USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=26 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 171 CYS SG : rot -70:sc= 1.27 USER MOD Set 1.2: A 177 CYS SG : rot -147:sc= 0.271 USER MOD Set 1.3: A 187 CYS SG : rot 28:sc= -0.55 USER MOD Set 1.4: A 190 CYS SG : rot 100:sc= -0.227 USER MOD Set 2.1: A 174 ASN : amide:sc= 1.18 K(o=2.4,f=-1.7) USER MOD Set 2.2: A 189 TYR OH : rot -105:sc= 1.2 USER MOD Set 3.1: A 162 THR OG1 : rot 83:sc= 2.01 USER MOD Set 3.2: A 188 GLN : amide:sc= 0.792 K(o=2.8,f=1.4) USER MOD Set 4.1: A 135 CYS SG : rot 28:sc= 0.888 USER MOD Set 4.2: A 138 CYS SG : rot -29:sc= 0.322 USER MOD Set 4.3: A 151 SER OG : rot 32:sc= 1.44 USER MOD Set 4.4: A 152 CYS SG : rot -67:sc= 0.409 USER MOD Set 4.5: A 155 CYS SG : rot 156:sc= 0.323 USER MOD Set 4.6: A 200 MET CE :methyl 176:sc= -0.201 (180deg=-0.202) USER MOD Set 5.1: A 133 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-1.8) USER MOD Set 5.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 117:sc= 1.06 USER MOD Single : A 143 SER OG : rot -114:sc= 1.73 USER MOD Single : A 145 LYS NZ :NH3+ 159:sc= 1.04 (180deg=0.714) USER MOD Single : A 146 HIS : no HE2:sc= -0.59 K(o=-0.59,f=-6.8!) USER MOD Single : A 147 TYR OH : rot -168:sc= 1.01 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ -171:sc= -0.362 (180deg=-0.436) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 TYR OH : rot 120:sc= 1.13 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 175 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 192 TYR OH : rot 5:sc= 1.03 USER MOD Single : A 193 GLN : amide:sc= -0.0694 K(o=-0.069,f=-1.2) USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 MET CE :methyl -177:sc= -0.298 (180deg=-0.307) USER MOD Single : A 201 LYS NZ :NH3+ 149:sc= 0.927 (180deg=0.0715) USER MOD Single : A 206 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -4.128 -2.967 16.102 1.00 0.00 N ATOM 58 CA HIS A 133 -3.249 -2.595 15.000 1.00 0.00 C ATOM 59 C HIS A 133 -3.624 -3.373 13.739 1.00 0.00 C ATOM 60 O HIS A 133 -2.788 -4.074 13.168 1.00 0.00 O ATOM 61 CB HIS A 133 -1.777 -2.838 15.380 1.00 0.00 C ATOM 62 CG HIS A 133 -1.218 -1.943 16.458 1.00 0.00 C ATOM 63 ND1 HIS A 133 -1.810 -0.824 16.998 1.00 0.00 N ATOM 64 CD2 HIS A 133 0.037 -2.041 16.996 1.00 0.00 C ATOM 65 CE1 HIS A 133 -0.947 -0.290 17.877 1.00 0.00 C ATOM 66 NE2 HIS A 133 0.200 -0.989 17.905 1.00 0.00 N ATOM 0 HA HIS A 133 -3.373 -1.532 14.795 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.672 -3.873 15.704 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -1.167 -2.720 14.485 1.00 0.00 H new ATOM 0 HD2 HIS A 133 0.772 -2.797 16.761 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.148 0.583 18.480 1.00 0.00 H new ATOM 0 HE2 HIS A 133 1.024 -0.793 18.474 1.00 0.00 H new ATOM 74 N ILE A 134 -4.861 -3.227 13.263 1.00 0.00 N ATOM 75 CA ILE A 134 -5.228 -3.829 11.987 1.00 0.00 C ATOM 76 C ILE A 134 -4.453 -3.126 10.868 1.00 0.00 C ATOM 77 O ILE A 134 -4.005 -1.990 11.031 1.00 0.00 O ATOM 78 CB ILE A 134 -6.748 -3.804 11.733 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.513 -2.551 12.197 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.375 -5.053 12.351 1.00 0.00 C ATOM 81 CD1 ILE A 134 -7.025 -1.260 11.539 1.00 0.00 C ATOM 0 H ILE A 134 -5.607 -2.711 13.730 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.956 -4.884 12.011 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.846 -3.779 10.648 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.573 -2.681 11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -7.418 -2.457 13.279 