USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=28 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 189 TYR OH : rot -42:sc= 1.25 USER MOD Set 1.2: A 193 GLN : amide:sc= 0.885 K(o=2.1,f=0.74) USER MOD Set 2.1: A 162 THR OG1 : rot 85:sc= 1.74 USER MOD Set 2.2: A 169 TYR OH : rot 171:sc= 1.61 USER MOD Set 2.3: A 188 GLN : amide:sc= 0.684 K(o=4,f=3.2) USER MOD Set 3.1: A 171 CYS SG : rot 143:sc= 0.604 USER MOD Set 3.2: A 177 CYS SG : rot 147:sc= 0.366 USER MOD Set 3.3: A 187 CYS SG : rot 170:sc= 0.362 USER MOD Set 3.4: A 190 CYS SG : rot -95:sc= -0.711 USER MOD Set 4.1: A 133 HIS : no HD1:sc= 0.429 K(o=1.6,f=-5.7!) USER MOD Set 4.2: A 142 SER OG : rot 97:sc= 1.15 USER MOD Set 5.1: A 135 CYS SG : rot -157:sc= 1.05 USER MOD Set 5.2: A 138 CYS SG : rot -101:sc= 0.492 USER MOD Set 5.3: A 151 SER OG : rot 39:sc= 0.566 USER MOD Set 5.4: A 152 CYS SG : rot -59:sc= 0.465 USER MOD Set 5.5: A 155 CYS SG : rot -110:sc= 0.509 USER MOD Single : A 143 SER OG : rot -109:sc= 0.692 USER MOD Single : A 145 LYS NZ :NH3+ -113:sc= 0.792 (180deg=-0.0862) USER MOD Single : A 146 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-5.5!) USER MOD Single : A 147 TYR OH : rot 1:sc= 1.29 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 LYS NZ :NH3+ 165:sc= -0.0045 (180deg=-0.161) USER MOD Single : A 160 LYS NZ :NH3+ 175:sc= -0.234 (180deg=-0.284) USER MOD Single : A 165 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0774) USER MOD Single : A 168 THR OG1 : rot 54:sc= 0.434 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 174 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 LYS NZ :NH3+ -167:sc= 0.739 (180deg=0.555) USER MOD Single : A 192 TYR OH : rot 168:sc= 2.21 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 MET CE :methyl -168:sc= -0.397 (180deg=-0.745) USER MOD Single : A 200 MET CE :methyl 165:sc= -0.0561 (180deg=-0.418) USER MOD Single : A 201 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.176) USER MOD Single : A 206 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -3.714 -1.581 15.211 1.00 0.00 N ATOM 58 CA HIS A 133 -2.838 -2.604 14.649 1.00 0.00 C ATOM 59 C HIS A 133 -3.519 -3.485 13.593 1.00 0.00 C ATOM 60 O HIS A 133 -3.534 -4.711 13.691 1.00 0.00 O ATOM 61 CB HIS A 133 -2.158 -3.377 15.786 1.00 0.00 C ATOM 62 CG HIS A 133 -0.885 -4.090 15.400 1.00 0.00 C ATOM 63 ND1 HIS A 133 -0.604 -4.660 14.180 1.00 0.00 N ATOM 64 CD2 HIS A 133 0.298 -3.989 16.084 1.00 0.00 C ATOM 65 CE1 HIS A 133 0.718 -4.896 14.143 1.00 0.00 C ATOM 66 NE2 HIS A 133 1.313 -4.504 15.279 1.00 0.00 N ATOM 0 HA HIS A 133 -2.053 -2.111 14.076 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.936 -2.682 16.596 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -2.862 -4.110 16.179 1.00 0.00 H new ATOM 0 HD2 HIS A 133 0.423 -3.581 17.076 1.00 0.00 H new ATOM 0 HE1 HIS A 133 1.235 -5.343 13.307 1.00 0.00 H new ATOM 0 HE2 HIS A 133 2.305 -4.569 15.507 1.00 0.00 H new ATOM 74 N ILE A 134 -3.993 -2.840 12.529 1.00 0.00 N ATOM 75 CA ILE A 134 -4.539 -3.429 11.320 1.00 0.00 C ATOM 76 C ILE A 134 -3.889 -2.661 10.172 1.00 0.00 C ATOM 77 O ILE A 134 -3.455 -1.523 10.357 1.00 0.00 O ATOM 78 CB ILE A 134 -6.076 -3.342 11.252 1.00 0.00 C ATOM 79 CG1 ILE A 134 -6.620 -2.075 11.935 1.00 0.00 C ATOM 80 CG2 ILE A 134 -6.690 -4.618 11.838 1.00 0.00 C ATOM 81 CD1 ILE A 134 -8.083 -1.794 11.586 1.00 0.00 C ATOM 0 H ILE A 134 -4.004 -1.821 12.492 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.323 -4.497 11.279 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.369 -3.263 10.205 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -6.523 -2.180 13.016 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -6.011 -1.220 11.642 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -7.777 -4.554 11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.351 -5.481 11.265 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.379 -4.727 12.877 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -8.411 -0.889 12.097 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.181 -1.659 10.509 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -8.701 -2.634 11.904 1.00 0.00 H new ATOM 93 N CYS A 135 -3.783 -3.288 9.005 1.00 0.00 N ATOM 94 CA CYS A 135 -3.166 -2.673 7.850 1.00 0.00 C ATOM 95 C CYS A 135 -4.086 -1.605 7.279 1.00 0.00 C ATOM 96 O CYS A 135 -5.219 -1.915 6.930 1.00 0.00 O ATOM 97 CB CYS A 135 -2.873 -3.731 6.786 1.00 0.00 C ATOM 98 SG CYS A 135 -1.950 -3.051 5.387 1.00 0.00 S ATOM 0 H CYS A 135 -4.124 -4.235 8.840 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.228 -2.209 8.155 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.304 -4.546 7.233 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.811 -4.155 6.429 1.00 0.00 H new ATOM 0 HG CYS A 135 -2.146 -3.791 4.337 1.00 0.00 H new ATOM 103 N ALA A 136 -3.617 -0.363 7.153 1.00 0.00 N ATOM 104 CA ALA A 136 -4.415 0.719 6.588 1.00 0.00 C ATOM 105 C ALA A 136 -5.054 0.315 5.257 1.00 0.00 C ATOM 106 O ALA A 136 -6.236 0.545 5.014 1.00 0.00 O ATOM 107 CB ALA A 136 -3.521 1.943 6.373 1.00 0.00 C ATOM 0 H ALA A 136 -2.679 -0.083 7.439 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.218 0.951 7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.112 2.756 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.100 2.259 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.713 1.688 5.687 1.00 0.00 H new ATOM 113 N ILE A 137 -4.231 -0.258 4.381 1.00 0.00 N ATOM 114 CA ILE A 137 -4.587 -0.609 3.017 1.00 0.00 C ATOM 115 C ILE A 137 -5.663 -1.701 2.921 1.00 0.00 C ATOM 116 O ILE A 137 -6.635 -1.519 2.192 1.00 0.00 O ATOM 117 CB ILE A 137 -3.308 -0.987 2.249 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.294 0.175 2.247 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.624 -1.358 0.792 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.861 -0.359 2.240 1.00 0.00 C ATOM 0 H ILE A 137 -3.267 -0.497 4.614 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.046 0.265 2.556 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.877 -1.848 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.457 0.805 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.450 0.802 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.701 -1.620 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.305 -2.209 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.090 -0.508 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.161 0.477 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.696 -0.969 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.703 -0.966 1.348 1.00 0.00 H new ATOM 132 N CYS A 138 -5.459 -2.849 3.583 1.00 0.00 N ATOM 133 CA CYS A 138 -6.338 -4.017 3.446 1.00 0.00 C ATOM 134 C CYS A 138 -7.077 -4.450 4.717 1.00 0.00 C ATOM 135 O CYS A 138 -7.924 -5.334 4.655 1.00 0.00 O ATOM 136 CB CYS A 138 -5.541 -5.179 2.841 1.00 0.00 C ATOM 137 SG CYS A 138 -4.031 -5.685 3.710 1.00 0.00 S ATOM 0 H CYS A 138 -4.681 -2.993 4.227 1.00 0.00 H new ATOM 0 HA CYS A 138 -7.142 -3.708 2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.201 -6.044 2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.270 -4.908 1.821 1.00 0.00 H new ATOM 0 HG CYS A 138 -2.993 -5.197 3.097 1.00 0.00 H new ATOM 142 N GLY A 139 -6.790 -3.856 5.874 1.00 0.00 N ATOM 143 CA GLY A 139 -7.470 -4.180 7.121 1.00 0.00 C ATOM 144 C GLY A 139 -7.079 -5.537 7.711 1.00 0.00 C ATOM 145 O GLY A 139 -7.694 -5.977 8.682 1.00 0.00 O ATOM 0 H GLY A 139 -6.076 -3.134 5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.254 -3.402 7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.546 -4.167 6.950 1.00 0.00 H new ATOM 149 N ASP A 140 -6.051 -6.203 7.176 1.00 0.00 N ATOM 150 CA ASP A 140 -5.570 -7.458 7.737 1.00 0.00 C ATOM 151 C ASP A 140 -4.758 -7.126 8.985 1.00 0.00 C ATOM 152 O ASP A 140 -4.267 -6.005 9.106 1.00 0.00 O ATOM 153 CB ASP A 140 -4.694 -8.188 6.712 1.00 0.00 C ATOM 154 CG ASP A 140 -5.531 -8.859 5.630 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.951 -10.009 5.875 1.00 0.00 O ATOM 156 OD2 ASP A 140 -5.750 -8.205 4.589 1.00 0.00 O ATOM 0 H ASP A 140 -5.538 -5.888 6.352 1.00 0.00 H new ATOM 0 HA ASP A 140 -6.406 -8.110 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.005 -7.479 6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -4.088 -8.938 7.220 1.00 0.00 H new ATOM 161 N ARG A 141 -4.582 -8.080 9.904 1.00 0.00 N ATOM 162 CA ARG A 141 -3.758 -7.837 11.082 1.00 0.00 C ATOM 163 C ARG A 141 -2.346 -7.535 