ILE A 134 -4.290 -3.026 10.136 1.00 0.00 O ATOM 78 CB ILE A 134 -6.476 -5.344 10.450 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.387 -4.163 10.838 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.033 -6.684 10.923 1.00 0.00 C ATOM 81 CD1 ILE A 134 -8.709 -4.169 10.064 1.00 0.00 C ATOM 0 H ILE A 134 -5.878 -4.776 12.819 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.527 -6.129 10.973 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.454 -5.352 9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.595 -4.203 11.907 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -6.863 -3.226 10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.055 -6.801 10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.416 -7.493 10.532 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.026 -6.717 12.012 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -9.315 -3.318 10.373 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.505 -4.101 8.995 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -9.248 -5.093 10.272 1.00 0.00 H new ATOM 93 N CYS A 135 -3.670 -4.846 8.957 1.00 0.00 N ATOM 94 CA CYS A 135 -2.958 -4.106 7.938 1.00 0.00 C ATOM 95 C CYS A 135 -3.893 -3.066 7.334 1.00 0.00 C ATOM 96 O CYS A 135 -4.893 -3.431 6.718 1.00 0.00 O ATOM 97 CB CYS A 135 -2.447 -5.042 6.841 1.00 0.00 C ATOM 98 SG CYS A 135 -1.570 -4.143 5.538 1.00 0.00 S ATOM 0 H CYS A 135 -3.656 -5.857 8.822 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.098 -3.615 8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -1.781 -5.785 7.280 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.287 -5.583 6.406 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.377 -2.914 5.914 1.00 0.00 H new ATOM 103 N ALA A 136 -3.552 -1.788 7.508 1.00 0.00 N ATOM 104 CA ALA A 136 -4.328 -0.655 7.032 1.00 0.00 C ATOM 105 C ALA A 136 -4.858 -0.859 5.615 1.00 0.00 C ATOM 106 O ALA A 136 -5.989 -0.493 5.310 1.00 0.00 O ATOM 107 CB ALA A 136 -3.445 0.593 7.106 1.00 0.00 C ATOM 0 H ALA A 136 -2.702 -1.511 7.999 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.206 -0.543 7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.007 1.458 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.135 0.758 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.564 0.453 6.480 1.00 0.00 H new ATOM 113 N ILE A 137 -4.013 -1.413 4.743 1.00 0.00 N ATOM 114 CA ILE A 137 -4.339 -1.610 3.344 1.00 0.00 C ATOM 115 C ILE A 137 -5.193 -2.870 3.141 1.00 0.00 C ATOM 116 O ILE A 137 -6.391 -2.760 2.897 1.00 0.00 O ATOM 117 CB ILE A 137 -3.066 -1.571 2.476 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.243 -0.294 2.732 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.451 -1.604 0.988 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.781 -0.501 2.356 1.00 0.00 C ATOM 0 H ILE A 137 -3.080 -1.737 4.997 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.961 -0.781 3.005 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.464 -2.440 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.657 0.532 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.316 -0.015 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.548 -1.576 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.005 -2.519 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.074 -0.740 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.223 0.416 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.363 -1.311 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.710 -0.756 1.299 1.00 0.00 H new ATOM 132 N CYS A 138 -4.578 -4.061 3.184 1.00 0.00 N ATOM 133 CA CYS A 138 -5.249 -5.320 2.855 1.00 0.00 C ATOM 134 C CYS A 138 -6.134 -5.930 3.946 1.00 0.00 C ATOM 135 O CYS A 138 -6.810 -6.922 3.674 1.00 0.00 O ATOM 136 CB CYS A 138 -4.236 -6.334 2.313 1.00 0.00 C ATOM 137 SG CYS A 138 -2.954 -6.901 3.457 1.00 0.00 S ATOM 0 H CYS A 138 -3.600 -4.175 3.449 1.00 0.00 H new ATOM 0 HA CYS A 138 -5.968 -5.054 2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -4.785 -7.207 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -3.746 -5.893 1.445 1.00 0.00 H new ATOM 0 HG CYS A 138 -2.514 -5.893 4.149 1.00 0.00 H new ATOM 142 N GLY A 139 -6.151 -5.378 5.163 1.00 0.00 N ATOM 143 CA GLY A 139 -7.007 -5.865 6.237 1.00 0.00 C ATOM 144 C GLY A 139 -6.618 -7.242 6.779 1.00 0.00 C ATOM 145 O GLY A 139 -7.401 -7.853 7.503 1.00 0.00 O ATOM 0 H GLY A 139 -5.570 -4.582 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -6.986 -5.146 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.035 -5.907 5.876 1.00 0.00 H new ATOM 149 N ASP A 140 -5.415 -7.732 6.467 1.00 0.00 N ATOM 150 CA ASP A 140 -4.925 -9.006 6.972 1.00 0.00 C ATOM 151 C ASP A 140 -4.205 -8.753 8.295 1.00 0.00 C ATOM 152 O ASP A 140 -4.053 -7.602 8.707 1.00 0.00 O ATOM 153 CB ASP A 140 -3.956 -9.614 5.952 1.00 0.00 C ATOM 154 CG ASP A 140 -4.677 -10.100 4.702 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.096 -11.277 4.709 1.00 0.00 O ATOM 156 OD2 ASP A 140 -4.791 -9.293 3.757 1.00 0.00 O ATOM 0 H ASP A 140 -4.756 -7.251 5.855 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.751 -9.700 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.209 -8.871 5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.422 -10.447 6.410 1.00 0.00 H new ATOM 161 N ARG A 141 -3.707 -9.806 8.949 1.00 0.00 N ATOM 162 CA ARG A 141 -2.915 -9.611 10.154 1.00 0.00 C ATOM 163 C ARG A 141 -1.645 -8.856 9.758 1.00 0.00 C ATOM 164 O ARG A 141 -0.980 -9.220 8.789 1.00 0.00 O ATOM 165 CB ARG A 141 -2.589 -10.951 10.828 1.00 0.00 C ATOM 166 CG ARG A 141 -1.942 -10.693 12.196 1.00 0.00 C ATOM 167 CD ARG A 141 -1.811 -11.975 13.017 1.00 0.00 C ATOM 168 NE ARG A 141 -1.424 -11.651 14.396 1.00 0.00 N ATOM 169 CZ ARG A 141 -0.216 -11.802 14.959 1.00 0.00 C ATOM 170 NH1 ARG A 141 0.834 -12.200 14.233 1.00 0.00 N ATOM 171 NH2 ARG A 141 -0.063 -11.544 16.264 1.00 0.00 N ATOM 0 H ARG A 141 -3.837 -10.778 8.669 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.478 -9.031 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.498 -11.540 10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.915 -11.532 10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.956 -10.251 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.539 -9.968 12.749 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.757 -12.517 13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.066 -12.631 12.566 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.157 -11.268 14.993 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.722 -12.393 13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.747 -12.311 14.675 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.861 -11.236 16.820 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.851 -11.656 16.702 1.00 0.00 H new ATOM 185 N SER A 142 -1.322 -7.792 10.488 1.00 0.00 N ATOM 186 CA SER A 142 -0.158 -6.971 10.238 1.00 0.00 C ATOM 187 C SER A 142 1.096 -7.640 10.801 1.00 0.00 C ATOM 188 O SER A 142 1.027 -8.621 11.542 1.00 0.00 O ATOM 189 CB SER A 142 -0.416 -5.626 10.919 1.00 0.00 C ATOM 190 OG SER A 142 -0.955 -5.884 12.197 1.00 0.00 O ATOM 0 H SER A 142 -1.877 -7.477 11.283 1.00 0.00 H new ATOM 0 HA SER A 142 0.008 -6.835 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.510 -5.057 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.107 -5.025 10.328 1.00 0.00 H new ATOM 0 HG SER A 142 -1.782 -5.371 12.313 1.00 0.00 H new ATOM 196 N SER A 143 2.248 -7.062 10.471 1.00 0.00 N ATOM 197 CA SER A 143 3.547 -7.445 10.988 1.00 0.00 C ATOM 198 C SER A 143 3.926 -6.396 12.035 1.00 0.00 C ATOM 199 O SER A 143 4.358 -6.747 13.131 1.00 0.00 O ATOM 200 CB SER A 143 4.572 -7.531 9.853 1.00 0.00 C ATOM 201 OG SER A 143 4.112 -8.387 8.817 1.00 0.00 O ATOM 0 H SER A 143 2.298 -6.286 9.811 1.00 0.00 H new ATOM 0 HA SER A 143 3.524 -8.434 11.445 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.759 -6.535 9.451 1.00 0.00 H new ATOM 0 HB3 SER A 143 5.521 -7.901 10.242 1.00 0.00 H new ATOM 0 HG SER A 143 4.650 -9.206 8.807 1.00 0.00 H new ATOM 207 N GLY A 144 3.730 -5.108 11.721 1.00 0.00 N ATOM 208 CA GLY A 