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.451 -5.044 12.176 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.940 -5.942 11.894 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.182 -5.065 13.424 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -7.608 -0.418 11.912 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -5.972 -1.106 11.777 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -7.146 -1.334 10.458 1.00 0.00 H new ATOM 93 N CYS A 135 -4.262 -3.802 9.736 1.00 0.00 N ATOM 94 CA CYS A 135 -3.539 -3.222 8.621 1.00 0.00 C ATOM 95 C CYS A 135 -4.321 -2.027 8.098 1.00 0.00 C ATOM 96 O CYS A 135 -5.450 -2.191 7.648 1.00 0.00 O ATOM 97 CB CYS A 135 -3.332 -4.250 7.507 1.00 0.00 C ATOM 98 SG CYS A 135 -2.535 -3.545 6.043 1.00 0.00 S ATOM 0 H CYS A 135 -4.600 -4.751 9.573 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.554 -2.901 8.961 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.725 -5.072 7.886 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -4.297 -4.671 7.223 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.782 -2.546 6.397 1.00 0.00 H new ATOM 103 N ALA A 136 -3.722 -0.839 8.143 1.00 0.00 N ATOM 104 CA ALA A 136 -4.354 0.391 7.690 1.00 0.00 C ATOM 105 C ALA A 136 -5.070 0.237 6.347 1.00 0.00 C ATOM 106 O ALA A 136 -6.185 0.718 6.166 1.00 0.00 O ATOM 107 CB ALA A 136 -3.279 1.472 7.592 1.00 0.00 C ATOM 0 H ALA A 136 -2.775 -0.705 8.499 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.122 0.664 8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.731 2.405 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.825 1.623 8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.514 1.161 6.881 1.00 0.00 H new ATOM 113 N ILE A 137 -4.394 -0.394 5.388 1.00 0.00 N ATOM 114 CA ILE A 137 -4.871 -0.513 4.019 1.00 0.00 C ATOM 115 C ILE A 137 -5.971 -1.568 3.818 1.00 0.00 C ATOM 116 O ILE A 137 -6.895 -1.301 3.054 1.00 0.00 O ATOM 117 CB ILE A 137 -3.662 -0.714 3.083 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.727 0.508 3.142 1.00 0.00 C ATOM 119 CG2 ILE A 137 -4.112 -0.923 1.631 1.00 0.00 C ATOM 120 CD1 ILE A 137 -1.332 0.179 2.610 1.00 0.00 C ATOM 0 H ILE A 137 -3.490 -0.840 5.546 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.374 0.419 3.761 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.131 -1.603 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.156 1.323 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.651 0.858 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.237 -1.062 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.748 -1.806 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.671 -0.050 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.702 1.066 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.893 -0.618 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.406 -0.146 1.572 1.00 0.00 H new ATOM 132 N CYS A 138 -5.872 -2.763 4.424 1.00 0.00 N ATOM 133 CA CYS A 138 -6.823 -3.859 4.163 1.00 0.00 C ATOM 134 C CYS A 138 -7.456 -4.521 5.392 1.00 0.00 C ATOM 135 O CYS A 138 -8.219 -5.477 5.257 1.00 0.00 O ATOM 136 CB CYS A 138 -6.161 -4.889 3.237 1.00 0.00 C ATOM 137 SG CYS A 138 -4.624 -5.652 3.816 1.00 0.00 S ATOM 0 H CYS A 138 -5.143 -2.996 5.098 1.00 0.00 H new ATOM 0 HA CYS A 138 -7.681 -3.394 3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.882 -5.684 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.959 -4.404 2.282 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.997 -4.825 4.599 1.00 0.00 H new ATOM 142 N GLY A 139 -7.175 -4.019 6.590 1.00 0.00 N ATOM 143 CA GLY A 139 -7.760 -4.518 7.828 