10.576 1.00 0.00 C ATOM 164 O ARG A 141 -1.744 -8.352 9.881 1.00 0.00 O ATOM 165 CB ARG A 141 -3.814 -9.031 12.045 1.00 0.00 C ATOM 166 CG ARG A 141 -3.432 -8.656 13.486 1.00 0.00 C ATOM 167 CD ARG A 141 -1.950 -8.315 13.666 1.00 0.00 C ATOM 168 NE ARG A 141 -1.586 -8.234 15.086 1.00 0.00 N ATOM 169 CZ ARG A 141 -0.340 -8.017 15.533 1.00 0.00 C ATOM 170 NH1 ARG A 141 0.678 -7.888 14.676 1.00 0.00 N ATOM 171 NH2 ARG A 141 -0.119 -7.922 16.848 1.00 0.00 N ATOM 0 H ARG A 141 -4.993 -9.012 9.854 1.00 0.00 H new ATOM 0 HA ARG A 141 -4.122 -6.989 11.662 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -4.820 -9.450 12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.142 -9.811 11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.032 -7.802 13.800 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -3.687 -9.485 14.146 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.339 -9.072 13.175 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.732 -7.365 13.179 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.328 -8.350 15.777 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.511 -7.954 13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.622 -7.723 15.026 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.895 -8.014 17.504 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.826 -7.757 17.196 1.00 0.00 H new ATOM 185 N SER A 142 -1.846 -6.337 10.866 1.00 0.00 N ATOM 186 CA SER A 142 -0.563 -5.868 10.385 1.00 0.00 C ATOM 187 C SER A 142 0.605 -6.643 11.003 1.00 0.00 C ATOM 188 O SER A 142 0.459 -7.324 12.016 1.00 0.00 O ATOM 189 CB SER A 142 -0.488 -4.356 10.632 1.00 0.00 C ATOM 190 OG SER A 142 -1.384 -3.973 11.657 1.00 0.00 O ATOM 0 H SER A 142 -2.334 -5.659 11.452 1.00 0.00 H new ATOM 0 HA SER A 142 -0.474 -6.054 9.315 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.529 -4.077 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 142 -0.727 -3.820 9.714 1.00 0.00 H new ATOM 0 HG SER A 142 -0.901 -3.913 12.508 1.00 0.00 H new ATOM 196 N SER A 143 1.786 -6.490 10.408 1.00 0.00 N ATOM 197 CA SER A 143 3.031 -7.058 10.892 1.00 0.00 C ATOM 198 C SER A 143 3.574 -6.117 11.968 1.00 0.00 C ATOM 199 O SER A 143 3.999 -6.570 13.027 1.00 0.00 O ATOM 200 CB SER A 143 4.027 -7.210 9.735 1.00 0.00 C ATOM 201 OG SER A 143 3.483 -8.000 8.694 1.00 0.00 O ATOM 0 H SER A 143 1.901 -5.950 9.550 1.00 0.00 H new ATOM 0 HA SER A 143 2.871 -8.051 11.312 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.292 -6.226 9.348 1.00 0.00 H new ATOM 0 HB3 SER A 143 4.946 -7.668 10.100 1.00 0.00 H new ATOM 0 HG SER A 143 3.939 -8.867 8.669 1.00 0.00 H new ATOM 207 N GLY A 144 3.540 -4.806 11.705 1.00 0.00 N ATOM 208 CA GLY A 144 4.000 -3.807 12.655 1.00 0.00 C ATOM 209 C GLY A 144 3.835 -2.407 12.078 1.00 0.00 C ATOM 210 O GLY A 144 3.260 -2.236 11.001 1.00 0.00 O ATOM 0 H GLY A 144 3.193 -4.416 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.436 -3.893 13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.047 -3.985 12.900 1.00 0.00 H new ATOM 214 N LYS A 145 4.360 -1.406 12.791 1.00 0.00 N ATOM 215 CA LYS A 145 4.348 -0.023 12.345 1.00 0.00 C ATOM 216 C LYS A 145 5.430 0.110 11.274 1.00 0.00 C ATOM 217 O LYS A 145 6.606 -0.125 11.549 1.00 0.00 O ATOM 218 CB LYS A 145 4.547 0.922 13.537 1.00 0.00 C ATOM 219 CG LYS A 145 4.176 2.363 13.161 1.00 0.00 C ATOM 220 CD LYS A 145 4.264 3.266 14.398 1.00 0.00 C ATOM 221 CE LYS A 145 3.930 4.727 14.070 1.00 0.00 C ATOM 222 NZ LYS A 145 2.550 4.888 13.577 1.00 0.00 N ATOM 0 H LYS A 145 4.806 -1.541 13.698 1.00 0.00 H new ATOM 0 HA LYS A 145 3.389 0.259 11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 145 3.934 0.591 14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.585 0.884 13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.847 2.729 12.384 1.00 0.00 H new ATOM 0 HG3 LYS A 145 3.167 2.392 12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 145 3.579 2.901 15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 145 5.269 3.209 14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 145 4.069 5.338 14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 145 4.627 5.097 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 2.570 5.179 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 2.042 3.984 13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 2.063 5.615 14.140 1.00 0.00 H new ATOM 236 N HIS A 146 5.035 0.426 10.041 1.00 0.00 N ATOM 237 CA HIS A 146 5.921 0.531 8.895 1.00 0.00 C ATOM 238 C HIS A 146 5.579 1.816 8.147 1.00 0.00 C ATOM 239 O HIS A 146 4.408 2.123 7.936 1.00 0.00 O ATOM 240 CB HIS A 146 5.735 -0.692 7.987 1.00 0.00 C ATOM 241 CG HIS A 146 5.927 -2.025 8.673 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.683 -2.263 9.801 1.00 0.00 N ATOM 243 CD2 HIS A 146 5.357 -3.216 8.306 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.576 -3.569 10.096 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.783 -4.192 9.210 1.00 0.00 N ATOM 0 H HIS A 146 4.060 0.621 9.811 1.00 0.00 H new ATOM 0 HA HIS A 146 6.963 0.560 9.214 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.733 -0.660 7.559 1.00 0.00 H new ATOM 0 HB3 HIS A 146 6.438 -0.621 7.157 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.226 -1.572 10.318 1.00 0.00 H new ATOM 0 HD2 HIS A 146 4.696 -3.372 7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 146 7.061 -4.052 10.931 1.00 0.00 H new ATOM 253 N TYR A 147 6.597 2.586 7.760 1.00 0.00 N ATOM 254 CA TYR A 147 6.408 3.837 7.033 1.00 0.00 C ATOM 255 C TYR A 147 5.400 4.753 7.738 1.00 0.00 C ATOM 256 O TYR A 147 4.609 5.437 7.094 1.00 0.00 O ATOM 257 CB TYR A 147 6.043 3.528 5.569 1.00 0.00 C ATOM 258 CG TYR A 147 6.983 2.565 4.854 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.362 2.557 5.145 1.00 0.00 C ATOM 260 CD2 TYR A 147 6.486 1.692 3.867 1.00 0.00 C ATOM 261 CE1 TYR A 147 9.245 1.767 4.398 1.00 0.00 C ATOM 262 CE2 TYR A 147 7.368 0.858 3.153 1.00 0.00 C ATOM 263 CZ TYR A 147 8.751 0.929 3.390 1.00 0.00 C ATOM 264 OH TYR A 147 9.605 0.143 2.680 1.00 0.00 O ATOM 0 H TYR A 147 7.574 2.358 7.943 1.00 0.00 H new ATOM 0 HA TYR A 147 7.342 4.399 7.024 1.00 0.00 H new ATOM 0 HB2 TYR A 147 5.035 3.113 5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.017 4.465 5.013 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.742 3.166 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 147 5.427 1.662 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 147 10.306 1.804 4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 147 6.981 0.163 2.422 1.00 0.00 H new ATOM 0 HH TYR A 147 10.518 0.270 3.012 1.00 0.00 H new ATOM 274 N GLY A 148 5.461 4.772 9.074 1.00 0.00 N ATOM 275 CA GLY A 148 4.635 5.612 9.926 1.00 0.00 C ATOM 276 C GLY A 148 3.196 5.130 10.129 1.00 0.00 C ATOM 277 O GLY A 148 2.445 5.825 10.809 1.00 0.00 O ATOM 0 H GLY A 148 6.107 4.184 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.114 5.692 10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.607 6.615 9.501 1.00 0.00 H new ATOM 281 N VAL A 149 2.790 3.978 9.581 1.00 0.00 N ATOM 282 CA VAL A 149 1.418 3.484 9.703 1.00 0.00 C ATOM 283 C VAL A 149 1.460 1.977 9.989 1.00 0.00 C ATOM 284 O VAL A 149 2.424 1.314 9.616 1.00 0.00 O ATOM 285 CB VAL A 149 0.659 3.824 8.406 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.810 3.409 8.480 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.714 5.323 8.070 1.00 0.00 C ATOM 0 H VAL A 149 3.403 3.366 9.043 1.00 0.00 H new ATOM 0 HA VAL A 149 0.889 3.958 10.530 1.00 0.00 H new ATOM 0 HB VAL A 149 1.164 3.260 7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.308 3.667 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.876 2.333 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.294 3.931 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.164 5.509 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.265 5.895 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.752 5.629 7.942 1.00 0.00 H new ATOM 297 N TYR A 150 0.456 1.398 10.654 1.00 0.00 N ATOM 298 CA TYR A 150 0.486 -0.036 10.920 1.00 0.00 C ATOM 299 C TYR A 150 0.215 -0.768 9.597 1.00 0.00 C ATOM 300 O TYR A 150 -0.744 -0.453 8.898 1.00 0.00 O ATOM 301 CB TYR A 150 -0.438 -0.401 12.093 1.00 0.00 C ATOM 302 CG TYR A 150 0.065 0.059 13.464 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.206 1.432 13.754 1.00 0.00 C ATOM 304 CD2 TYR A 150 0.414 -0.883 14.456 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.693 1.857 15.002 1.00 0.00 C