144 4.016 -4.034 12.656 1.00 0.00 C ATOM 209 C GLY A 144 3.718 -2.679 12.021 1.00 0.00 C ATOM 210 O GLY A 144 3.095 -2.604 10.962 1.00 0.00 O ATOM 0 H GLY A 144 3.372 -4.793 10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.416 -4.159 13.558 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.062 -4.078 12.960 1.00 0.00 H new ATOM 214 N LYS A 145 4.179 -1.603 12.658 1.00 0.00 N ATOM 215 CA LYS A 145 4.017 -0.260 12.129 1.00 0.00 C ATOM 216 C LYS A 145 5.106 -0.063 11.074 1.00 0.00 C ATOM 217 O LYS A 145 6.281 -0.311 11.345 1.00 0.00 O ATOM 218 CB LYS A 145 4.070 0.758 13.276 1.00 0.00 C ATOM 219 CG LYS A 145 3.410 2.087 12.887 1.00 0.00 C ATOM 220 CD LYS A 145 3.269 2.979 14.127 1.00 0.00 C ATOM 221 CE LYS A 145 2.538 4.280 13.780 1.00 0.00 C ATOM 222 NZ LYS A 145 2.311 5.103 14.981 1.00 0.00 N ATOM 0 H LYS A 145 4.672 -1.643 13.550 1.00 0.00 H new ATOM 0 HA LYS A 145 3.048 -0.111 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 145 3.569 0.346 14.152 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.108 0.936 13.557 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.009 2.593 12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 145 2.430 1.902 12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.722 2.445 14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 145 4.255 3.207 14.531 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.122 4.845 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 145 1.583 4.048 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 1.814 5.977 14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 1.733 4.571 15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.225 5.343 15.415 1.00 0.00 H new ATOM 236 N HIS A 146 4.725 0.310 9.852 1.00 0.00 N ATOM 237 CA HIS A 146 5.627 0.479 8.725 1.00 0.00 C ATOM 238 C HIS A 146 5.293 1.804 8.055 1.00 0.00 C ATOM 239 O HIS A 146 4.127 2.078 7.779 1.00 0.00 O ATOM 240 CB HIS A 146 5.447 -0.676 7.732 1.00 0.00 C ATOM 241 CG HIS A 146 5.580 -2.055 8.332 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.284 -2.390 9.467 1.00 0.00 N ATOM 243 CD2 HIS A 146 5.006 -3.201 7.851 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.139 -3.712 9.657 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.370 -4.249 8.696 1.00 0.00 N ATOM 0 H HIS A 146 3.752 0.507 9.618 1.00 0.00 H new ATOM 0 HA HIS A 146 6.663 0.478 9.063 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.463 -0.589 7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 146 6.183 -0.569 6.935 1.00 0.00 H new ATOM 0 HD1 HIS A 146 6.818 -1.751 10.056 1.00 0.00 H new ATOM 0 HD2 HIS A 146 4.382 -3.280 6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.581 -4.267 10.471 1.00 0.00 H new ATOM 253 N TYR A 147 6.306 2.639 7.815 1.00 0.00 N ATOM 254 CA TYR A 147 6.139 3.939 7.172 1.00 0.00 C ATOM 255 C TYR A 147 5.030 4.758 7.845 1.00 0.00 C ATOM 256 O TYR A 147 4.302 5.493 7.184 1.00 0.00 O ATOM 257 CB TYR A 147 5.916 3.734 5.664 1.00 0.00 C ATOM 258 CG TYR A 147 6.914 2.801 4.991 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.268 2.811 5.377 1.00 0.00 C ATOM 260 CD2 TYR A 147 6.493 1.916 3.980 1.00 0.00 C ATOM 261 CE1 TYR A 147 9.205 2.016 4.707 1.00 0.00 C ATOM 262 CE2 TYR A 147 7.432 1.096 3.325 1.00 0.00 C ATOM 263 CZ TYR A 147 8.793 1.172 3.666 1.00 0.00 C ATOM 264 OH TYR A 147 9.702 0.393 3.022 1.00 0.00 O ATOM 0 H TYR A 147 7.272 2.428 8.064 1.00 0.00 H new ATOM 0 HA TYR A 147 7.047 4.529 7.294 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.911 3.340 5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 147 5.957 4.705 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.586 3.437 6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 147 5.449 1.866 3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 147 10.246 2.053 4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 147 7.106 0.408 2.559 1.00 0.00 H new ATOM 0 HH TYR A 147 10.595 0.561 3.389 1.00 0.00 H new ATOM 274 N GLY A 148 4.927 4.632 9.174 1.00 0.00 N ATOM 275 CA GLY A 148 3.969 5.349 9.999 1.00 0.00 C ATOM 276 C GLY A 148 2.573 4.719 10.076 1.00 0.00 C ATOM 277 O GLY A 148 1.720 5.284 10.755 1.00 0.00 O ATOM 0 H GLY A 148 5.529 4.009 9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 148 4.371 5.428 11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.871 6.364 9.615 1.00 0.00 H new ATOM 281 N VAL A 149 2.312 3.583 9.415 1.00 0.00 N ATOM 282 CA VAL A 149 0.988 2.962 9.396 1.00 0.00 C ATOM 283 C VAL A 149 1.085 1.460 9.700 1.00 0.00 C ATOM 284 O VAL A 149 2.025 0.795 9.272 1.00 0.00 O ATOM 285 CB VAL A 149 0.349 3.228 8.021 1.00 0.00 C ATOM 286 CG1 VAL A 149 -1.038 2.593 7.903 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.224 4.731 7.722 1.00 0.00 C ATOM 0 H VAL A 149 3.014 3.072 8.880 1.00 0.00 H new ATOM 0 HA VAL A 149 0.358 3.395 10.173 1.00 0.00 H new ATOM 0 HB VAL A 149 1.020 2.772 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.453 2.805 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.957 1.514 8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.694 3.006 8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -0.232 4.870 6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -0.399 5.203 8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.214 5.187 7.730 1.00 0.00 H new ATOM 297 N TYR A 150 0.114 0.906 10.435 1.00 0.00 N ATOM 298 CA TYR A 150 0.075 -0.518 10.755 1.00 0.00 C ATOM 299 C TYR A 150 -0.072 -1.330 9.469 1.00 0.00 C ATOM 300 O TYR A 150 -1.042 -1.147 8.730 1.00 0.00 O ATOM 301 CB TYR A 150 -1.056 -0.801 11.750 1.00 0.00 C ATOM 302 CG TYR A 150 -0.815 -0.173 13.108 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.226 -0.659 13.921 1.00 0.00 C ATOM 304 CD2 TYR A 150 -1.566 0.939 13.531 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.559 0.006 15.113 1.00 0.00 C ATOM 306 CE2 TYR A 150 -1.245 1.592 14.732 1.00 0.00 C ATOM 307 CZ TYR A 150 -0.169 1.137 15.513 1.00 0.00 C ATOM 308 OH TYR A 150 0.179 1.793 16.655 1.00 0.00 O ATOM 0 H TYR A 150 -0.666 1.436 10.823 1.00 0.00 H new ATOM 0 HA TYR A 150 1.009 -0.818 11.231 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.995 -0.425 11.343 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.169 -1.879 11.868 1.00 0.00 H new ATOM 0 HD1 TYR A 150 0.770 -1.545 13.628 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -2.392 1.291 12.930 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.376 -0.353 15.722 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -1.825 2.444 15.055 1.00 0.00 H new ATOM 0 HH TYR A 150 -0.422 2.555 16.791 1.00 0.00 H new ATOM 318 N SER A 151 0.896 -2.204 9.176 1.00 0.00 N ATOM 319 CA SER A 151 0.909 -2.971 7.943 1.00 0.00 C ATOM 320 C SER A 151 1.637 -4.301 8.119 1.00 0.00 C ATOM 321 O SER A 151 2.197 -4.590 9.176 1.00 0.00 O ATOM 322 CB SER A 151 1.526 -2.097 6.842 1.00 0.00 C ATOM 323 OG SER A 151 1.602 -2.765 5.594 1.00 0.00 O ATOM 0 H SER A 151 1.688 -2.394 9.791 1.00 0.00 H new ATOM 0 HA SER A 151 -0.108 -3.235 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 151 0.933 -1.190 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 151 2.526 -1.788 7.146 1.00 0.00 H new ATOM 0 HG SER A 151 0.726 -3.145 5.372 1.00 0.00 H new ATOM 329 N CYS A 152 1.623 -5.102 7.052 1.00 0.00 N ATOM 330 CA CYS A 152 2.313 -6.376 6.954 1.00 0.00 C ATOM 331 C CYS A 152 3.540 -6.202 6.062 1.00 0.00 C ATOM 332 O CYS A 152 3.531 -5.347 5.171 1.00 0.00 O ATOM 333 CB CYS A 152 1.379 -7.478 6.433 1.00 0.00 C ATOM 334 SG CYS A 152 0.540 -7.169 4.856 1.00 0.00 S ATOM 0 H CYS A 152 1.109 -4.866 6.203 1.00 0.00 H new ATOM 0 HA CYS A 152 2.637 -6.693 7.945 1.00 0.00 H new ATOM 0 HB2 CYS A 152 1.960 -8.395 6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 152 0.618 -7.663 7.191 1.00 0.00 H new ATOM 0 HG CYS A 152 -0.232 -6.129 4.972 1.00 0.00 H new ATOM 339 N GLU A 153 4.587 -7.003 6.294 1.00 0.00 N ATOM 340 CA GLU A 153 5.815 -6.931 5.505 1.00 0.00 C ATOM 341 C GLU A 153 5.524 -7.023 4.004 1.00 0.00 C ATOM 342 O GLU A 153 6.149 -6.326 3.212 1.00 0.00 O ATOM 343 CB GLU A 153 6.821 -8.019 5.911 1.00 0.00 C ATOM 344 CG GLU A 153 