1.00 0.00 C ATOM 144 C GLY A 139 -7.235 -5.889 8.273 1.00 0.00 C ATOM 145 O GLY A 139 -7.700 -6.422 9.276 1.00 0.00 O ATOM 0 H GLY A 139 -6.526 -3.244 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.570 -3.795 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.841 -4.580 7.705 1.00 0.00 H new ATOM 149 N ASP A 140 -6.275 -6.469 7.546 1.00 0.00 N ATOM 150 CA ASP A 140 -5.682 -7.761 7.869 1.00 0.00 C ATOM 151 C ASP A 140 -4.780 -7.640 9.100 1.00 0.00 C ATOM 152 O ASP A 140 -4.553 -6.547 9.617 1.00 0.00 O ATOM 153 CB ASP A 140 -4.886 -8.274 6.658 1.00 0.00 C ATOM 154 CG ASP A 140 -5.799 -8.872 5.593 1.00 0.00 C ATOM 155 OD1 ASP A 140 -6.061 -10.089 5.697 1.00 0.00 O ATOM 156 OD2 ASP A 140 -6.226 -8.106 4.706 1.00 0.00 O ATOM 0 H ASP A 140 -5.885 -6.044 6.705 1.00 0.00 H new ATOM 0 HA ASP A 140 -6.473 -8.474 8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.312 -7.454 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -4.169 -9.026 6.986 1.00 0.00 H new ATOM 161 N ARG A 141 -4.239 -8.768 9.560 1.00 0.00 N ATOM 162 CA ARG A 141 -3.315 -8.804 10.683 1.00 0.00 C ATOM 163 C ARG A 141 -2.017 -8.098 10.287 1.00 0.00 C ATOM 164 O ARG A 141 -1.262 -8.622 9.468 1.00 0.00 O ATOM 165 CB ARG A 141 -3.055 -10.268 11.067 1.00 0.00 C ATOM 166 CG ARG A 141 -2.066 -10.416 12.238 1.00 0.00 C ATOM 167 CD ARG A 141 -0.924 -11.378 11.890 1.00 0.00 C ATOM 168 NE ARG A 141 -0.105 -10.870 10.779 1.00 0.00 N ATOM 169 CZ ARG A 141 0.945 -11.511 10.249 1.00 0.00 C ATOM 170 NH1 ARG A 141 1.299 -12.717 10.703 1.00 0.00 N ATOM 171 NH2 ARG A 141 1.639 -10.939 9.261 1.00 0.00 N ATOM 0 H ARG A 141 -4.433 -9.685 9.159 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.738 -8.288 11.545 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -4.000 -10.741 11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -2.666 -10.802 10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.655 -9.439 12.494 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.595 -10.781 13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.295 -11.528 12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.336 -12.351 11.623 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.355 -9.964 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.769 -13.154 11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.099 -13.201 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.368 -10.019 8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 141 2.439 -11.423 8.854 1.00 0.00 H new ATOM 185 N SER A 142 -1.740 -6.924 10.863 1.00 0.00 N ATOM 186 CA SER A 142 -0.494 -6.236 10.573 1.00 0.00 C ATOM 187 C SER A 142 0.693 -7.104 10.976 1.00 0.00 C ATOM 188 O SER A 142 0.684 -7.735 12.030 1.00 0.00 O ATOM 189 CB SER A 142 -0.395 -4.906 11.319 1.00 0.00 C ATOM 190 OG SER A 142 -1.374 -4.013 10.847 1.00 0.00 O ATOM 0 H SER A 142 -2.354 -6.443 11.520 1.00 0.00 H new ATOM 0 HA SER A 142 -0.478 -6.042 9.501 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.526 -5.069 12.389 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.597 -4.476 11.182 1.00 0.00 H new ATOM 0 HG SER A 142 -1.997 -3.797 11.572 1.00 0.00 H new ATOM 196 N SER A 143 1.735 -7.059 10.155 1.00 0.00 N ATOM 197 CA SER A 143 3.005 -7.698 10.414 1.00 0.00 C ATOM 198 C SER A 143 3.779 -6.775 11.355 1.00 0.00 C ATOM 199 O SER A 143 4.488 -7.247 12.239 1.00 0.00 O ATOM 200 CB SER A 143 3.742 -7.912 9.091 1.00 0.00 C ATOM 201 OG SER A 143 2.952 -8.689 8.208 1.00 0.00 O ATOM 0 H SER A 143 1.712 -6.560 9.266 1.00 0.00 H new ATOM 0 HA SER A 143 2.887 -8.678 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 