ATOM 306 CE2 TYR A 150 0.929 -0.458 15.693 1.00 0.00 C ATOM 307 CZ TYR A 150 1.048 0.911 15.974 1.00 0.00 C ATOM 308 OH TYR A 150 1.521 1.313 17.186 1.00 0.00 O ATOM 0 H TYR A 150 -0.366 1.888 11.008 1.00 0.00 H new ATOM 0 HA TYR A 150 1.466 -0.366 11.264 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.420 0.036 11.915 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.570 -1.483 12.112 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -0.063 2.165 13.008 1.00 0.00 H new ATOM 0 HD2 TYR A 150 0.284 -1.938 14.263 1.00 0.00 H new ATOM 0 HE1 TYR A 150 0.794 2.912 15.212 1.00 0.00 H new ATOM 0 HE2 TYR A 150 1.234 -1.187 16.429 1.00 0.00 H new ATOM 0 HH TYR A 150 1.717 0.527 17.738 1.00 0.00 H new ATOM 318 N SER A 151 1.086 -1.706 9.198 1.00 0.00 N ATOM 319 CA SER A 151 0.953 -2.396 7.917 1.00 0.00 C ATOM 320 C SER A 151 1.486 -3.824 7.990 1.00 0.00 C ATOM 321 O SER A 151 2.149 -4.198 8.958 1.00 0.00 O ATOM 322 CB SER A 151 1.641 -1.593 6.811 1.00 0.00 C ATOM 323 OG SER A 151 1.286 -2.108 5.540 1.00 0.00 O ATOM 0 H SER A 151 1.891 -2.002 9.750 1.00 0.00 H new ATOM 0 HA SER A 151 -0.108 -2.469 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.353 -0.544 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 151 2.723 -1.635 6.940 1.00 0.00 H new ATOM 0 HG SER A 151 0.341 -2.369 5.545 1.00 0.00 H new ATOM 329 N CYS A 152 1.181 -4.611 6.954 1.00 0.00 N ATOM 330 CA CYS A 152 1.598 -5.999 6.810 1.00 0.00 C ATOM 331 C CYS A 152 2.739 -6.093 5.800 1.00 0.00 C ATOM 332 O CYS A 152 2.754 -5.360 4.813 1.00 0.00 O ATOM 333 CB CYS A 152 0.414 -6.910 6.449 1.00 0.00 C ATOM 334 SG CYS A 152 -0.537 -6.498 4.966 1.00 0.00 S ATOM 0 H CYS A 152 0.618 -4.283 6.169 1.00 0.00 H new ATOM 0 HA CYS A 152 1.970 -6.358 7.769 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.794 -7.925 6.333 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.272 -6.921 7.296 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.021 -5.297 5.081 1.00 0.00 H new ATOM 339 N GLU A 153 3.697 -6.987 6.064 1.00 0.00 N ATOM 340 CA GLU A 153 4.886 -7.223 5.253 1.00 0.00 C ATOM 341 C GLU A 153 4.608 -7.177 3.744 1.00 0.00 C ATOM 342 O GLU A 153 5.331 -6.516 3.001 1.00 0.00 O ATOM 343 CB GLU A 153 5.594 -8.516 5.702 1.00 0.00 C ATOM 344 CG GLU A 153 4.892 -9.845 5.368 1.00 0.00 C ATOM 345 CD GLU A 153 3.491 -9.965 5.961 1.00 0.00 C ATOM 346 OE1 GLU A 153 3.398 -10.389 7.132 1.00 0.00 O ATOM 347 OE2 GLU A 153 2.539 -9.611 5.229 1.00 0.00 O ATOM 0 H GLU A 153 3.659 -7.590 6.886 1.00 0.00 H new ATOM 0 HA GLU A 153 5.573 -6.395 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 153 6.586 -8.534 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 153 5.735 -8.468 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 153 4.829 -9.950 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 153 5.503 -10.670 5.733 1.00 0.00 H new ATOM 354 N GLY A 154 3.556 -7.862 3.287 1.00 0.00 N ATOM 355 CA GLY A 154 3.176 -7.884 1.883 1.00 0.00 C ATOM 356 C GLY A 154 2.920 -6.471 1.359 1.00 0.00 C ATOM 357 O GLY A 154 3.481 -6.066 0.341 1.00 0.00 O ATOM 0 H GLY A 154 2.946 -8.417 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.965 -8.355 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 154 2.279 -8.490 1.755 1.00 0.00 H new ATOM 361 N CYS A 155 2.092 -5.702 2.072 1.00 0.00 N ATOM 362 CA CYS A 155 1.781 -4.327 1.718 1.00 0.00 C ATOM 363 C CYS A 155 3.030 -3.453 1.808 1.00 0.00 C ATOM 364 O CYS A 155 3.246 -2.611 0.940 1.00 0.00 O ATOM 365 CB CYS A 155 0.643 -3.797 2.587 1.00 0.00 C ATOM 366 SG CYS A 155 -0.995 -4.315 2.009 1.00 0.00 S ATOM 0 H CYS A 155 1.619 -6.025 2.916 1.00 0.00 H new ATOM 0 HA CYS A 155 1.441 -4.296 0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.786 -4.141 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.687 -2.708 2.608 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.631 -3.287 1.530 1.00 0.00 H new ATOM 371 N LYS A 156 3.857 -3.659 2.834 1.00 0.00 N ATOM 372 CA LYS A 156 5.104 -2.929 3.011 1.00 0.00 C ATOM 373 C LYS A 156 5.976 -3.119 1.762 1.00 0.00 C ATOM 374 O LYS A 156 6.353 -2.143 1.116 1.00 0.00 O ATOM 375 CB LYS A 156 5.772 -3.407 4.311 1.00 0.00 C ATOM 376 CG LYS A 156 6.936 -2.546 4.820 1.00 0.00 C ATOM 377 CD LYS A 156 8.227 -2.733 4.009 1.00 0.00 C ATOM 378 CE LYS A 156 9.454 -2.229 4.784 1.00 0.00 C ATOM 379 NZ LYS A 156 9.795 -3.106 5.919 1.00 0.00 N ATOM 0 H LYS A 156 3.675 -4.343 3.568 1.00 0.00 H new ATOM 0 HA LYS A 156 4.937 -1.857 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.012 -3.455 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.136 -4.423 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 156 6.644 -1.496 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 156 7.132 -2.791 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 156 8.356 -3.788 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 156 8.146 -2.196 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 156 10.307 -2.164 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.261 -1.221 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.754 -2.884 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 9.115 -2.955 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 9.757 -4.099 5.614 1.00 0.00 H new ATOM 393 N GLY A 157 6.271 -4.371 1.402 1.00 0.00 N ATOM 394 CA GLY A 157 7.067 -4.712 0.229 1.00 0.00 C ATOM 395 C GLY A 157 6.449 -4.139 -1.047 1.00 0.00 C ATOM 396 O GLY A 157 7.127 -3.471 -1.828 1.00 0.00 O ATOM 0 H GLY A 157 5.957 -5.186 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.080 -4.327 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.146 -5.796 0.143 1.00 0.00 H new ATOM 400 N PHE A 158 5.151 -4.394 -1.245 1.00 0.00 N ATOM 401 CA PHE A 158 4.380 -3.888 -2.376 1.00 0.00 C ATOM 402 C PHE A 158 4.593 -2.381 -2.524 1.00 0.00 C ATOM 403 O PHE A 158 4.940 -1.902 -3.606 1.00 0.00 O ATOM 404 CB PHE A 158 2.892 -4.207 -2.153 1.00 0.00 C ATOM 405 CG PHE A 158 1.918 -3.245 -2.807 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.772 -3.245 -4.204 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.287 -2.245 -2.037 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.000 -2.253 -4.829 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.528 -1.245 -2.666 1.00 0.00 C ATOM 410 CZ PHE A 158 0.381 -1.255 -4.061 1.00 0.00 C ATOM 0 H PHE A 158 4.600 -4.970 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 158 4.715 -4.369 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.692 -5.211 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.697 -4.222 -1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.254 -4.008 -4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.388 -2.249 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.882 -2.258 -5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.059 -0.470 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.210 -0.492 -4.545 1.00 0.00 H new ATOM 420 N PHE A 159 4.372 -1.649 -1.430 1.00 0.00 N ATOM 421 CA PHE A 159 4.516 -0.208 -1.392 1.00 0.00 C ATOM 422 C PHE A 159 5.951 0.161 -1.740 1.00 0.00 C ATOM 423 O PHE A 159 6.159 1.000 -2.603 1.00 0.00 O ATOM 424 CB PHE A 159 4.105 0.344 -0.024 1.00 0.00 C ATOM 425 CG PHE A 159 4.134 1.859 0.054 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.103 2.615 -0.535 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.195 2.518 0.700 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.093 4.015 -0.405 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.151 3.910 0.887 1.00 0.00 C ATOM 430 CZ PHE A 159 4.105 4.662 0.325 1.00 0.00 C ATOM 0 H PHE A 159 4.085 -2.054 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 159 3.852 0.244 -2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.099 -0.004 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.770 -0.063 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.319 2.119 -1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.045 1.953 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.307 4.594 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.921 4.402 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.079 5.734 0.454 1.00 0.00 H new ATOM 440 N LYS A 160 6.936 -0.474 -1.098 1.00 0.00 N ATOM 441 CA LYS A 160 8.346 -0.221 -1.357 1.00 0.00 C ATOM 442 C LYS A 160 8.641 -0.297 -2.860 1.00 0.00 C ATOM 443 O LYS A 160 9.065 0.684 -3.471 1.00 0.00 O ATOM 444 CB LYS A 160 9.190 -1.213 -0.538 1.00 0.00 C ATOM 445 CG LYS A 160 10.614 -0.702 -0.305 1.00 0.00 C ATOM 446 CD