7.310 -7.929 7.364 1.00 0.00 C ATOM 345 CD GLU A 153 7.950 -6.591 7.735 1.00 0.00 C ATOM 346 OE1 GLU A 153 8.543 -5.960 6.834 1.00 0.00 O ATOM 347 OE2 GLU A 153 7.851 -6.237 8.929 1.00 0.00 O ATOM 0 H GLU A 153 4.604 -7.712 7.027 1.00 0.00 H new ATOM 0 HA GLU A 153 6.262 -5.959 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 153 6.362 -8.995 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 153 7.684 -7.963 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 153 6.467 -8.111 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 153 8.033 -8.725 7.541 1.00 0.00 H new ATOM 354 N GLY A 154 4.569 -7.867 3.603 1.00 0.00 N ATOM 355 CA GLY A 154 4.190 -7.999 2.202 1.00 0.00 C ATOM 356 C GLY A 154 3.775 -6.643 1.624 1.00 0.00 C ATOM 357 O GLY A 154 4.244 -6.232 0.562 1.00 0.00 O ATOM 0 H GLY A 154 4.044 -8.470 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 154 5.026 -8.403 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 154 3.367 -8.707 2.108 1.00 0.00 H new ATOM 361 N CYS A 155 2.915 -5.924 2.351 1.00 0.00 N ATOM 362 CA CYS A 155 2.465 -4.602 1.950 1.00 0.00 C ATOM 363 C CYS A 155 3.621 -3.608 2.003 1.00 0.00 C ATOM 364 O CYS A 155 3.729 -2.764 1.116 1.00 0.00 O ATOM 365 CB CYS A 155 1.266 -4.155 2.779 1.00 0.00 C ATOM 366 SG CYS A 155 -0.304 -4.727 2.087 1.00 0.00 S ATOM 0 H CYS A 155 2.516 -6.248 3.232 1.00 0.00 H new ATOM 0 HA CYS A 155 2.125 -4.644 0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.370 -4.532 3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.257 -3.067 2.842 1.00 0.00 H new ATOM 0 HG CYS A 155 -0.907 -5.488 2.951 1.00 0.00 H new ATOM 371 N LYS A 156 4.497 -3.718 3.008 1.00 0.00 N ATOM 372 CA LYS A 156 5.678 -2.869 3.093 1.00 0.00 C ATOM 373 C LYS A 156 6.489 -3.017 1.802 1.00 0.00 C ATOM 374 O LYS A 156 6.782 -2.027 1.138 1.00 0.00 O ATOM 375 CB LYS A 156 6.515 -3.229 4.327 1.00 0.00 C ATOM 376 CG LYS A 156 7.578 -2.162 4.604 1.00 0.00 C ATOM 377 CD LYS A 156 8.438 -2.592 5.794 1.00 0.00 C ATOM 378 CE LYS A 156 9.481 -1.518 6.118 1.00 0.00 C ATOM 379 NZ LYS A 156 10.330 -1.925 7.251 1.00 0.00 N ATOM 0 H LYS A 156 4.405 -4.388 3.771 1.00 0.00 H new ATOM 0 HA LYS A 156 5.377 -1.827 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.863 -3.331 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.996 -4.195 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 156 8.204 -2.020 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 156 7.101 -1.205 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.805 -2.766 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 156 8.936 -3.535 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 156 10.103 -1.335 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 156 8.979 -0.580 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 11.027 -1.179 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 9.737 -2.076 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 10.826 -2.808 7.014 1.00 0.00 H new ATOM 393 N GLY A 157 6.825 -4.259 1.439 1.00 0.00 N ATOM 394 CA GLY A 157 7.568 -4.596 0.236 1.00 0.00 C ATOM 395 C GLY A 157 6.864 -4.052 -1.004 1.00 0.00 C ATOM 396 O GLY A 157 7.472 -3.346 -1.804 1.00 0.00 O ATOM 0 H GLY A 157 6.577 -5.077 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.576 -4.185 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.670 -5.678 0.157 1.00 0.00 H new ATOM 400 N PHE A 158 5.574 -4.369 -1.149 1.00 0.00 N ATOM 401 CA PHE A 158 4.745 -3.886 -2.248 1.00 0.00 C ATOM 402 C PHE A 158 4.883 -2.368 -2.380 1.00 0.00 C ATOM 403 O PHE A 158 5.220 -1.868 -3.454 1.00 0.00 O ATOM 404 CB PHE A 158 3.284 -4.291 -2.006 1.00 0.00 C ATOM 405 CG PHE A 158 2.244 -3.404 -2.666 1.00 0.00 C ATOM 406 CD1 PHE A 158 2.016 -3.492 -4.051 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.594 -2.403 -1.914 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.114 -2.611 -4.670 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.749 -1.478 -2.549 1.00 0.00 C ATOM 410 CZ PHE A 158 0.502 -1.589 -3.926 1.00 0.00 C ATOM 0 H PHE A 158 5.074 -4.975 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 158 5.077 -4.337 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 158 3.144 -5.312 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 158 3.100 -4.300 -0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.534 -4.236 -4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.747 -2.348 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.890 -2.720 -5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.291 -0.683 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.159 -0.888 -4.414 1.00 0.00 H new ATOM 420 N PHE A 159 4.620 -1.640 -1.292 1.00 0.00 N ATOM 421 CA PHE A 159 4.693 -0.189 -1.268 1.00 0.00 C ATOM 422 C PHE A 159 6.094 0.258 -1.673 1.00 0.00 C ATOM 423 O PHE A 159 6.229 1.076 -2.572 1.00 0.00 O ATOM 424 CB PHE A 159 4.300 0.346 0.112 1.00 0.00 C ATOM 425 CG PHE A 159 4.237 1.861 0.195 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.118 2.553 -0.306 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.275 2.581 0.814 1.00 0.00 C ATOM 428 CE1 PHE A 159 2.996 3.940 -0.102 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.118 3.949 1.087 1.00 0.00 C ATOM 430 CZ PHE A 159 3.980 4.633 0.623 1.00 0.00 C ATOM 0 H PHE A 159 4.349 -2.051 -0.399 1.00 0.00 H new ATOM 0 HA PHE A 159 3.984 0.224 -1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.327 -0.063 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 159 5.016 -0.018 0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.352 2.018 -0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.194 2.080 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.146 4.472 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.871 4.476 1.653 1.00 0.00 H new ATOM 0 HZ PHE A 159 3.863 5.688 0.823 1.00 0.00 H new ATOM 440 N LYS A 160 7.132 -0.293 -1.041 1.00 0.00 N ATOM 441 CA LYS A 160 8.518 0.022 -1.335 1.00 0.00 C ATOM 442 C LYS A 160 8.798 -0.097 -2.837 1.00 0.00 C ATOM 443 O LYS A 160 9.204 0.872 -3.474 1.00 0.00 O ATOM 444 CB LYS A 160 9.409 -0.883 -0.472 1.00 0.00 C ATOM 445 CG LYS A 160 10.846 -0.371 -0.374 1.00 0.00 C ATOM 446 CD LYS A 160 11.677 -1.178 0.627 1.00 0.00 C ATOM 447 CE LYS A 160 11.720 -2.687 0.346 1.00 0.00 C ATOM 448 NZ LYS A 160 12.031 -2.989 -1.061 1.00 0.00 N ATOM 0 H LYS A 160 7.023 -0.983 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 160 8.743 1.058 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.984 -0.957 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.413 -1.889 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.315 -0.419 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.837 0.677 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.696 -0.792 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 160 11.274 -1.018 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 160 12.468 -3.152 0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 160 10.758 -3.129 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.442 -3.942 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 11.159 -2.947 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.712 -2.291 -1.423 1.00 0.00 H new ATOM 462 N ARG A 161 8.558 -1.275 -3.412 1.00 0.00 N ATOM 463 CA ARG A 161 8.764 -1.536 -4.829 1.00 0.00 C ATOM 464 C ARG A 161 7.971 -0.542 -5.683 1.00 0.00 C ATOM 465 O ARG A 161 8.524 0.110 -6.572 1.00 0.00 O ATOM 466 CB ARG A 161 8.347 -2.980 -5.126 1.00 0.00 C ATOM 467 CG ARG A 161 9.295 -3.989 -4.464 1.00 0.00 C ATOM 468 CD ARG A 161 8.695 -5.396 -4.520 1.00 0.00 C ATOM 469 NE ARG A 161 9.579 -6.369 -3.867 1.00 0.00 N ATOM 470 CZ ARG A 161 9.270 -7.657 -3.661 1.00 0.00 C ATOM 471 NH1 ARG A 161 8.094 -8.143 -4.072 1.00 0.00 N ATOM 472 NH2 ARG A 161 10.145 -8.455 -3.041 1.00 0.00 N ATOM 0 H ARG A 161 8.210 -2.083 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 161 9.817 -1.407 -5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 161 7.331 -3.147 -4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 161 8.337 -3.142 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 161 10.260 -3.977 -4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 161 9.475 -3.704 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 161 7.720 -5.400 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 161 8.533 -5.685 -5.558 1.00 0.00 H new ATOM 0 HE ARG A 161 10.491 -6.043 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 161 7.427 -7.533 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 161 7.864 -9.124 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 161 11.042 -8.083 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 161 9.916 -9.436 -2.881 1.00 0.00 H new ATOM 486 N THR A 162 6.671 -0.425 -5.401 1.00 0.00 N ATOM 487 CA THR A 162 5.774 0.474 -6.107 1.00 0.00 C ATOM 488 C THR A 162 6.331 1.896 -6.121 1.00 0.00 C ATOM 489 O THR A 162 6.411 2.505 -7.181 1.00 0.00 O ATOM 490 CB THR A 162 4.379 0.429 -5.470 1.00 0.00 C ATOM 491 OG1 THR A 162 3.850 -0.877 -5.592 1.00 0.00 O ATOM 492 CG2 THR A 162 3.423 1.423 -6.129 1.00 0.00 C ATOM 0 H THR A 162 6.212 -0.962 -4.665 1.00 0.00 H new ATOM 0 HA THR A 162 5.689 0.145 -7.143 1.00 0.00 H new ATOM 0 HB THR A 162 4.481 0.703 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.222 -1.448 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.446 1.361 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.817 2.434 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.324 1.185 -7.188 1.00 0.00 H new ATOM 500 N VAL A 163 6.696 2.419 -4.951 1.00 0.00 N ATOM 501 CA VAL A 163 7.208 3.764 -4.757 1.00 0.00 C ATOM 502 C VAL A 163 8.525 3.960 -5.498 1.00 0.00 C ATOM 503 O VAL A 163 8.658 4.930 -6.242 1.00 0.00 O ATOM 504 CB VAL A 163 7.347 4.036 -3.252 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.230 5.251 -2.928 1.00 0.00 C ATOM 506 CG2 VAL A 163 5.957 4.259 -2.648 1.00 0.00 C ATOM 0 H VAL A 163 6.638 1.891 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 163 6.507 4.486 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 163 7.834 3.162 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.284 5.384 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.232 5.088 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 163 7.801 6.144 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.051 4.452 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.483 5.114 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.346 3.370 -2.803 1.00 0.00 H new ATOM 516 N ARG A 164 9.486 3.049 -5.290 1.00 0.00 N ATOM 517 CA ARG A 164 10.804 3.107 -5.917 1.00 0.00 C ATOM 518 C ARG A 164 10.711 3.401 -7.414 1.00 0.00 C ATOM 519 O ARG A 164 11.458 4.229 -7.932 1.00 0.00 O ATOM 520 CB ARG A 164 11.567 1.790 -5.713 1.00 0.00 C ATOM 521 CG ARG A 164 12.219 1.698 -4.328 1.00 0.00 C ATOM 522 CD ARG A 164 12.996 0.388 -4.152 1.00 0.00 C ATOM 523 NE ARG A 164 14.001 0.194 -5.207 1.00 0.00 N ATOM 524 CZ ARG A 164 14.757 -0.902 -5.360 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.713 -1.888 -4.458 1.00 0.00 N ATOM 526 NH2 ARG A 164 15.560 -1.004 -6.422 1.00 0.00 N ATOM 0 H ARG A 164 9.364 2.245 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 164 11.343 3.922 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.882 0.953 -5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.336 1.697 -6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.893 2.543 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.450 1.771 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 164 13.488 0.387 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 164 12.299 -0.450 -4.158 1.00 0.00 H new ATOM 0 HE ARG A 164 14.133 0.953 -5.875 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.101 -1.809 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 164 15.292 -2.719 -4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 164 15.595 -0.251 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 164 16.139 -1.835 -6.546 1.00 0.00 H new ATOM 540 N LYS A 165 9.814 2.684 -8.090 1.00 0.00 N ATOM 541 CA LYS A 165 9.572 2.797 -9.523 1.00 0.00 C ATOM 542 C LYS A 165 8.445 3.788 -9.853 1.00 0.00 C ATOM 543 O LYS A 165 8.299 4.178 -11.007 1.00 0.00 O ATOM 544 CB LYS A 165 9.200 1.401 -10.037 1.00 0.00 C ATOM 545 CG LYS A 165 10.426 0.515 -10.282 1.00 0.00 C ATOM 546 CD LYS A 165 10.911 0.705 -11.726 1.00 0.00 C ATOM 547 CE LYS A 165 12.159 -0.130 -12.032 1.00 0.00 C ATOM 548 NZ LYS A 165 13.324 0.316 -11.246 1.00 0.00 N ATOM 0 H LYS A 165 9.219 1.988 -7.640 1.00 0.00 H new ATOM 0 HA LYS A 165 10.472 3.178 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.544 0.915 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.636 1.498 -10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 165 11.221 0.773 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 165 10.174 -0.531 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 165 10.113 0.428 -12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.130 1.759 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 165 11.956 -1.179 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 165 12.390 -0.062 -13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 14.179 -0.167 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 13.441 1.344 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 13.175 0.086 -10.243 1.00 0.00 H new ATOM 562 N ASP A 166 7.611 4.129 -8.866 1.00 0.00 N ATOM 563 CA ASP A 166 6.389 4.910 -9.004 1.00 0.00 C ATOM 564 C ASP A 166 5.494 4.218 -10.032 1.00 0.00 C ATOM 565 O ASP A 166 5.085 4.814 -11.026 1.00 0.00 O ATOM 566 CB ASP A 166 6.664 6.385 -9.318 1.00 0.00 C ATOM 567 CG ASP A 166 5.381 7.216 -9.276 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.497 6.876 -8.453 1.00 0.00 O ATOM 569 OD2 ASP A 166 5.311 8.192 -10.053 1.00 0.00 O ATOM 0 H ASP A 166 7.784 3.850 -7.900 1.00 0.00 H new ATOM 0 HA ASP A 166 5.862 4.942 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.380 6.783 -8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 166 7.121 6.469 -10.304 1.00 0.00 H new ATOM 574 N LEU A 167 5.230 2.929 -9.797 1.00 0.00 N ATOM 575 CA LEU A 167 4.473 2.107 -10.733 1.00 0.00 C ATOM 576 C LEU A 167 3.092 2.684 -11.030 1.00 0.00 C ATOM 577 O LEU A 167 2.236 2.810 -10.153 1.00 0.00 O ATOM 578 CB LEU A 167 4.401 0.639 -10.297 1.00 0.00 C ATOM 579 CG LEU A 167 5.771 -0.058 -10.322 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.617 -1.498 -9.822 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.387 -0.085 -11.731 1.00 0.00 C ATOM 0 H LEU A 167 5.534 2.434 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 167 5.028 2.127 -11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 167 3.989 0.584 -9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.714 0.103 -10.952 1.00 0.00 H new ATOM 0 HG LEU A 167 6.438 0.511 -9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.587 -1.995 -9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.231 -1.490 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.923 -2.035 -10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.354 -0.588 -11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 167 5.723 -0.622 -12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.522 0.936 -12.089 1.00 0.00 H new ATOM 593 N THR A 168 2.888 3.023 -12.302 1.00 0.00 N ATOM 594 CA THR A 168 1.671 3.612 -12.815 1.00 0.00 C ATOM 595 C THR A 168 0.595 2.538 -12.949 1.00 0.00 C ATOM 596 O THR A 168 0.253 2.131 -14.059 1.00 0.00 O ATOM 597 CB THR A 168 1.992 4.271 -14.160 1.00 0.00 C ATOM 598 OG1 THR A 168 2.610 3.314 -14.997 1.00 0.00 O ATOM 599 CG2 THR A 168 2.941 5.458 -13.974 1.00 0.00 C ATOM 0 H THR A 168 3.597 2.886 -13.023 1.00 0.00 H new ATOM 0 HA THR A 168 1.285 4.371 -12.134 1.00 0.00 H new ATOM 0 HB THR A 168 1.066 4.634 -14.605 1.00 0.00 H new ATOM 0 HG1 THR A 168 2.017 2.541 -15.103 1.00 0.00 H new ATOM 0 HG21 THR A 168 3.154 5.909 -14.943 1.00 0.00 H new ATOM 0 HG22 THR A 168 2.475 6.198 -13.324 1.00 0.00 H new ATOM 0 HG23 THR A 168 3.871 5.113 -13.522 1.00 0.00 H new ATOM 607 N TYR A 169 0.065 2.080 -11.817 1.00 0.00 N ATOM 608 CA TYR A 169 -1.006 1.097 -11.805 1.00 0.00 C ATOM 609 C TYR A 169 -2.315 1.812 -12.162 1.00 0.00 C ATOM 610 O TYR A 169 -2.421 3.030 -12.009 1.00 0.00 O ATOM 611 CB TYR A 169 -1.142 0.499 -10.401 1.00 0.00 C ATOM 612 CG TYR A 169 0.086 -0.124 -9.772 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.777 -1.162 -10.427 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.383 0.165 -8.427 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.750 -1.907 -9.737 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.330 -0.600 -7.733 1.00 0.00 C ATOM 617 CZ TYR A 169 2.035 -1.618 -8.392 1.00 0.00 C ATOM 618 OH TYR A 169 2.912 -2.391 -7.696 1.00 0.00 O ATOM 0 H TYR A 169 0.366 2.380 -10.890 1.00 0.00 H new ATOM 0 HA TYR A 169 -0.789 0.302 -12.519 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.495 1.287 -9.735 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.922 -0.262 -10.436 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.559 -1.386 -11.461 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.121 0.979 -7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.279 -2.702 -10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.518 -0.405 -6.687 1.00 0.00 H new ATOM 0 HH TYR A 169 3.287 -1.873 -6.954 1.00 0.00 H new ATOM 628 N THR A 170 -3.332 1.078 -12.623 1.00 0.00 N ATOM 629 CA THR A 170 -4.625 1.662 -12.961 1.00 0.00 C ATOM 630 C THR A 170 -5.732 0.616 -12.813 1.00 0.00 C ATOM 631 O THR A 170 -5.851 -0.285 -13.643 1.00 0.00 O ATOM 632 CB THR A 170 -4.591 2.251 -14.384 1.00 0.00 C ATOM 633 OG1 THR A 170 -3.511 3.152 -14.529 1.00 0.00 O ATOM 634 CG2 THR A 170 -5.881 3.009 -14.712 1.00 0.00 C ATOM 0 H THR A 170 -3.279 0.070 -12.770 1.00 0.00 H new ATOM 0 HA THR A 170 -4.840 2.477 -12.270 1.00 0.00 H new ATOM 0 HB THR A 170 -4.478 1.408 -15.066 1.00 0.00 H new ATOM 0 HG1 THR A 170 -3.507 3.513 -15.440 1.00 0.00 H new ATOM 0 HG21 THR A 170 -5.820 3.410 -15.724 1.00 0.00 H new ATOM 0 HG22 THR A 170 -6.730 2.329 -14.642 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.012 3.828 -14.004 1.00 0.00 H new ATOM 642 N CYS A 171 -6.568 0.753 -11.780 1.00 0.00 N ATOM 643 CA CYS A 171 -7.730 -0.105 -11.585 1.00 0.00 C ATOM 644 C CYS A 171 -8.829 0.397 -12.528 1.00 0.00 C ATOM 645 O CYS A 171 -8.757 1.518 -13.027 1.00 0.00 O ATOM 646 CB CYS A 171 -8.156 -0.050 -10.111 1.00 0.00 C ATOM 647 SG CYS A 171 -9.634 -0.967 -9.602 1.00 0.00 S ATOM 0 H CYS A 171 -6.454 1.464 -11.057 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.514 -1.148 -11.816 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.320 -0.410 -9.511 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.309 0.997 -9.849 1.00 0.00 H new ATOM 0 HG CYS A 171 -9.359 -1.686 -8.554 1.00 0.00 H new ATOM 652 N ARG A 172 -9.845 -0.430 -12.784 1.00 0.00 N ATOM 653 CA ARG A 172 -10.943 -0.067 -13.676 1.00 0.00 C ATOM 654 C ARG A 172 -11.751 1.122 -13.140 1.00 0.00 C ATOM 655 O ARG A 172 -12.443 1.790 -13.905 1.00 0.00 O ATOM 656 CB ARG A 172 -11.842 -1.281 -13.931 1.00 0.00 C ATOM 657 CG ARG A 172 -11.110 -2.525 -14.464 1.00 0.00 C ATOM 658 CD ARG A 172 -10.328 -2.275 -15.762 1.00 0.00 C ATOM 659 NE ARG A 172 -9.009 -1.675 -15.506 1.00 0.00 N ATOM 660 CZ ARG A 172 -8.179 -1.215 -16.453 1.00 0.00 C ATOM 661 NH1 ARG A 172 -8.523 -1.288 -17.743 1.00 0.00 N ATOM 662 NH2 ARG A 172 -7.002 -0.684 -16.106 1.00 0.00 N ATOM 0 H ARG A 172 -9.928 -1.363 -12.381 1.00 0.00 H new ATOM 0 HA ARG A 172 -10.511 0.251 -14.625 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -12.346 -1.544 -13.001 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -12.616 -0.999 -14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -10.422 -2.885 -13.700 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -11.838 -3.318 -14.636 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -10.200 -3.217 -16.295 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -10.905 -1.617 -16.412 1.00 0.00 H new ATOM 0 HE ARG A 172 -8.703 -1.604 -14.535 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -9.420 -1.695 -18.009 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -7.889 -0.937 -18.461 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -6.737 -0.630 -15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -6.369 -0.333 -16.825 1.00 0.00 H new ATOM 676 N ASP A 173 -11.648 1.397 -11.837 1.00 0.00 N ATOM 677 CA ASP A 173 -12.278 2.517 -11.157 1.00 0.00 C ATOM 678 C ASP A 173 -11.192 3.219 -10.350 1.00 0.00 C ATOM 679 O ASP A 173 -10.146 2.630 -10.081 1.00 0.00 O ATOM 680 CB ASP A 173 -13.394 2.026 -10.232 1.00 0.00 C ATOM 681 CG ASP A 173 -14.538 1.383 -11.008 1.00 0.00 C ATOM 682 OD1 ASP A 173 -14.457 0.155 -11.228 1.00 0.00 O ATOM 683 OD2 ASP A 173 -15.473 2.133 -11.363 1.00 0.00 O ATOM 0 H ASP A 173 -11.098 0.816 -11.205 1.00 0.00 H new ATOM 0 HA ASP A 173 -12.729 3.199 -11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.986 1.305 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.777 2.864 -9.650 1.00 0.00 H new ATOM 688 N ASN A 174 -11.439 4.465 -9.944 1.00 0.00 N ATOM 689 CA ASN A 174 -10.470 5.220 -9.160 1.00 0.00 C ATOM 690 C ASN A 174 -10.507 4.760 -7.701 1.00 0.00 C ATOM 691 O ASN A 174 -11.242 3.838 -7.342 1.00 0.00 O ATOM 692 CB ASN A 174 -10.720 6.730 -9.308 1.00 0.00 C ATOM 693 CG ASN A 174 -10.132 7.267 -10.609 1.00 0.00 C ATOM 694 OD1 ASN A 174 -10.863 7.690 -11.497 1.00 0.00 O ATOM 695 ND2 ASN A 174 -8.807 7.258 -10.732 1.00 0.00 N ATOM 0 H ASN A 174 -12.302 4.970 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 174 -9.465 5.027 -9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -11.792 6.927 -9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -10.279 7.258 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.372 7.610 -11.584 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -8.227 6.899 -9.974 1.00 0.00 H new ATOM 702 N LYS A 175 -9.702 5.407 -6.850 1.00 0.00 N ATOM 703 CA LYS A 175 -9.520 5.113 -5.426 1.00 0.00 C ATOM 704 C LYS A 175 -10.793 5.038 -4.557 1.00 0.00 C ATOM 705 O LYS A 175 -10.686 4.836 -3.352 1.00 0.00 O ATOM 706 CB LYS A 175 -8.472 6.071 -4.845 1.00 0.00 C ATOM 707 CG LYS A 175 -8.949 7.529 -4.794 1.00 0.00 C ATOM 708 CD LYS A 175 -7.811 8.421 -4.280 1.00 0.00 C ATOM 709 CE LYS A 175 -8.270 9.868 -4.067 1.00 0.00 C ATOM 710 NZ LYS A 175 -8.709 10.501 -5.324 1.00 0.00 N ATOM 0 H LYS A 175 -9.129 6.194 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 175 -9.167 4.083 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -8.210 5.746 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -7.564 6.013 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -9.262 7.856 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -9.817 7.616 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -7.431 8.019 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -6.986 8.403 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -9.088 9.886 -3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -7.453 10.447 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -8.946 11.498 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -7.943 10.447 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -9.548 10.005 -5.688 1.00 0.00 H new ATOM 724 N ASP A 176 -11.988 5.113 -5.148 1.00 0.00 N ATOM 725 CA ASP A 176 -13.248 4.888 -4.460 1.00 0.00 C ATOM 726 C ASP A 176 -13.395 3.375 -4.251 1.00 0.00 C ATOM 727 O ASP A 176 -14.052 2.944 -3.306 1.00 0.00 O ATOM 728 CB ASP A 176 -14.398 5.436 -5.311 1.00 0.00 C ATOM 729 CG ASP A 176 -15.749 5.148 -4.663 1.00 0.00 C ATOM 730 OD1 ASP A 176 -16.063 5.845 -3.675 1.00 0.00 O ATOM 731 OD2 ASP A 176 -16.441 4.241 -5.176 1.00 0.00 O ATOM 0 H ASP A 176 -12.102 5.336 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 176 -13.270 5.399 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -14.276 6.511 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -14.365 4.988 -6.304 1.00 0.00 H new ATOM 736 N CYS A 177 -12.733 2.565 -5.090 1.00 0.00 N ATOM 737 CA CYS A 177 -12.664 1.108 -4.977 1.00 0.00 C ATOM 738 C CYS A 177 -11.677 0.747 -3.853 1.00 0.00 C ATOM 739 O CYS A 177 -10.696 0.031 -4.051 1.00 0.00 O ATOM 740 CB CYS A 177 -12.275 0.566 -6.363 1.00 0.00 C ATOM 741 SG CYS A 177 -11.875 -1.196 -6.544 1.00 0.00 