143 3.970 -6.949 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 143 4.693 -8.411 9.274 1.00 0.00 H new ATOM 0 HG SER A 143 3.390 -9.552 8.051 1.00 0.00 H new ATOM 207 N GLY A 144 3.634 -5.455 11.179 1.00 0.00 N ATOM 208 CA GLY A 144 4.280 -4.493 12.050 1.00 0.00 C ATOM 209 C GLY A 144 4.044 -3.062 11.580 1.00 0.00 C ATOM 210 O GLY A 144 3.223 -2.803 10.697 1.00 0.00 O ATOM 0 H GLY A 144 3.072 -5.039 10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.902 -4.610 13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.351 -4.693 12.083 1.00 0.00 H new ATOM 214 N LYS A 145 4.800 -2.141 12.181 1.00 0.00 N ATOM 215 CA LYS A 145 4.802 -0.728 11.854 1.00 0.00 C ATOM 216 C LYS A 145 5.651 -0.596 10.588 1.00 0.00 C ATOM 217 O LYS A 145 6.827 -0.959 10.595 1.00 0.00 O ATOM 218 CB LYS A 145 5.393 0.035 13.050 1.00 0.00 C ATOM 219 CG LYS A 145 5.269 1.561 12.969 1.00 0.00 C ATOM 220 CD LYS A 145 3.805 2.016 12.913 1.00 0.00 C ATOM 221 CE LYS A 145 3.638 3.399 13.553 1.00 0.00 C ATOM 222 NZ LYS A 145 2.272 3.918 13.375 1.00 0.00 N ATOM 0 H LYS A 145 5.447 -2.374 12.934 1.00 0.00 H new ATOM 0 HA LYS A 145 3.811 -0.314 11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 145 4.900 -0.307 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 145 6.448 -0.225 13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 145 5.756 2.011 13.834 1.00 0.00 H new ATOM 0 HG3 LYS A 145 5.795 1.921 12.085 1.00 0.00 H new ATOM 0 HD2 LYS A 145 3.469 2.047 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 145 3.175 1.293 13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.869 3.338 14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 145 4.352 4.094 13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 2.083 4.649 14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 2.178 4.330 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 1.589 3.142 13.484 1.00 0.00 H new ATOM 236 N HIS A 146 5.053 -0.159 9.481 1.00 0.00 N ATOM 237 CA HIS A 146 5.705 -0.069 8.184 1.00 0.00 C ATOM 238 C HIS A 146 5.482 1.328 7.621 1.00 0.00 C ATOM 239 O HIS A 146 4.346 1.769 7.473 1.00 0.00 O ATOM 240 CB HIS A 146 5.130 -1.149 7.263 1.00 0.00 C ATOM 241 CG HIS A 146 5.305 -2.550 7.801 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.236 -2.957 8.732 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.528 -3.635 7.498 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.032 -4.264 8.967 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.010 -4.724 8.229 1.00 0.00 N ATOM 0 H HIS A 146 4.080 0.148 9.465 1.00 0.00 H new ATOM 0 HA HIS A 146 6.779 -0.235 8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.068 -0.957 7.108 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.612 -1.079 6.288 1.00 0.00 H new ATOM 0 HD1 HIS A 146 6.951 -2.372 9.164 1.00 0.00 H new ATOM 0 HD2 HIS A 146 3.691 -3.647 6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.611 -4.862 9.655 1.00 0.00 H new ATOM 253 N TYR A 147 6.574 2.041 7.337 1.00 0.00 N ATOM 254 CA TYR A 147 6.536 3.398 6.803 1.00 0.00 C ATOM 255 C TYR A 147 5.664 4.308 7.679 1.00 0.00 C ATOM 256 O TYR A 147 4.973 5.190 7.175 1.00 0.00 O ATOM 257 CB TYR A 147 6.070 3.375 5.337 1.00 0.00 C ATOM 258 CG TYR A 147 6.552 2.186 4.531 1.00 0.00 C ATOM 259 CD1 TYR A 147 7.928 1.918 4.397 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.613 1.285 4.000 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.357 0.750 3.746 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.044 0.152 3.293 1.00 0.00 C ATOM 263 CZ TYR A 147 7.415 -0.120 3.175 1.00 0.00 C ATOM 264 OH TYR A 147 