LYS A 160 11.443 -1.675 0.543 1.00 0.00 C ATOM 447 CE LYS A 160 11.779 -2.992 -0.171 1.00 0.00 C ATOM 448 NZ LYS A 160 12.481 -2.767 -1.446 1.00 0.00 N ATOM 0 H LYS A 160 6.771 -1.181 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 160 8.611 0.789 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.708 -1.392 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.229 -2.170 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.106 -0.549 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.574 0.268 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.371 -1.185 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.897 -1.899 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 160 12.399 -3.609 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 160 10.860 -3.548 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.763 -3.681 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 11.849 -2.274 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 13.328 -2.187 -1.278 1.00 0.00 H new ATOM 462 N ARG A 161 8.386 -1.458 -3.467 1.00 0.00 N ATOM 463 CA ARG A 161 8.611 -1.676 -4.887 1.00 0.00 C ATOM 464 C ARG A 161 7.862 -0.632 -5.718 1.00 0.00 C ATOM 465 O ARG A 161 8.458 0.051 -6.555 1.00 0.00 O ATOM 466 CB ARG A 161 8.166 -3.097 -5.252 1.00 0.00 C ATOM 467 CG ARG A 161 9.039 -4.195 -4.623 1.00 0.00 C ATOM 468 CD ARG A 161 10.432 -4.306 -5.258 1.00 0.00 C ATOM 469 NE ARG A 161 10.347 -4.668 -6.680 1.00 0.00 N ATOM 470 CZ ARG A 161 11.402 -4.874 -7.481 1.00 0.00 C ATOM 471 NH1 ARG A 161 12.645 -4.684 -7.025 1.00 0.00 N ATOM 472 NH2 ARG A 161 11.203 -5.281 -8.739 1.00 0.00 N ATOM 0 H ARG A 161 8.016 -2.274 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 161 9.673 -1.568 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 161 7.133 -3.239 -4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 161 8.183 -3.207 -6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.149 -3.995 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.528 -5.153 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 161 10.958 -3.357 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 161 11.018 -5.055 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 161 9.417 -4.770 -7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 161 12.794 -4.381 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 161 13.443 -4.843 -7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 161 10.254 -5.432 -9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 161 12.000 -5.440 -9.356 1.00 0.00 H new ATOM 486 N THR A 162 6.556 -0.508 -5.473 1.00 0.00 N ATOM 487 CA THR A 162 5.696 0.432 -6.170 1.00 0.00 C ATOM 488 C THR A 162 6.254 1.850 -6.111 1.00 0.00 C ATOM 489 O THR A 162 6.247 2.536 -7.122 1.00 0.00 O ATOM 490 CB THR A 162 4.277 0.371 -5.593 1.00 0.00 C ATOM 491 OG1 THR A 162 3.715 -0.898 -5.873 1.00 0.00 O ATOM 492 CG2 THR A 162 3.387 1.467 -6.176 1.00 0.00 C ATOM 0 H THR A 162 6.066 -1.068 -4.775 1.00 0.00 H new ATOM 0 HA THR A 162 5.658 0.147 -7.221 1.00 0.00 H new ATOM 0 HB THR A 162 4.338 0.528 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.991 -1.537 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.389 1.393 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.812 2.443 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.324 1.348 -7.258 1.00 0.00 H new ATOM 500 N VAL A 163 6.710 2.310 -4.949 1.00 0.00 N ATOM 501 CA VAL A 163 7.229 3.655 -4.761 1.00 0.00 C ATOM 502 C VAL A 163 8.499 3.854 -5.576 1.00 0.00 C ATOM 503 O VAL A 163 8.603 4.826 -6.325 1.00 0.00 O ATOM 504 CB VAL A 163 7.453 3.903 -3.262 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.443 5.038 -2.953 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.099 4.221 -2.619 1.00 0.00 C ATOM 0 H VAL A 163 6.728 1.746 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 163 6.507 4.388 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 163 7.898 2.997 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.545 5.148 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.415 4.801 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.072 5.970 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.236 4.401 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.675 5.110 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.422 3.379 -2.761 1.00 0.00 H new ATOM 516 N ARG A 164 9.463 2.942 -5.412 1.00 0.00 N ATOM 517 CA ARG A 164 10.739 3.031 -6.113 1.00 0.00 C ATOM 518 C ARG A 164 10.544 3.071 -7.627 1.00 0.00 C ATOM 519 O ARG A 164 11.156 3.881 -8.319 1.00 0.00 O ATOM 520 CB ARG A 164 11.660 1.869 -5.717 1.00 0.00 C ATOM 521 CG ARG A 164 12.037 1.967 -4.237 1.00 0.00 C ATOM 522 CD ARG A 164 13.099 0.938 -3.845 1.00 0.00 C ATOM 523 NE ARG A 164 13.441 1.083 -2.423 1.00 0.00 N ATOM 524 CZ ARG A 164 14.254 0.276 -1.733 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.934 -0.697 -2.349 1.00 0.00 N ATOM 526 NH2 ARG A 164 14.377 0.455 -0.416 1.00 0.00 N ATOM 0 H ARG A 164 9.379 2.133 -4.797 1.00 0.00 H new ATOM 0 HA ARG A 164 11.214 3.966 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 164 11.161 0.919 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.561 1.886 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.408 2.969 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.147 1.819 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 164 12.729 -0.069 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.991 1.073 -4.457 1.00 0.00 H new ATOM 0 HE ARG A 164 13.023 1.865 -1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.835 -0.830 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 164 15.551 -1.306 -1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 164 13.855 1.198 0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.993 -0.151 0.126 1.00 0.00 H new ATOM 540 N LYS A 165 9.707 2.171 -8.138 1.00 0.00 N ATOM 541 CA LYS A 165 9.444 2.050 -9.566 1.00 0.00 C ATOM 542 C LYS A 165 8.471 3.125 -10.078 1.00 0.00 C ATOM 543 O LYS A 165 8.570 3.564 -11.220 1.00 0.00 O ATOM 544 CB LYS A 165 8.862 0.661 -9.810 1.00 0.00 C ATOM 545 CG LYS A 165 9.831 -0.494 -9.531 1.00 0.00 C ATOM 546 CD LYS A 165 10.526 -0.905 -10.834 1.00 0.00 C ATOM 547 CE LYS A 165 11.434 -2.124 -10.637 1.00 0.00 C ATOM 548 NZ LYS A 165 12.511 -1.861 -9.666 1.00 0.00 N ATOM 0 H LYS A 165 9.190 1.502 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 165 10.377 2.194 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 165 7.979 0.536 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.530 0.597 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.572 -0.190 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 165 9.291 -1.343 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.775 -1.130 -11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.116 -0.069 -11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 165 10.837 -2.969 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 165 11.871 -2.409 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 13.169 -2.666 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 13.024 -1.000 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 12.101 -1.731 -8.719 1.00 0.00 H new ATOM 562 N ASP A 166 7.506 3.506 -9.240 1.00 0.00 N ATOM 563 CA ASP A 166 6.421 4.447 -9.494 1.00 0.00 C ATOM 564 C ASP A 166 5.544 4.022 -10.672 1.00 0.00 C ATOM 565 O ASP A 166 5.344 4.774 -11.622 1.00 0.00 O ATOM 566 CB ASP A 166 6.925 5.892 -9.583 1.00 0.00 C ATOM 567 CG ASP A 166 5.770 6.892 -9.522 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.877 6.690 -8.665 1.00 0.00 O ATOM 569 OD2 ASP A 166 5.806 7.856 -10.318 1.00 0.00 O ATOM 0 H ASP A 166 7.462 3.133 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 166 5.760 4.421 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.620 6.087 -8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 166 7.478 6.029 -10.512 1.00 0.00 H new ATOM 574 N LEU A 167 4.994 2.806 -10.595 1.00 0.00 N ATOM 575 CA LEU A 167 4.112 2.273 -11.619 1.00 0.00 C ATOM 576 C LEU A 167 2.856 3.130 -11.756 1.00 0.00 C ATOM 577 O LEU A 167 2.118 3.329 -10.789 1.00 0.00 O ATOM 578 CB LEU A 167 3.673 0.856 -11.239 1.00 0.00 C ATOM 579 CG LEU A 167 4.662 -0.265 -11.574 1.00 0.00 C ATOM 580 CD1 LEU A 167 4.640 -0.607 -13.068 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.084 0.036 -11.117 1.00 0.00 C ATOM 0 H LEU A 167 5.153 2.168 -9.815 1.00 0.00 H new ATOM 0 HA LEU A 167 4.660 2.270 -12.561 1.00 0.00 H new ATOM 0 HB2 LEU A 167 3.477 0.833 -10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 167 2.729 0.643 -11.740 1.00 0.00 H new ATOM 0 HG LEU A 167 4.325 -1.136 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.354 -1.406 -13.269 1.00 0.00 H new ATOM 0 HD12 LEU A 167 3.640 -0.934 -13.352 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.911 0.276 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.736 -0.796 -11.384 1.00 0.00 H new ATOM 0 HD22 LEU A 167 6.438 0.945 -11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.097 0.175 -10.036 1.00 0.00 H new ATOM 593 N THR A 168 2.573 3.580 -12.976 1.00 0.00 N ATOM 594 CA THR A 168 1.373 4.328 -13.289 1.00 0.00 C ATOM 595 C THR A 168 0.220 3.329 -13.392 1.00 0.00 C ATOM 596 O THR A 168 -0.233 3.016 -14.494 1.00 0.00 O ATOM 597 CB THR A 168 1.608 5.074 -14.607 1.00 0.00 C ATOM 598 OG1 THR A 168 2.059 4.149 -15.574 1.00 0.00 O ATOM 599 CG2 THR A 168 2.666 6.167 -14.427 1.00 0.00 C ATOM 0 H THR A 168 3.182 3.430 -13.780 1.00 0.00 H new ATOM 0 HA THR A 168 1.128 5.064 -12.523 1.00 0.00 H new ATOM 0 HB THR A 168 0.676 5.540 -14.926 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.428 3.401 -15.630 1.00 0.00 H new ATOM 0 HG21 THR A 168 2.819 6.685 -15.374 1.00 0.00 H new ATOM 0 HG22 THR A 168 2.329 6.879 -13.674 1.00 0.00 H new ATOM 0 HG23 THR A 168 3.604 5.716 -14.105 1.00 0.00 H new ATOM 607 N TYR A 169 -0.226 2.803 -12.251 1.00 0.00 N ATOM 608 CA TYR A 169 -1.308 1.830 -12.211 1.00 0.00 C ATOM 609 C TYR A 169 -2.645 2.552 -12.430 1.00 0.00 C ATOM 610 O TYR A 169 -2.720 3.780 -12.367 1.00 0.00 O ATOM 611 CB TYR A 169 -1.347 1.143 -10.840 1.00 0.00 C ATOM 612 CG TYR A 169 -0.078 0.507 -10.302 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.473 -0.622 -10.940 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.338 0.832 -8.997 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.446 -1.401 -10.284 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.263 0.017 -8.326 1.00 0.00 C ATOM 617 CZ TYR A 169 1.857 -1.070 -8.981 1.00 0.00 C ATOM 618 OH TYR A 169 2.672 -1.914 -8.284 1.00 0.00 O ATOM 0 H TYR A 169 0.153 3.041 -11.334 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.143 1.086 -12.990 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.680 1.881 -10.111 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -2.112 0.368 -10.881 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.148 -0.891 -11.934 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.056 1.712 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 169 1.878 -2.256 -10.784 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.519 0.229 -7.298 1.00 0.00 H new ATOM 0 HH TYR A 169 2.981 -1.470 -7.467 1.00 0.00 H new ATOM 628 N THR A 170 -3.722 1.798 -12.662 1.00 0.00 N ATOM 629 CA THR A 170 -5.068 2.330 -12.839 1.00 0.00 C ATOM 630 C THR A 170 -6.064 1.232 -12.443 1.00 0.00 C ATOM 631 O THR A 170 -5.694 0.059 -12.400 1.00 0.00 O ATOM 632 CB THR A 170 -5.256 2.798 -14.297 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.208 3.668 -14.678 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.571 3.549 -14.526 1.00 0.00 C ATOM 0 H THR A 170 -3.678 0.781 -12.733 1.00 0.00 H new ATOM 0 HA THR A 170 -5.238 3.200 -12.205 1.00 0.00 H new ATOM 0 HB THR A 170 -5.261 1.887 -14.895 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.341 3.954 -15.606 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.641 3.850 -15.571 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.410 2.898 -14.279 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.600 4.434 -13.891 1.00 0.00 H new ATOM 642 N CYS A 171 -7.314 1.608 -12.165 1.00 0.00 N ATOM 643 CA CYS A 171 -8.433 0.736 -11.835 1.00 0.00 C ATOM 644 C CYS A 171 -9.680 1.485 -12.304 1.00 0.00 C ATOM 645 O CYS A 171 -9.627 2.704 -12.454 1.00 0.00 O ATOM 646 CB CYS A 171 -8.486 0.474 -10.323 1.00 0.00 C ATOM 647 SG CYS A 171 -9.857 -0.556 -9.714 1.00 0.00 S ATOM 0 H CYS A 171 -7.584 2.592 -12.166 1.00 0.00 H new ATOM 0 HA CYS A 171 -8.346 -0.239 -12.314 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.549 0.001 -10.027 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.532 1.436 -9.813 1.00 0.00 H new ATOM 0 HG CYS A 171 -9.434 -1.313 -8.745 1.00 0.00 H new ATOM 652 N ARG A 172 -10.784 0.772 -12.544 1.00 0.00 N ATOM 653 CA ARG A 172 -12.033 1.400 -12.955 1.00 0.00 C ATOM 654 C ARG A 172 -12.538 2.297 -11.823 1.00 0.00 C ATOM 655 O ARG A 172 -12.900 3.451 -12.037 1.00 0.00 O ATOM 656 CB ARG A 172 -13.079 0.331 -13.286 1.00 0.00 C ATOM 657 CG ARG A 172 -12.689 -0.515 -14.505 1.00 0.00 C ATOM 658 CD ARG A 172 -13.712 -1.628 -14.772 1.00 0.00 C ATOM 659 NE ARG A 172 -15.043 -1.089 -15.095 1.00 0.00 N ATOM 660 CZ ARG A 172 -16.068 -0.930 -14.243 1.00 0.00 C ATOM 661 NH1 ARG A 172 -15.942 -1.222 -12.942 1.00 0.00 N ATOM 662 NH2 ARG A 172 -17.232 -0.463 -14.705 1.00 0.00 N ATOM 0 H ARG A 172 -10.833 -0.243 -12.459 1.00 0.00 H new ATOM 0 HA ARG A 172 -11.860 2.001 -13.848 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -13.213 -0.321 -12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -14.039 0.812 -13.474 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -12.611 0.126 -15.383 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -11.705 -0.956 -14.343 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -13.363 -2.250 -15.596 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -13.785 -2.271 -13.895 1.00 0.00 H new ATOM 0 HE ARG A 172 -15.202 -0.808 -16.063 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -15.054 -1.572 -12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -16.734 -1.094 -12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -17.333 -0.233 -15.693 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -18.020 -0.337 -14.069 1.00 0.00 H new ATOM 676 N ASP A 173 -12.563 1.739 -10.612 1.00 0.00 N ATOM 677 CA ASP A 173 -13.000 2.432 -9.412 1.00 0.00 C ATOM 678 C ASP A 173 -11.876 3.328 -8.899 1.00 0.00 C ATOM 679 O ASP A 173 -10.706 3.126 -9.226 1.00 0.00 O ATOM 680 CB ASP A 173 -13.380 1.414 -8.331 1.00 0.00 C ATOM 681 CG ASP A 173 -14.423 0.412 -8.815 1.00 0.00 C ATOM 682 OD1 ASP A 173 -14.002 -0.573 -9.463 1.00 0.00 O ATOM 683 OD2 ASP A 173 -15.618 0.650 -8.537 1.00 0.00 O ATOM 0 H ASP A 173 -12.274 0.776 -10.441 1.00 0.00 H new ATOM 0 HA ASP A 173 -13.871 3.043 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.487 0.878 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.765 1.942 -7.458 1.00 0.00 H new ATOM 688 N ASN A 174 -12.229 4.290 -8.044 1.00 0.00 N ATOM 689 CA ASN A 174 -11.259 5.175 -7.419 1.00 0.00 C ATOM 690 C ASN A 174 -10.591 4.416 -6.272 1.00 0.00 C ATOM 691 O ASN A 174 -10.906 3.255 -6.022 1.00 0.00 O ATOM 692 CB ASN A 174 -11.954 6.447 -6.914 1.00 0.00 C ATOM 693 CG ASN A 174 -12.617 7.223 -8.049 1.00 0.00 C ATOM 694 OD1 ASN A 174 -13.835 7.201 -8.186 1.00 0.00 O ATOM 695 ND2 ASN A 174 -11.830 7.908 -8.872 1.00 0.00 N ATOM 0 H ASN A 174 -13.194 4.473 -7.770 1.00 0.00 H new ATOM 0 HA ASN A 174 -10.501 5.482 -8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -12.705 6.180 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -11.225 7.085 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -12.236 8.436 -9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -10.820 7.906 -8.731 1.00 0.00 H new ATOM 702 N LYS A 175 -9.667 5.070 -5.565 1.00 0.00 N ATOM 703 CA LYS A 175 -8.912 4.476 -4.466 1.00 0.00 C ATOM 704 C LYS A 175 -9.778 3.715 -3.455 1.00 0.00 C ATOM 705 O LYS A 175 -9.352 2.699 -2.910 1.00 0.00 O ATOM 706 CB LYS A 175 -8.055 5.557 -3.795 1.00 0.00 C ATOM 707 CG LYS A 175 -8.869 6.544 -2.947 1.00 0.00 C ATOM 708 CD LYS A 175 -7.974 7.672 -2.423 1.00 0.00 C ATOM 709 CE LYS A 175 -8.686 8.486 -1.334 1.00 0.00 C ATOM 710 NZ LYS A 175 -9.983 9.018 -1.791 1.00 0.00 N ATOM 0 H LYS A 175 -9.420 6.043 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 175 -8.262 3.712 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -7.308 5.077 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -7.514 6.110 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -9.679 6.963 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -9.329 6.019 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -7.052 7.251 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -7.693 8.329 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -8.842 7.857 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -8.046 9.312 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -10.322 