S ATOM 0 H CYS A 177 -12.214 2.923 -5.892 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.613 0.650 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -13.096 0.788 -7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.412 1.136 -6.708 1.00 0.00 H new ATOM 0 HG CYS A 177 -11.090 -1.360 -7.567 1.00 0.00 H new ATOM 746 N LEU A 178 -11.949 1.272 -2.657 1.00 0.00 N ATOM 747 CA LEU A 178 -11.134 1.132 -1.460 1.00 0.00 C ATOM 748 C LEU A 178 -10.904 -0.334 -1.108 1.00 0.00 C ATOM 749 O LEU A 178 -11.827 -1.149 -1.144 1.00 0.00 O ATOM 750 CB LEU A 178 -11.804 1.854 -0.281 1.00 0.00 C ATOM 751 CG LEU A 178 -11.854 3.384 -0.440 1.00 0.00 C ATOM 752 CD1 LEU A 178 -12.830 3.967 0.587 1.00 0.00 C ATOM 753 CD2 LEU A 178 -10.474 4.023 -0.236 1.00 0.00 C ATOM 0 H LEU A 178 -12.785 1.833 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.163 1.585 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -12.820 1.476 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -11.267 1.610 0.636 1.00 0.00 H new ATOM 0 HG LEU A 178 -12.184 3.605 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -12.869 5.051 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -13.824 3.550 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -12.493 3.715 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -10.552 5.104 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -10.112 3.795 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -9.776 3.625 -0.973 1.00 0.00 H new ATOM 765 N ILE A 179 -9.661 -0.671 -0.763 1.00 0.00 N ATOM 766 CA ILE A 179 -9.301 -2.024 -0.380 1.00 0.00 C ATOM 767 C ILE A 179 -10.016 -2.378 0.924 1.00 0.00 C ATOM 768 O ILE A 179 -10.215 -1.528 1.790 1.00 0.00 O ATOM 769 CB ILE A 179 -7.777 -2.161 -0.250 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.039 -1.661 -1.499 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.346 -3.602 0.062 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.370 -2.437 -2.775 1.00 0.00 C ATOM 0 H ILE A 179 -8.883 -0.012 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.618 -2.725 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 179 -7.497 -1.528 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -7.281 -0.609 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -5.965 -1.718 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.260 -3.647 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.795 -3.920 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.677 -4.262 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -6.807 -2.021 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.102 -3.485 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.437 -2.359 -2.982 1.00 0.00 H new ATOM 784 N ASP A 180 -10.371 -3.652 1.049 1.00 0.00 N ATOM 785 CA ASP A 180 -11.028 -4.268 2.182 1.00 0.00 C ATOM 786 C ASP A 180 -10.494 -5.693 2.212 1.00 0.00 C ATOM 787 O ASP A 180 -9.935 -6.139 1.208 1.00 0.00 O ATOM 788 CB ASP A 180 -12.544 -4.301 1.932 1.00 0.00 C ATOM 789 CG ASP A 180 -13.250 -3.038 2.405 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.291 -2.068 1.619 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.768 -3.089 3.542 1.00 0.00 O ATOM 0 H ASP A 180 -10.191 -4.325 0.304 1.00 0.00 H new ATOM 0 HA ASP A 180 -10.845 -3.733 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.729 -4.437 0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.973 -5.164 2.442 1.00 0.00 H new ATOM 921 N CYS A 187 -5.532 -5.626 -6.646 1.00 0.00 N ATOM 922 CA CYS A 187 -6.017 -4.277 -6.886 1.00 0.00 C ATOM 923 C CYS A 187 -4.896 -3.288 -6.507 1.00 0.00 C ATOM 924 O CYS A 187 -5.057 -2.413 -5.656 1.00 0.00 O ATOM 925 CB CYS A 187 -7.319 -4.126 -6.089 1.00 0.00 C ATOM 926 SG CYS A 187 -8.459 -2.845 -6.650 1.00 0.00 S ATOM 0 HA CYS A 187 -6.254 -4.066 -7.929 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.843 -5.081 -6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -7.062 -3.923 -5.049 1.00 0.00 H new ATOM 0 HG CYS A 187 -9.511 -2.835 -5.886 1.00 0.00 H new ATOM 931 N GLN A 188 -3.731 -3.477 -7.138 1.00 0.00 N ATOM 932 CA GLN A 188 -2.483 -2.760 -6.888 1.00 0.00 C ATOM 933 C GLN A 188 -2.668 -1.242 -6.807 1.00 0.00 C ATOM 934 O GLN A 188 -2.215 -0.609 -5.855 1.00 0.00 O ATOM 935 CB GLN A 188 -1.438 -3.130 -7.954 1.00 0.00 C ATOM 936 CG GLN A 188 -1.164 -4.637 -8.098 1.00 0.00 C ATOM 937 CD GLN A 188 -0.754 -5.308 -6.789 1.00 0.00 C ATOM 938 OE1 GLN A 188 -1.579 -5.874 -6.075 1.00 0.00 O ATOM 939 NE2 GLN A 188 0.534 -5.267 -6.464 1.00 0.00 N ATOM 0 H GLN A 188 -3.632 -4.173 -7.877 1.00 0.00 H new ATOM 0 HA GLN A 188 -2.126 -3.074 -5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.770 -2.742 -8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.501 -2.627 -7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -2.059 -5.126 -8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -0.376 -4.786 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 188 1.199 -4.791 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 188 0.858 -5.712 -5.605 1.00 0.00 H new ATOM 948 N TYR A 189 -3.333 -0.652 -7.803 1.00 0.00 N ATOM 949 CA TYR A 189 -3.582 0.784 -7.834 1.00 0.00 C ATOM 950 C TYR A 189 -4.291 1.238 -6.562 1.00 0.00 C ATOM 951 O TYR A 189 -3.824 2.150 -5.887 1.00 0.00 O ATOM 952 CB TYR A 189 -4.396 1.144 -9.080 1.00 0.00 C ATOM 953 CG TYR A 189 -5.072 2.500 -9.033 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.364 3.693 -9.267 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.417 2.564 -8.650 1.00 0.00 C ATOM 956 CE1 TYR A 189 -5.041 4.930 -9.231 1.00 0.00 C ATOM 957 CE2 TYR A 189 -7.089 3.788 -8.610 1.00 0.00 C ATOM 958 CZ TYR A 189 -6.415 4.976 -8.926 1.00 0.00 C ATOM 959 OH TYR A 189 -7.050 6.171 -8.731 1.00 0.00 O ATOM 0 H TYR A 189 -3.711 -1.156 -8.605 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.627 1.307 -7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -3.737 1.113 -9.948 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.158 0.380 -9.231 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.304 3.662 -9.474 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -6.940 1.658 -8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -4.504 5.844 -9.438 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -8.133 3.819 -8.334 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.547 6.707 -8.083 1.00 0.00 H new ATOM 969 N CYS A 190 -5.420 0.612 -6.231 1.00 0.00 N ATOM 970 CA CYS A 190 -6.180 0.981 -5.052 1.00 0.00 C ATOM 971 C CYS A 190 -5.339 0.761 -3.792 1.00 0.00 C ATOM 972 O CYS A 190 -5.385 1.591 -2.888 1.00 0.00 O ATOM 973 CB CYS A 190 -7.517 0.245 -5.058 1.00 0.00 C ATOM 974 SG CYS A 190 -8.646 0.792 -6.370 1.00 0.00 S ATOM 0 H CYS A 190 -5.824 -0.155 -6.769 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.418 2.045 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.333 -0.823 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.002 0.384 -4.092 1.00 0.00 H new ATOM 0 HG CYS A 190 -9.658 -0.021 -6.438 1.00 0.00 H new ATOM 979 N ARG A 191 -4.534 -0.307 -3.733 1.00 0.00 N ATOM 980 CA ARG A 191 -3.630 -0.515 -2.603 1.00 0.00 C ATOM 981 C ARG A 191 -2.682 0.682 -2.458 1.00 0.00 C ATOM 982 O ARG A 191 -2.585 1.271 -1.381 1.00 0.00 O ATOM 983 CB ARG A 191 -2.837 -1.823 -2.747 1.00 0.00 C ATOM 984 CG ARG A 191 -3.702 -3.046 -2.441 1.00 0.00 C ATOM 985 CD ARG A 191 -2.881 -4.339 -2.411 1.00 0.00 C ATOM 986 NE ARG A 191 -3.609 -5.378 -1.667 1.00 0.00 N ATOM 987 CZ ARG A 191 -4.725 -5.985 -2.092 1.00 0.00 C ATOM 988 NH1 ARG A 191 -5.129 -5.837 -3.354 1.00 0.00 N ATOM 989 NH2 ARG A 191 -5.428 -6.755 -1.255 1.00 0.00 N ATOM 0 H ARG A 191 -4.492 -1.032 -4.449 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.234 -0.598 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.443 -1.900 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -1.981 -1.805 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.196 -2.908 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.486 -3.132 -3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -2.684 -4.678 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -1.914 -4.155 