7.832 -1.232 2.513 1.00 0.00 O ATOM 0 H TYR A 147 7.520 1.685 7.474 1.00 0.00 H new ATOM 0 HA TYR A 147 7.542 3.817 6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.980 3.390 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.411 4.288 4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.654 2.611 4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.557 1.465 4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.411 0.521 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.321 -0.510 2.840 1.00 0.00 H new ATOM 0 HH TYR A 147 7.079 -1.621 2.020 1.00 0.00 H new ATOM 274 N GLY A 148 5.702 4.082 8.997 1.00 0.00 N ATOM 275 CA GLY A 148 4.949 4.849 9.977 1.00 0.00 C ATOM 276 C GLY A 148 3.480 4.432 10.112 1.00 0.00 C ATOM 277 O GLY A 148 2.743 5.095 10.837 1.00 0.00 O ATOM 0 H GLY A 148 6.271 3.345 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.433 4.750 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.992 5.904 9.706 1.00 0.00 H new ATOM 281 N VAL A 149 3.033 3.355 9.452 1.00 0.00 N ATOM 282 CA VAL A 149 1.645 2.903 9.498 1.00 0.00 C ATOM 283 C VAL A 149 1.595 1.395 9.788 1.00 0.00 C ATOM 284 O VAL A 149 2.388 0.636 9.240 1.00 0.00 O ATOM 285 CB VAL A 149 0.983 3.250 8.153 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.466 2.768 8.098 1.00 0.00 C ATOM 287 CG2 VAL A 149 1.012 4.760 7.873 1.00 0.00 C ATOM 0 H VAL A 149 3.633 2.772 8.868 1.00 0.00 H new ATOM 0 HA VAL A 149 1.100 3.402 10.299 1.00 0.00 H new ATOM 0 HB VAL A 149 1.565 2.735 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.901 3.031 7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.495 1.686 8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.038 3.243 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.535 4.961 6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.476 5.287 8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.046 5.105 7.843 1.00 0.00 H new ATOM 297 N TYR A 150 0.671 0.941 10.642 1.00 0.00 N ATOM 298 CA TYR A 150 0.528 -0.484 10.935 1.00 0.00 C ATOM 299 C TYR A 150 0.054 -1.196 9.668 1.00 0.00 C ATOM 300 O TYR A 150 -0.972 -0.808 9.097 1.00 0.00 O ATOM 301 CB TYR A 150 -0.451 -0.702 12.097 1.00 0.00 C ATOM 302 CG TYR A 150 -0.005 -0.060 13.396 1.00 0.00 C ATOM 303 CD1 TYR A 150 1.048 -0.627 14.141 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.598 1.140 13.833 1.00 0.00 C ATOM 305 CE1 TYR A 150 1.566 0.052 15.255 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.101 1.798 14.970 1.00 0.00 C ATOM 307 CZ TYR A 150 0.973 1.248 15.687 1.00 0.00 C ATOM 308 OH TYR A 150 1.375 1.829 16.851 1.00 0.00 O ATOM 0 H TYR A 150 0.013 1.541 11.140 1.00 0.00 H new ATOM 0 HA TYR A 150 1.488 -0.899 11.242 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.426 -0.301 11.820 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.580 -1.773 12.256 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.457 -1.585 13.855 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -1.436 1.555 13.293 1.00 0.00 H new ATOM 0 HE1 TYR A 150 2.422 -0.346 15.780 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -0.546 2.728 15.293 1.00 0.00 H new ATOM 0 HH TYR A 150 0.862 2.651 17.001 1.00 0.00 H new ATOM 318 N SER A 151 0.803 -2.195 9.189 1.00 0.00 N ATOM 319 CA SER A 151 0.456 -2.903 7.965 1.00 0.00 C ATOM 320 C SER A 151 1.060 -4.304 7.907 1.00 0.00 C ATOM 321 O SER A 151 1.846 -4.695 8.771 1.00 0.00 O ATOM 322 CB SER A 151 0.810 -2.034 6.747 1.00 0.00 C ATOM 323 OG SER A 151 -0.258 -1.145 6.486 1.00 0.00 O ATOM 0 H SER A 151 1.656 -2.528 9.637 1.00 0.00 H new ATOM 0 HA SER A 151 -0.621 -3.070 