9.733 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -9.869 9.454 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -10.674 8.243 -1.852 1.00 0.00 H new ATOM 724 N ASP A 176 -11.000 4.199 -3.211 1.00 0.00 N ATOM 725 CA ASP A 176 -11.952 3.613 -2.275 1.00 0.00 C ATOM 726 C ASP A 176 -12.626 2.401 -2.925 1.00 0.00 C ATOM 727 O ASP A 176 -13.842 2.364 -3.097 1.00 0.00 O ATOM 728 CB ASP A 176 -12.972 4.679 -1.851 1.00 0.00 C ATOM 729 CG ASP A 176 -12.294 5.890 -1.219 1.00 0.00 C ATOM 730 OD1 ASP A 176 -12.082 5.851 0.012 1.00 0.00 O ATOM 731 OD2 ASP A 176 -11.973 6.825 -1.986 1.00 0.00 O ATOM 0 H ASP A 176 -11.360 5.033 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 176 -11.439 3.267 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -13.548 4.997 -2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -13.677 4.246 -1.142 1.00 0.00 H new ATOM 736 N CYS A 177 -11.807 1.418 -3.297 1.00 0.00 N ATOM 737 CA CYS A 177 -12.203 0.183 -3.955 1.00 0.00 C ATOM 738 C CYS A 177 -12.334 -0.930 -2.909 1.00 0.00 C ATOM 739 O CYS A 177 -11.939 -0.760 -1.755 1.00 0.00 O ATOM 740 CB CYS A 177 -11.149 -0.104 -5.029 1.00 0.00 C ATOM 741 SG CYS A 177 -11.510 -1.316 -6.322 1.00 0.00 S ATOM 0 H CYS A 177 -10.801 1.468 -3.138 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.177 0.254 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -10.917 0.841 -5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -10.242 -0.429 -4.519 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.928 -0.958 -7.428 1.00 0.00 H new ATOM 746 N LEU A 178 -12.899 -2.076 -3.297 1.00 0.00 N ATOM 747 CA LEU A 178 -13.136 -3.205 -2.403 1.00 0.00 C ATOM 748 C LEU A 178 -11.843 -3.968 -2.079 1.00 0.00 C ATOM 749 O LEU A 178 -11.717 -5.156 -2.387 1.00 0.00 O ATOM 750 CB LEU A 178 -14.206 -4.123 -3.020 1.00 0.00 C ATOM 751 CG LEU A 178 -15.547 -3.428 -3.311 1.00 0.00 C ATOM 752 CD1 LEU A 178 -16.499 -4.443 -3.954 1.00 0.00 C ATOM 753 CD2 LEU A 178 -16.196 -2.865 -2.040 1.00 0.00 C ATOM 0 H LEU A 178 -13.208 -2.245 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 178 -13.503 -2.825 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.818 -4.540 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -14.383 -4.960 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 178 -15.354 -2.591 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -17.454 -3.963 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -16.064 -4.811 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -16.656 -5.278 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -17.140 -2.384 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -16.381 -3.676 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -15.528 -2.134 -1.584 1.00 0.00 H new ATOM 765 N ILE A 179 -10.887 -3.296 -1.431 1.00 0.00 N ATOM 766 CA ILE A 179 -9.610 -3.871 -1.015 1.00 0.00 C ATOM 767 C ILE A 179 -9.838 -4.698 0.252 1.00 0.00 C ATOM 768 O ILE A 179 -9.364 -4.362 1.335 1.00 0.00 O ATOM 769 CB ILE A 179 -8.546 -2.765 -0.836 1.00 0.00 C ATOM 770 CG1 ILE A 179 -8.492 -1.792 -2.028 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.148 -3.366 -0.615 1.00 0.00 C ATOM 772 CD1 ILE A 179 -8.227 -2.485 -3.366 1.00 0.00 C ATOM 0 H ILE A 179 -10.985 -2.313 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.219 -4.536 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 179 -8.849 -2.203 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -9.436 -1.250 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -7.711 -1.053 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.422 -2.562 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.156 -3.987 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -6.873 -3.975 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -8.202 -1.741 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.269 -3.004 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -9.021 -3.204 -3.567 1.00 0.00 H new ATOM 784 N ASP A 180 -10.594 -5.788 0.111 1.00 0.00 N ATOM 785 CA ASP A 180 -10.898 -6.677 1.223 1.00 0.00 C ATOM 786 C ASP A 180 -9.689 -7.563 1.520 1.00 0.00 C ATOM 787 O ASP A 180 -8.667 -7.499 0.836 1.00 0.00 O ATOM 788 CB ASP A 180 -12.115 -7.550 0.888 1.00 0.00 C ATOM 789 CG ASP A 180 -13.307 -6.732 0.408 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.839 -5.955 1.228 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.655 -6.903 -0.779 1.00 0.00 O ATOM 0 H ASP A 180 -11.009 -6.075 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 180 -11.129 -6.076 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -11.840 -8.271 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.402 -8.121 1.771 1.00 0.00 H new ATOM 921 N CYS A 187 -5.310 -5.406 -7.188 1.00 0.00 N ATOM 922 CA CYS A 187 -5.751 -4.027 -7.347 1.00 0.00 C ATOM 923 C CYS A 187 -4.668 -3.026 -6.903 1.00 0.00 C ATOM 924 O CYS A 187 -4.870 -2.200 -6.011 1.00 0.00 O ATOM 925 CB CYS A 187 -7.075 -3.883 -6.597 1.00 0.00 C ATOM 926 SG CYS A 187 -8.047 -2.454 -7.098 1.00 0.00 S ATOM 0 HA CYS A 187 -5.916 -3.787 -8.397 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.668 -4.785 -6.750 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.870 -3.814 -5.529 1.00 0.00 H new ATOM 0 HG CYS A 187 -9.230 -2.525 -6.564 1.00 0.00 H new ATOM 931 N GLN A 188 -3.502 -3.119 -7.550 1.00 0.00 N ATOM 932 CA GLN A 188 -2.304 -2.336 -7.283 1.00 0.00 C ATOM 933 C GLN A 188 -2.585 -0.836 -7.111 1.00 0.00 C ATOM 934 O GLN A 188 -2.149 -0.236 -6.131 1.00 0.00 O ATOM 935 CB GLN A 188 -1.288 -2.535 -8.415 1.00 0.00 C ATOM 936 CG GLN A 188 -0.824 -3.974 -8.692 1.00 0.00 C ATOM 937 CD GLN A 188 -0.002 -4.584 -7.563 1.00 0.00 C ATOM 938 OE1 GLN A 188 -0.507 -5.368 -6.765 1.00 0.00 O ATOM 939 NE2 GLN A 188 1.279 -4.236 -7.474 1.00 0.00 N ATOM 0 H GLN A 188 -3.367 -3.780 -8.315 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.902 -2.698 -6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.721 -2.136 -9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.408 -1.933 -8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -1.699 -4.600 -8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -0.232 -3.985 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 188 1.678 -3.583 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 188 1.862 -4.623 -6.732 1.00 0.00 H new ATOM 948 N TYR A 189 -3.284 -0.223 -8.074 1.00 0.00 N ATOM 949 CA TYR A 189 -3.575 1.207 -8.054 1.00 0.00 C ATOM 950 C TYR A 189 -4.205 1.630 -6.740 1.00 0.00 C ATOM 951 O TYR A 189 -3.643 2.427 -5.994 1.00 0.00 O ATOM 952 CB TYR A 189 -4.507 1.581 -9.214 1.00 0.00 C ATOM 953 CG TYR A 189 -4.996 3.020 -9.182 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.086 4.087 -9.299 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.348 3.294 -8.905 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.540 5.415 -9.215 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.801 4.619 -8.811 1.00 0.00 C ATOM 958 CZ TYR A 189 -5.902 5.682 -8.985 1.00 0.00 C ATOM 959 OH TYR A 189 -6.316 6.948 -8.697 1.00 0.00 O ATOM 0 H TYR A 189 -3.662 -0.709 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.627 1.734 -8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -3.985 1.407 -10.155 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.370 0.915 -9.201 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.036 3.885 -9.454 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.042 2.479 -8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -3.842 6.231 -9.327 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -7.842 4.820 -8.605 1.00 0.00 H new ATOM 0 HH TYR A 189 -5.689 7.362 -8.068 1.00 0.00 H new ATOM 969 N CYS A 190 -5.395 1.101 -6.468 1.00 0.00 N ATOM 970 CA CYS A 190 -6.133 1.437 -5.273 1.00 0.00 C ATOM 971 C CYS A 190 -5.282 1.160 -4.040 1.00 0.00 C ATOM 972 O CYS A 190 -5.254 1.993 -3.145 1.00 0.00 O ATOM 973 CB CYS A 190 -7.443 0.664 -5.283 1.00 0.00 C ATOM 974 SG CYS A 190 -8.549 1.131 -6.642 1.00 0.00 S ATOM 0 H CYS A 190 -5.867 0.430 -7.074 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.373 2.500 -5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.226 -0.402 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -7.957 0.824 -4.335 1.00 0.00 H new ATOM 0 HG CYS A 190 -9.403 2.017 -6.222 1.00 0.00 H new ATOM 979 N ARG A 191 -4.555 0.039 -3.992 1.00 0.00 N ATOM 980 CA ARG A 191 -3.675 -0.227 -2.859 1.00 0.00 C ATOM 981 C ARG A 191 -2.651 0.907 -2.670 1.00 0.00 C ATOM 982 O ARG A 191 -2.474 1.412 -1.562 