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 191 -3.236 -5.657 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -4.588 -5.261 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -5.979 -6.300 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -5.115 -6.880 -0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -6.278 -7.217 -1.579 1.00 0.00 H new ATOM 1003 N TYR A 192 -1.989 1.044 -3.540 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.053 2.162 -3.553 1.00 0.00 C ATOM 1005 C TYR A 192 -1.764 3.450 -3.131 1.00 0.00 C ATOM 1006 O TYR A 192 -1.331 4.137 -2.205 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.423 2.276 -4.951 1.00 0.00 C ATOM 1008 CG TYR A 192 0.618 3.366 -5.162 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.569 3.667 -4.166 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.756 3.939 -6.441 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.626 4.552 -4.443 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.829 4.802 -6.725 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.769 5.108 -5.727 1.00 0.00 C ATOM 1014 OH TYR A 192 3.842 5.902 -6.016 1.00 0.00 O ATOM 0 H TYR A 192 -2.065 0.564 -4.437 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.251 1.991 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 192 0.038 1.318 -5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.226 2.433 -5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.486 3.217 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 192 0.032 3.714 -7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.332 4.806 -3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.931 5.230 -7.711 1.00 0.00 H new ATOM 0 HH TYR A 192 3.847 6.109 -6.974 1.00 0.00 H new ATOM 1024 N GLN A 193 -2.872 3.774 -3.799 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.658 4.953 -3.492 1.00 0.00 C ATOM 1026 C GLN A 193 -4.075 4.982 -2.024 1.00 0.00 C ATOM 1027 O GLN A 193 -3.923 6.017 -1.380 1.00 0.00 O ATOM 1028 CB GLN A 193 -4.895 4.992 -4.394 1.00 0.00 C ATOM 1029 CG GLN A 193 -4.573 5.168 -5.883 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.431 6.629 -6.293 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -5.339 7.200 -6.895 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -3.292 7.246 -5.998 1.00 0.00 N ATOM 0 H GLN A 193 -3.244 3.219 -4.570 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.041 5.833 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.459 4.069 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.541 5.809 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -3.648 4.640 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.361 4.705 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -2.556 6.747 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -3.153 8.219 -6.272 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.602 3.879 -1.479 1.00 0.00 N ATOM 1042 CA LYS A 194 -5.037 3.889 -0.094 1.00 0.00 C ATOM 1043 C LYS A 194 -3.825 4.065 0.823 1.00 0.00 C ATOM 1044 O LYS A 194 -3.891 4.845 1.767 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.907 2.670 0.245 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.868 3.037 1.391 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.831 1.912 1.790 1.00 0.00 C ATOM 1048 CE LYS A 194 -7.075 0.719 2.378 1.00 0.00 C ATOM 1049 NZ LYS A 194 -7.982 -0.269 2.990 1.00 0.00 N ATOM 0 H LYS A 194 -4.732 2.993 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.692 4.744 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -6.472 2.356 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.278 1.829 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.282 3.324 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.450 3.910 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -8.549 2.286 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.401 1.591 0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -6.493 0.237 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -6.367 1.073 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -7.475 -1.166 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -8.314 0.087 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -8.798 -0.426 2.364 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.711 3.377 0.543 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.480 3.522 1.312 1.00 0.00 C ATOM 1065 C ALA A 195 -1.089 5.001 1.400 1.00 0.00 C ATOM 1066 O ALA A 195 -0.820 5.524 2.483 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.363 2.701 0.665 1.00 0.00 C ATOM 0 H ALA A 195 -2.643 2.707 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.640 3.149 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.554 2.814 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.651 1.650 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.195 3.054 -0.353 1.00 0.00 H new ATOM 1073 N LEU A 196 -1.085 5.682 0.249 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.777 7.100 0.193 1.00 0.00 C ATOM 1075 C LEU A 196 -1.806 7.897 0.999 1.00 0.00 C ATOM 1076 O LEU A 196 -1.436 8.701 1.851 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.720 7.562 -1.270 1.00 0.00 C ATOM 1078 CG LEU A 196 0.452 6.967 -2.071 1.00 0.00 C ATOM 1079 CD1 LEU A 196 0.249 7.295 -3.555 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.809 7.518 -1.615 1.00 0.00 C ATOM 0 H LEU A 196 -1.294 5.263 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 196 0.201 7.279 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.655 7.294 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.648 8.649 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 196 0.462 5.890 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 196 1.073 6.879 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.691 6.863 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 196 0.221 8.376 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.603 7.068 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.825 8.600 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.964 7.279 -0.563 1.00 0.00 H new ATOM 1092 N ALA A 197 -3.096 7.667 0.746 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.199 8.348 1.420 1.00 0.00 C ATOM 1094 C ALA A 197 -4.091 8.249 2.944 1.00 0.00 C ATOM 1095 O ALA A 197 -4.299 9.235 3.647 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.539 7.789 0.935 1.00 0.00 C ATOM 0 H ALA A 197 -3.408 6.988 0.052 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.140 9.406 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.354 8.304 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.629 7.942 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.590 6.723 1.156 1.00 0.00 H new ATOM 1102 N MET A 198 -3.757 7.062 3.459 1.00 0.00 N ATOM 1103 CA MET A 198 -3.597 6.818 4.890 1.00 0.00 C ATOM 1104 C MET A 198 -2.319 7.459 5.443 1.00 0.00 C ATOM 1105 O MET A 198 -2.100 7.441 6.652 1.00 0.00 O ATOM 1106 CB MET A 198 -3.651 5.311 5.164 1.00 0.00 C ATOM 1107 CG MET A 198 -5.065 4.783 4.886 1.00 0.00 C ATOM 1108 SD MET A 198 -5.358 3.020 5.125 1.00 0.00 S ATOM 1109 CE MET A 198 -4.036 2.318 4.122 1.00 0.00 C ATOM 0 H MET A 198 -3.589 6.236 2.885 1.00 0.00 H new ATOM 0 HA MET A 198 -4.423 7.295 5.418 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.929 4.791 4.535 1.00 0.00 H new ATOM 0 HB3 MET A 198 -3.375 5.110 6.199 1.00 0.00 H new ATOM 0 HG2 MET A 198 -5.759 5.329 5.525 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.319 5.029 3.855 1.00 0.00 H new ATOM 0 HE1 MET A 198 -4.294 1.296 3.843 1.00 0.00 H new ATOM 0 HE2 MET A 198 -3.905 2.918 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 198 -3.108 2.315 4.694 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.486 8.050 4.581 1.00 0.00 N ATOM 1120 CA GLY A 199 -0.298 8.767 4.987 1.00 0.00 C ATOM 1121 C GLY A 199 0.924 7.875 5.143 1.00 0.00 C ATOM 1122 O GLY A 199 1.795 8.205 5.948 1.00 0.00 O ATOM 0 H GLY A 199 -1.630 8.037 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 199 -0.081 9.542 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.493 9.272 5.933 1.00 0.00 H new ATOM 1126 N MET A 200 1.042 