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.726 -1.475 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 151 0.996 -2.664 5.877 1.00 0.00 H new ATOM 0 HG SER A 151 -0.700 -0.909 7.328 1.00 0.00 H new ATOM 329 N CYS A 152 0.642 -5.070 6.891 1.00 0.00 N ATOM 330 CA CYS A 152 1.040 -6.451 6.652 1.00 0.00 C ATOM 331 C CYS A 152 2.081 -6.555 5.538 1.00 0.00 C ATOM 332 O CYS A 152 2.115 -5.710 4.644 1.00 0.00 O ATOM 333 CB CYS A 152 -0.198 -7.306 6.348 1.00 0.00 C ATOM 334 SG CYS A 152 -1.180 -6.841 4.894 1.00 0.00 S ATOM 0 H CYS A 152 -0.010 -4.724 6.187 1.00 0.00 H new ATOM 0 HA CYS A 152 1.513 -6.834 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.126 -8.339 6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.851 -7.280 7.221 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.748 -5.691 5.104 1.00 0.00 H new ATOM 339 N GLU A 153 2.913 -7.601 5.596 1.00 0.00 N ATOM 340 CA GLU A 153 3.972 -7.920 4.638 1.00 0.00 C ATOM 341 C GLU A 153 3.552 -7.658 3.187 1.00 0.00 C ATOM 342 O GLU A 153 4.285 -7.020 2.433 1.00 0.00 O ATOM 343 CB GLU A 153 4.373 -9.393 4.813 1.00 0.00 C ATOM 344 CG GLU A 153 5.230 -9.611 6.069 1.00 0.00 C ATOM 345 CD GLU A 153 4.983 -10.984 6.692 1.00 0.00 C ATOM 346 OE1 GLU A 153 5.651 -11.940 6.244 1.00 0.00 O ATOM 347 OE2 GLU A 153 4.118 -11.050 7.595 1.00 0.00 O ATOM 0 H GLU A 153 2.861 -8.282 6.353 1.00 0.00 H new ATOM 0 HA GLU A 153 4.819 -7.265 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 153 3.475 -10.008 4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 153 4.926 -9.725 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 153 6.285 -9.513 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 153 5.007 -8.834 6.801 1.00 0.00 H new ATOM 354 N GLY A 154 2.375 -8.152 2.791 1.00 0.00 N ATOM 355 CA GLY A 154 1.860 -7.964 1.442 1.00 0.00 C ATOM 356 C GLY A 154 1.832 -6.481 1.068 1.00 0.00 C ATOM 357 O GLY A 154 2.399 -6.075 0.054 1.00 0.00 O ATOM 0 H GLY A 154 1.758 -8.691 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 154 2.481 -8.510 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 154 0.855 -8.380 1.371 1.00 0.00 H new ATOM 361 N CYS A 155 1.198 -5.665 1.915 1.00 0.00 N ATOM 362 CA CYS A 155 1.110 -4.227 1.726 1.00 0.00 C ATOM 363 C CYS A 155 2.501 -3.596 1.779 1.00 0.00 C ATOM 364 O CYS A 155 2.810 -2.725 0.967 1.00 0.00 O ATOM 365 CB CYS A 155 0.177 -3.626 2.773 1.00 0.00 C ATOM 366 SG CYS A 155 -1.568 -3.995 2.466 1.00 0.00 S ATOM 0 H CYS A 155 0.729 -5.995 2.758 1.00 0.00 H new ATOM 0 HA CYS A 155 0.694 -4.015 0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.454 -4.004 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.315 -2.545 2.796 1.00 0.00 H new ATOM 0 HG CYS A 155 -2.230 -3.922 3.583 1.00 0.00 H new ATOM 371 N LYS A 156 3.334 -4.040 2.725 1.00 0.00 N ATOM 372 CA LYS A 156 4.698 -3.559 2.887 1.00 0.00 C ATOM 373 C LYS A 156 5.445 -3.650 1.556 1.00 0.00 C ATOM 374 O LYS A 156 5.925 -2.638 1.035 1.00 0.00 O ATOM 375 CB LYS A 156 5.418 -4.353 3.986 1.00 0.00 C ATOM 376 CG LYS A 156 6.741 -3.687 4.381 1.00 0.00 C ATOM 377 CD LYS A 156 7.462 -4.554 5.414 1.00 0.00 C ATOM 378 CE LYS A 156 8.696 -3.828 5.957 1.00 0.00 C ATOM 379 NZ LYS A 156 9.400 -4.648 6.959 1.00 0.00 N ATOM 0 H LYS A 156 3.071 -4.753 3.406 1.00 0.00 H new ATOM 0 HA LYS A 156 4.675 -2.513 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 156 4.773 -4.433 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 156 5.609 -5.368 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 156 7.370 -3.553 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 156 6.552 -2.695 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 156 6.784 -4.793 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 156 7.759 -5.499 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 156 9.373 -3.592 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 156 8.396 -2.881 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.231 -4.130 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 8.760 -4.852 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 9.706 -5.541 6.523 1.00 0.00 H new ATOM 393 N GLY A 157 5.536 -4.872 1.024 1.00 0.00 N ATOM 394 CA GLY A 157 6.211 -5.175 -0.227 1.00 0.00 C ATOM 395 C GLY A 157 5.557 -4.429 -1.382 1.00 0.00 C ATOM 396 O GLY A 157 6.240 -3.747 -2.142 1.00 0.00 O ATOM 0 H GLY A 157 5.129 -5.695 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 157 7.263 -4.897 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 157 6.177 -6.248 -0.414 1.00 0.00 H new ATOM 400 N PHE A 158 4.230 -4.555 -1.501 1.00 0.00 N ATOM 401 CA PHE A 158 3.434 -3.886 -2.522 1.00 0.00 C ATOM 402 C PHE A 158 3.824 -2.412 -2.618 1.00 0.00 C ATOM 403 O PHE A 158 4.186 -1.934 -3.694 1.00 0.00 O ATOM 404 CB PHE A 158 1.941 -4.032 -2.183 1.00 0.00 C ATOM 405 CG PHE A 158 1.026 -3.028 -2.856 1.00 0.00 C ATOM 406 CD1 PHE A 158 0.587 -3.249 -4.172 1.00 0.00 C ATOM 407 CD2 PHE A 158 0.706 -1.818 -2.208 1.00 0.00 C ATOM 408 CE1 PHE A 158 -0.165 -2.264 -4.831 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.068 -0.786 -2.916 1.00 0.00 C ATOM 410 CZ PHE A 158 -0.371 -1.011 -4.230 1.00 0.00 C ATOM 0 H PHE A 158 3.674 -5.138 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 158 3.625 -4.349 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.618 -5.036 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 158 1.819 -3.944 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 158 0.827 -4.174 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 158 0.952 -1.684 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.587 -2.470 -5.804 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.084 0.177 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.866 -0.223 -4.778 1.00 0.00 H new ATOM 420 N PHE A 159 3.740 -1.698 -1.493 1.00 0.00 N ATOM 421 CA PHE A 159 4.030 -0.277 -1.443 1.00 0.00 C ATOM 422 C PHE A 159 5.491 -0.026 -1.801 1.00 0.00 C ATOM 423 O PHE A 159 5.756 0.800 -2.670 1.00 0.00 O ATOM 424 CB PHE A 159 3.645 0.308 -0.079 1.00 0.00 C ATOM 425 CG PHE A 159 3.740 1.823 -0.001 1.00 0.00 C ATOM 426 CD1 PHE A 159 2.821 2.631 -0.698 1.00 0.00 C ATOM 427 CD2 PHE A 159 4.730 2.431 0.794 1.00 0.00 C ATOM 428 CE1 PHE A 159 2.880 4.033 -0.583 1.00 0.00 C ATOM 429 CE2 PHE A 159 4.767 3.829 0.937 1.00 0.00 C ATOM 430 CZ PHE A 159 3.842 4.632 0.250 1.00 0.00 C ATOM 0 H PHE A 159 3.468 -2.096 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 159 3.423 0.241 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 159 2.625 0.007 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.291 -0.125 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.068 2.174 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 159 5.465 1.820 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.186 4.649 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.508 4.286 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 159 3.869 5.706 0.361 1.00 0.00 H new ATOM 440 N LYS A 160 6.431 -0.740 -1.165 1.00 0.00 N ATOM 441 CA LYS A 160 7.852 -0.559 -1.447 1.00 0.00 C ATOM 442 C LYS A 160 8.117 -0.649 -2.952 1.00 0.00 C ATOM 443 O LYS A 160 8.676 0.268 -3.554 1.00 0.00 O ATOM 444 CB LYS A 160 8.711 -1.579 -0.670 