1.00 0.00 O ATOM 983 CB ARG A 191 -2.961 -1.568 -3.036 1.00 0.00 C ATOM 984 CG ARG A 191 -3.905 -2.765 -2.884 1.00 0.00 C ATOM 985 CD ARG A 191 -3.197 -4.041 -3.348 1.00 0.00 C ATOM 986 NE ARG A 191 -1.902 -4.210 -2.667 1.00 0.00 N ATOM 987 CZ ARG A 191 -1.613 -5.064 -1.674 1.00 0.00 C ATOM 988 NH1 ARG A 191 -2.527 -5.901 -1.172 1.00 0.00 N ATOM 989 NH2 ARG A 191 -0.367 -5.091 -1.200 1.00 0.00 N ATOM 0 H ARG A 191 -4.560 -0.684 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.292 -0.276 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.496 -1.600 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.159 -1.648 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.215 -2.867 -1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.809 -2.605 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -3.831 -4.905 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.041 -4.002 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.140 -3.611 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -3.477 -5.902 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -2.275 -6.538 -0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 191 0.341 -4.471 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -0.122 -5.732 -0.445 1.00 0.00 H new ATOM 1003 N TYR A 192 -1.972 1.313 -3.750 1.00 0.00 N ATOM 1004 CA TYR A 192 -0.975 2.381 -3.723 1.00 0.00 C ATOM 1005 C TYR A 192 -1.618 3.680 -3.230 1.00 0.00 C ATOM 1006 O TYR A 192 -1.135 4.314 -2.293 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.365 2.543 -5.127 1.00 0.00 C ATOM 1008 CG TYR A 192 0.719 3.596 -5.319 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.684 3.847 -4.321 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.880 4.177 -6.592 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.783 4.681 -4.596 1.00 0.00 C ATOM 1012 CE2 TYR A 192 2.001 4.976 -6.877 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.960 5.223 -5.881 1.00 0.00 C ATOM 1014 OH TYR A 192 4.083 5.942 -6.173 1.00 0.00 O ATOM 0 H TYR A 192 -2.103 0.903 -4.675 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.172 2.128 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 192 0.049 1.580 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.176 2.769 -5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.579 3.398 -3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 192 0.136 4.007 -7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.495 4.906 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 192 2.125 5.400 -7.862 1.00 0.00 H new ATOM 0 HH TYR A 192 4.142 6.078 -7.142 1.00 0.00 H new ATOM 1024 N GLN A 193 -2.728 4.068 -3.860 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.467 5.260 -3.492 1.00 0.00 C ATOM 1026 C GLN A 193 -3.891 5.220 -2.021 1.00 0.00 C ATOM 1027 O GLN A 193 -3.725 6.208 -1.314 1.00 0.00 O ATOM 1028 CB GLN A 193 -4.683 5.389 -4.409 1.00 0.00 C ATOM 1029 CG GLN A 193 -4.351 5.564 -5.896 1.00 0.00 C ATOM 1030 CD GLN A 193 -3.807 6.941 -6.258 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -4.519 7.764 -6.825 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -2.532 7.193 -5.980 1.00 0.00 N ATOM 0 H GLN A 193 -3.135 3.556 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 193 -2.824 6.132 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.305 4.501 -4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.279 6.241 -4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -3.619 4.810 -6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.251 5.376 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -1.964 6.489 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -2.121 8.090 -6.239 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.423 4.088 -1.554 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.841 3.898 -0.172 1.00 0.00 C ATOM 1043 C LYS A 194 -3.641 4.129 0.747 1.00 0.00 C ATOM 1044 O LYS A 194 -3.729 4.905 1.698 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.428 2.488 -0.003 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.807 2.346 -0.672 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.973 2.507 0.313 1.00 0.00 C ATOM 1048 CE LYS A 194 -8.180 1.225 1.131 1.00 0.00 C ATOM 1049 NZ LYS A 194 -9.231 1.395 2.148 1.00 0.00 N ATOM 0 H LYS A 194 -4.576 3.267 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.618 4.614 0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.742 1.757 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.516 2.258 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.900 3.092 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -6.874 1.368 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.775 3.343 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.885 2.746 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -8.448 0.406 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -7.244 0.947 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -9.344 0.510 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -8.963 2.160 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -10.129 1.635 1.682 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.516 3.469 0.450 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.286 3.607 1.214 1.00 0.00 C ATOM 1065 C ALA A 195 -0.899 5.082 1.348 1.00 0.00 C ATOM 1066 O ALA A 195 -0.699 5.583 2.455 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.170 2.807 0.532 1.00 0.00 C ATOM 0 H ALA A 195 -2.440 2.821 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.440 3.212 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.753 2.909 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.453 1.755 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.015 3.187 -0.478 1.00 0.00 H new ATOM 1073 N LEU A 196 -0.803 5.783 0.214 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.448 7.192 0.210 1.00 0.00 C ATOM 1075 C LEU A 196 -1.452 7.999 1.035 1.00 0.00 C ATOM 1076 O LEU A 196 -1.073 8.706 1.968 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.377 7.703 -1.237 1.00 0.00 C ATOM 1078 CG LEU A 196 0.774 7.106 -2.065 1.00 0.00 C ATOM 1079 CD1 LEU A 196 0.578 7.497 -3.534 1.00 0.00 C ATOM 1080 CD2 LEU A 196 2.147 7.601 -1.592 1.00 0.00 C ATOM 0 H LEU A 196 -0.968 5.389 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 196 0.533 7.318 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.321 7.480 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.273 8.788 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 196 0.753 6.023 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 196 1.388 7.080 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.375 7.106 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 196 0.582 8.583 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.927 7.152 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 196 2.193 8.686 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 196 2.297 7.317 -0.550 1.00 0.00 H new ATOM 1092 N ALA A 197 -2.734 7.881 0.692 1.00 0.00 N ATOM 1093 CA ALA A 197 -3.831 8.586 1.340 1.00 0.00 C ATOM 1094 C ALA A 197 -3.799 8.434 2.860 1.00 0.00 C ATOM 1095 O ALA A 197 -3.981 9.416 3.575 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.169 8.103 0.772 1.00 0.00 C ATOM 0 H ALA A 197 -3.043 7.274 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 197 -3.714 9.649 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -5.985 8.635 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.201 8.297 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.275 7.033 0.950 1.00 0.00 H new ATOM 1102 N MET A 198 -3.577 7.213 3.359 1.00 0.00 N ATOM 1103 CA MET A 198 -3.545 6.958 4.795 1.00 0.00 C ATOM 1104 C MET A 198 -2.205 7.318 5.449 1.00 0.00 C ATOM 1105 O MET A 198 -2.066 7.168 6.662 1.00 0.00 O ATOM 1106 CB MET A 198 -4.062 5.546 5.098 1.00 0.00 C ATOM 1107 CG MET A 198 -5.596 5.576 4.967 1.00 0.00 C ATOM 1108 SD MET A 198 -6.476 3.999 5.048 1.00 0.00 S ATOM 1109 CE MET A 198 -5.924 3.282 3.492 1.00 0.00 C ATOM 0 H MET A 198 -3.417 6.386 2.783 1.00 0.00 H new ATOM 0 HA MET A 198 -4.238 7.646 5.280 1.00 0.00 H new ATOM 0 HB2 MET A 198 -3.632 4.823 4.404 1.00 0.00 H new ATOM 0 HB3 MET A 198 -3.769 5.238 6.102 1.00 0.00 H new ATOM 0 HG2 MET A 198 -5.988 6.220 5.755 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.842 6.049 4.017 1.00 0.00 H new ATOM 0 HE1 MET A 198 -6.525 2.402 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 198 -6.036 4.015 2.693 1.00 0.00 H new ATOM 0 HE3 MET A 198 -4.876 2.994 