6.785 4.368 1.00 0.00 N ATOM 1127 CA MET A 200 2.276 6.011 4.428 1.00 0.00 C ATOM 1128 C MET A 200 3.413 6.930 3.977 1.00 0.00 C ATOM 1129 O MET A 200 3.336 7.537 2.907 1.00 0.00 O ATOM 1130 CB MET A 200 2.231 4.743 3.567 1.00 0.00 C ATOM 1131 CG MET A 200 1.509 3.592 4.272 1.00 0.00 C ATOM 1132 SD MET A 200 1.937 1.953 3.637 1.00 0.00 S ATOM 1133 CE MET A 200 1.148 0.912 4.884 1.00 0.00 C ATOM 0 H MET A 200 0.331 6.438 3.724 1.00 0.00 H new ATOM 0 HA MET A 200 2.427 5.664 5.450 1.00 0.00 H new ATOM 0 HB2 MET A 200 1.728 4.963 2.625 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.248 4.436 3.321 1.00 0.00 H new ATOM 0 HG2 MET A 200 1.741 3.629 5.336 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.433 3.738 4.175 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.224 -0.134 4.586 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.645 1.053 5.844 1.00 0.00 H new ATOM 0 HE3 MET A 200 0.097 1.187 4.976 1.00 0.00 H new ATOM 1143 N LYS A 201 4.448 7.067 4.807 1.00 0.00 N ATOM 1144 CA LYS A 201 5.561 7.954 4.544 1.00 0.00 C ATOM 1145 C LYS A 201 6.383 7.479 3.352 1.00 0.00 C ATOM 1146 O LYS A 201 7.422 6.846 3.517 1.00 0.00 O ATOM 1147 CB LYS A 201 6.419 8.112 5.801 1.00 0.00 C ATOM 1148 CG LYS A 201 5.643 8.683 6.992 1.00 0.00 C ATOM 1149 CD LYS A 201 4.945 10.020 6.711 1.00 0.00 C ATOM 1150 CE LYS A 201 4.339 10.574 8.004 1.00 0.00 C ATOM 1151 NZ LYS A 201 3.615 11.833 7.760 1.00 0.00 N ATOM 0 H LYS A 201 4.529 6.557 5.686 1.00 0.00 H new ATOM 0 HA LYS A 201 5.166 8.935 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.832 7.141 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.262 8.765 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 201 4.895 7.955 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.330 8.814 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 201 5.659 10.733 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.164 9.882 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 201 3.659 9.838 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 201 5.129 10.743 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 3.216 12.183 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 4.271 12.541 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 2.846 11.665 7.080 1.00 0.00 H new ATOM 1165 N ARG A 202 5.912 7.815 2.150 1.00 0.00 N ATOM 1166 CA ARG A 202 6.536 7.521 0.869 1.00 0.00 C ATOM 1167 C ARG A 202 8.054 7.720 0.924 1.00 0.00 C ATOM 1168 O ARG A 202 8.814 6.890 0.432 1.00 0.00 O ATOM 1169 CB ARG A 202 5.888 8.417 -0.201 1.00 0.00 C ATOM 1170 CG ARG A 202 6.198 7.920 -1.615 1.00 0.00 C ATOM 1171 CD ARG A 202 5.468 8.746 -2.684 1.00 0.00 C ATOM 1172 NE ARG A 202 5.451 8.039 -3.974 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.503 7.871 -4.787 1.00 0.00 C ATOM 1174 NH1 ARG A 202 7.646 8.534 -4.577 1.00 0.00 N ATOM 1175 NH2 ARG A 202 6.410 6.995 -5.792 1.00 0.00 N ATOM 0 H ARG A 202 5.037 8.328 2.044 1.00 0.00 H new ATOM 0 HA ARG A 202 6.375 6.473 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 202 4.809 8.441 -0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.248 9.439 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 202 7.273 7.969 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 202 5.908 6.873 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 202 4.446 8.945 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 202 5.959 9.712 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 202 4.561 7.642 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 202 7.725 9.178 -3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 202 8.438 8.396 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 202 5.548 6.467 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 202 7.201 6.854 -6.421 1.00 0.00 H new ATOM 1189 N GLU A 203 8.499 8.810 1.555 1.00 0.00 N ATOM 1190 CA GLU A 203 9.910 9.141 1.642 1.00 0.00 C ATOM 1191 C GLU A 203 10.723 8.047 2.342 1.00 0.00 C ATOM 1192 O GLU A 203 11.874 7.813 1.986 1.00 0.00 O ATOM 1193 CB GLU A 203 10.076 10.505 2.324 1.00 0.00 C ATOM 1194 CG GLU A 203 9.238 11.619 1.672 1.00 0.00 C ATOM 1195 CD GLU A 203 9.448 11.716 0.161 1.00 0.00 C ATOM 1196 OE1 GLU A 203 10.411 12.402 -0.239 1.00 0.00 O ATOM 1197 OE2 GLU A 203 8.632 11.103 -0.564 1.00 0.00 O ATOM 0 H GLU A 203 7.886 9.482 2.017 1.00 0.00 H new ATOM 0 HA GLU A 203 10.310 9.204 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 203 9.794 10.415 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.128 10.790 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 203 8.182 11.439 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.493 12.574 2.131 1.00 0.00 H new ATOM 1204 N ALA A 204 10.138 7.337 3.310 1.00 0.00 N ATOM 1205 CA ALA A 204 10.834 6.269 4.014 1.00 0.00 C ATOM 1206 C ALA A 204 11.333 5.180 3.060 1.00 0.00 C ATOM 1207 O ALA A 204 12.329 4.526 3.349 1.00 0.00 O ATOM 1208 CB ALA A 204 9.943 5.681 5.107 1.00 0.00 C ATOM 0 H ALA A 204 9.179 7.488 3.622 1.00 0.00 H new ATOM 0 HA ALA A 204 11.716 6.704 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.478 4.884 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 204 9.679 6.462 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.035 5.277 4.658 1.00 0.00 H new ATOM 1214 N VAL A 205 10.694 4.993 1.901 1.00 0.00 N ATOM 1215 CA VAL A 205 11.150 4.019 0.911 1.00 0.00 C ATOM 1216 C VAL A 205 12.572 4.345 0.438 1.00 0.00 C ATOM 1217 O VAL A 205 13.350 3.454 0.079 1.00 0.00 O ATOM 1218 CB VAL A 205 10.146 3.989 -0.246 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.701 3.244 -1.466 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.826 3.398 0.270 1.00 0.00 C ATOM 0 H VAL A 205 9.856 5.507 1.627 1.00 0.00 H new ATOM 0 HA VAL A 205 11.196 3.026 1.357 1.00 0.00 H new ATOM 0 HB VAL A 205 9.958 5.003 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.957 3.246 -2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.607 3.740 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.933 2.216 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.099 3.369 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.999 2.387 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.442 4.018 1.080 1.00 0.00 H new ATOM 1230 N GLN A 206 12.945 5.625 0.497 1.00 0.00 N ATOM 1231 CA GLN A 206 14.275 6.081 0.138 1.00 0.00 C ATOM 1232 C GLN A 206 15.333 5.503 1.090 1.00 0.00 C ATOM 1233 O GLN A 206 16.524 5.633 0.819 1.00 0.00 O ATOM 1234 CB GLN A 206 14.293 7.611 0.045 1.00 0.00 C ATOM 1235 CG GLN A 206 13.191 8.104 -0.912 1.00 0.00 C ATOM 1236 CD GLN A 206 13.152 9.626 -0.995 1.00 0.00 C ATOM 1237 OE1 GLN A 206 12.981 10.305 0.011 1.00 0.00 O ATOM 1238 NE2 GLN A 206 13.296 10.180 -2.194 1.00 0.00 N ATOM 0 H GLN A 206 12.322 6.374 0.799 1.00 0.00 H new ATOM 0 HA GLN A 206 14.540 5.704 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.144 8.044 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.268 7.949 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 206 13.361 7.690 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 206 12.223 7.734 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 206 13.437 9.591 -3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 206 13.266 11.195 -2.294 1.00 0.00 H new ATOM 1247 N GLU A 207 14.920 4.798 2.161 1.00 0.00 N ATOM 1248 CA GLU A 207 15.828 4.072 3.036 1.00 0.00 C ATOM 1249 C GLU A 207 16.681 3.135 2.176 1.00 0.00 C ATOM 1250 O GLU A 207 17.875 2.977 2.422 1.00 0.00 O ATOM 1251 CB GLU A 207 15.024 3.293 4.097 1.00 0.00 C ATOM 1252 CG GLU A 207 14.187 2.141 3.503 1.00 0.00 C ATOM 1253 CD GLU A 207 13.126 1.591 4.451 1.00 0.00 C ATOM 1254 OE1 GLU A 207 13.222 1.866 5.665 1.00 0.00 O ATOM 1255 OE2 GLU A 207 12.229 0.887 3.932 1.00 0.00 O ATOM 0 H GLU A 207 13.940 4.723 2.435 1.00 0.00 H new ATOM 0 HA GLU A 207 16.485 4.762 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 207 15.712 2.888 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.361 3.983 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 207 13.700 2.491 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 207 14.856 1.331 3.214 1.00 0.00 H new