3.576 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.251 7.867 4.689 1.00 0.00 N ATOM 1120 CA GLY A 199 -0.034 8.430 5.244 1.00 0.00 C ATOM 1121 C GLY A 199 1.196 7.535 5.223 1.00 0.00 C ATOM 1122 O GLY A 199 2.117 7.801 5.995 1.00 0.00 O ATOM 0 H GLY A 199 -1.309 7.929 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.199 9.344 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.230 8.717 6.277 1.00 0.00 H new ATOM 1126 N MET A 200 1.272 6.524 4.349 1.00 0.00 N ATOM 1127 CA MET A 200 2.506 5.758 4.245 1.00 0.00 C ATOM 1128 C MET A 200 3.617 6.721 3.807 1.00 0.00 C ATOM 1129 O MET A 200 3.560 7.287 2.714 1.00 0.00 O ATOM 1130 CB MET A 200 2.370 4.609 3.245 1.00 0.00 C ATOM 1131 CG MET A 200 1.845 3.332 3.897 1.00 0.00 C ATOM 1132 SD MET A 200 0.243 3.364 4.730 1.00 0.00 S ATOM 1133 CE MET A 200 0.333 1.711 5.451 1.00 0.00 C ATOM 0 H MET A 200 0.519 6.229 3.727 1.00 0.00 H new ATOM 0 HA MET A 200 2.742 5.310 5.210 1.00 0.00 H new ATOM 0 HB2 MET A 200 1.696 4.907 2.442 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.340 4.410 2.790 1.00 0.00 H new ATOM 0 HG2 MET A 200 1.798 2.564 3.125 1.00 0.00 H new ATOM 0 HG3 MET A 200 2.587 3.006 4.626 1.00 0.00 H new ATOM 0 HE1 MET A 200 -0.427 1.610 6.226 1.00 0.00 H new ATOM 0 HE2 MET A 200 0.161 0.966 4.675 1.00 0.00 H new ATOM 0 HE3 MET A 200 1.319 1.558 5.889 1.00 0.00 H new ATOM 1143 N LYS A 201 4.607 6.933 4.674 1.00 0.00 N ATOM 1144 CA LYS A 201 5.697 7.858 4.440 1.00 0.00 C ATOM 1145 C LYS A 201 6.593 7.379 3.302 1.00 0.00 C ATOM 1146 O LYS A 201 7.623 6.750 3.537 1.00 0.00 O ATOM 1147 CB LYS A 201 6.490 8.064 5.735 1.00 0.00 C ATOM 1148 CG LYS A 201 5.656 8.660 6.876 1.00 0.00 C ATOM 1149 CD LYS A 201 5.098 10.056 6.562 1.00 0.00 C ATOM 1150 CE LYS A 201 4.343 10.644 7.761 1.00 0.00 C ATOM 1151 NZ LYS A 201 5.229 10.893 8.912 1.00 0.00 N ATOM 0 H LYS A 201 4.668 6.454 5.573 1.00 0.00 H new ATOM 0 HA LYS A 201 5.283 8.819 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.899 7.107 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.336 8.721 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 201 4.827 7.988 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.271 8.717 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 201 5.915 10.721 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.429 9.997 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 201 3.865 11.578 7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 201 3.548 9.960 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 4.734 11.485 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 5.491 9.987 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 6.088 11.383 8.589 1.00 0.00 H new ATOM 1165 N ARG A 202 6.194 7.711 2.073 1.00 0.00 N ATOM 1166 CA ARG A 202 6.885 7.420 0.824 1.00 0.00 C ATOM 1167 C ARG A 202 8.401 7.578 0.980 1.00 0.00 C ATOM 1168 O ARG A 202 9.170 6.732 0.532 1.00 0.00 O ATOM 1169 CB ARG A 202 6.325 8.357 -0.263 1.00 0.00 C ATOM 1170 CG ARG A 202 6.651 7.864 -1.676 1.00 0.00 C ATOM 1171 CD ARG A 202 5.984 8.732 -2.755 1.00 0.00 C ATOM 1172 NE ARG A 202 5.881 8.011 -4.034 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.899 7.720 -4.857 1.00 0.00 C ATOM 1174 NH1 ARG A 202 8.107 8.265 -4.673 1.00 0.00 N ATOM 1175 NH2 ARG A 202 6.706 6.838 -5.840 1.00 0.00 N ATOM 0 H ARG A 202 5.325 8.222 1.918 1.00 0.00 H new ATOM 0 HA ARG A 202 6.712 6.383 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.244 8.438 -0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.736 9.357 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 202 7.731 7.870 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.320 6.831 -1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 202 4.990 9.030 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 202 6.560 9.647 -2.896 1.00 0.00 H new ATOM 0 HE ARG A 202 4.951 7.705 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 202 8.263 8.911 -3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 202 8.872 8.035 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 202 5.794 6.396 -5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 202 7.470 6.606 -6.474 1.00 0.00 H new ATOM 1189 N GLU A 203 8.829 8.646 1.656 1.00 0.00 N ATOM 1190 CA GLU A 203 10.223 8.958 1.914 1.00 0.00 C ATOM 1191 C GLU A 203 10.978 7.755 2.494 1.00 0.00 C ATOM 1192 O GLU A 203 12.078 7.424 2.053 1.00 0.00 O ATOM 1193 CB GLU A 203 10.290 10.140 2.893 1.00 0.00 C ATOM 1194 CG GLU A 203 9.468 11.367 2.462 1.00 0.00 C ATOM 1195 CD GLU A 203 8.095 11.413 3.136 1.00 0.00 C ATOM 1196 OE1 GLU A 203 7.218 10.639 2.696 1.00 0.00 O ATOM 1197 OE2 GLU A 203 7.956 12.197 4.098 1.00 0.00 O ATOM 0 H GLU A 203 8.188 9.336 2.049 1.00 0.00 H new ATOM 0 HA GLU A 203 10.702 9.217 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 203 9.939 9.808 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.331 10.439 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.020 12.275 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.339 11.353 1.380 1.00 0.00 H new ATOM 1204 N ALA A 204 10.377 7.090 3.483 1.00 0.00 N ATOM 1205 CA ALA A 204 10.978 5.963 4.180 1.00 0.00 C ATOM 1206 C ALA A 204 11.329 4.801 3.249 1.00 0.00 C ATOM 1207 O ALA A 204 12.215 4.010 3.567 1.00 0.00 O ATOM 1208 CB ALA A 204 10.061 5.523 5.318 1.00 0.00 C ATOM 0 H ALA A 204 9.445 7.327 3.823 1.00 0.00 H new ATOM 0 HA ALA A 204 11.930 6.295 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.510 4.679 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 204 9.923 6.350 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.094 5.226 4.912 1.00 0.00 H new ATOM 1214 N VAL A 205 10.695 4.692 2.079 1.00 0.00 N ATOM 1215 CA VAL A 205 11.048 3.647 1.127 1.00 0.00 C ATOM 1216 C VAL A 205 12.516 3.772 0.710 1.00 0.00 C ATOM 1217 O VAL A 205 13.165 2.770 0.406 1.00 0.00 O ATOM 1218 CB VAL A 205 10.095 3.699 -0.072 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.624 2.892 -1.259 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.710 3.219 0.374 1.00 0.00 C ATOM 0 H VAL A 205 9.943 5.310 1.774 1.00 0.00 H new ATOM 0 HA VAL A 205 10.937 2.670 1.598 1.00 0.00 H new ATOM 0 HB VAL A 205 10.020 4.728 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.917 2.956 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.587 3.294 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.745 1.849 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.024 3.252 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.781 2.196 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.339 3.867 1.168 1.00 0.00 H new ATOM 1230 N GLN A 206 13.066 4.989 0.740 1.00 0.00 N ATOM 1231 CA GLN A 206 14.459 5.232 0.409 1.00 0.00 C ATOM 1232 C GLN A 206 15.410 4.773 1.527 1.00 0.00 C ATOM 1233 O GLN A 206 16.609 5.018 1.420 1.00 0.00 O ATOM 1234 CB GLN A 206 14.640 6.719 0.077 1.00 0.00 C ATOM 1235 CG GLN A 206 13.817 7.144 -1.154 1.00 0.00 C ATOM 1236 CD GLN A 206 14.323 6.559 -2.473 1.00 0.00 C ATOM 1237 OE1 GLN A 206 13.529 6.134 -3.310 1.00 0.00 O ATOM 1238 NE2 GLN A 206 15.635 6.483 -2.676 1.00 0.00 N ATOM 0 H GLN A 206 12.550 5.831 0.996 1.00 0.00 H new ATOM 0 HA GLN A 206 14.723 4.636 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.343 7.320 0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.695 6.923 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.780 6.840 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 206 13.823 8.232 -1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 206 16.281 6.840 -1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 206 15.995 6.068 -3.535 1.00 0.00 H new ATOM 1247 N GLU A 207 14.915 4.107 2.583 1.00 0.00 N ATOM 1248 CA GLU A 207 15.705 3.583 3.698 1.00 0.00 C ATOM 1249 C GLU A 207 17.024 2.953 3.234 1.00 0.00 C ATOM 1250 O GLU A 207 18.086 3.244 3.776 1.00 0.00 O ATOM 1251 CB GLU A 207 14.854 2.581 4.503 1.00 0.00 C ATOM 1252 CG GLU A 207 14.280 1.421 3.662 1.00 0.00 C ATOM 1253 CD GLU A 207 13.077 0.751 4.320 1.00 0.00 C ATOM 1254 OE1 GLU A 207 13.069 0.666 5.565 1.00 0.00 O ATOM 1255 OE2 GLU A 207 12.181 0.323 3.554 1.00 0.00 O ATOM 0 H GLU A 207 13.918 3.914 2.683 1.00 0.00 H new ATOM 0 HA GLU A 207 15.980 4.418 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 207 15.464 2.166 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.030 3.117 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 207 13.988 1.799 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 207 15.060 0.677 3.498 1.00 0.00 H new