1.00 0.00 C ATOM 445 CG LYS A 160 10.001 -0.940 -0.134 1.00 0.00 C ATOM 446 CD LYS A 160 10.807 -1.860 0.791 1.00 0.00 C ATOM 447 CE LYS A 160 11.255 -3.169 0.130 1.00 0.00 C ATOM 448 NZ LYS A 160 12.055 -2.926 -1.083 1.00 0.00 N ATOM 0 H LYS A 160 6.228 -1.444 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 160 8.139 0.437 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.133 -1.985 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 160 8.962 -2.415 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 160 10.628 -0.647 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 160 9.747 -0.028 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 160 11.687 -1.323 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.204 -2.095 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 160 11.841 -3.753 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 160 10.379 -3.765 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.209 -3.825 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 11.548 -2.265 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.973 -2.516 -0.817 1.00 0.00 H new ATOM 462 N ARG A 161 7.693 -1.758 -3.559 1.00 0.00 N ATOM 463 CA ARG A 161 7.862 -2.009 -4.977 1.00 0.00 C ATOM 464 C ARG A 161 7.190 -0.916 -5.804 1.00 0.00 C ATOM 465 O ARG A 161 7.842 -0.299 -6.642 1.00 0.00 O ATOM 466 CB ARG A 161 7.315 -3.397 -5.321 1.00 0.00 C ATOM 467 CG ARG A 161 8.206 -4.499 -4.728 1.00 0.00 C ATOM 468 CD ARG A 161 7.636 -5.894 -5.002 1.00 0.00 C ATOM 469 NE ARG A 161 7.572 -6.175 -6.442 1.00 0.00 N ATOM 470 CZ ARG A 161 7.219 -7.353 -6.975 1.00 0.00 C ATOM 471 NH1 ARG A 161 6.867 -8.373 -6.186 1.00 0.00 N ATOM 472 NH2 ARG A 161 7.226 -7.502 -8.304 1.00 0.00 N ATOM 0 H ARG A 161 7.217 -2.513 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 161 8.924 -1.989 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 161 6.300 -3.498 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.259 -3.512 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.208 -4.425 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.303 -4.350 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 161 8.255 -6.644 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 161 6.638 -5.972 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 161 7.814 -5.419 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 161 6.866 -8.257 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 161 6.599 -9.267 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 161 7.498 -6.723 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 161 6.959 -8.395 -8.718 1.00 0.00 H new ATOM 486 N THR A 162 5.898 -0.673 -5.569 1.00 0.00 N ATOM 487 CA THR A 162 5.127 0.332 -6.291 1.00 0.00 C ATOM 488 C THR A 162 5.840 1.689 -6.291 1.00 0.00 C ATOM 489 O THR A 162 6.046 2.285 -7.348 1.00 0.00 O ATOM 490 CB THR A 162 3.716 0.420 -5.689 1.00 0.00 C ATOM 491 OG1 THR A 162 3.032 -0.802 -5.889 1.00 0.00 O ATOM 492 CG2 THR A 162 2.887 1.524 -6.334 1.00 0.00 C ATOM 0 H THR A 162 5.357 -1.175 -4.865 1.00 0.00 H new ATOM 0 HA THR A 162 5.038 0.034 -7.336 1.00 0.00 H new ATOM 0 HB THR A 162 3.837 0.638 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.284 -1.437 -5.186 1.00 0.00 H new ATOM 0 HG21 THR A 162 1.897 1.550 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.381 2.484 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 162 2.789 1.329 -7.402 1.00 0.00 H new ATOM 500 N VAL A 163 6.217 2.169 -5.104 1.00 0.00 N ATOM 501 CA VAL A 163 6.900 3.441 -4.922 1.00 0.00 C ATOM 502 C VAL A 163 8.246 3.436 -5.647 1.00 0.00 C ATOM 503 O VAL A 163 8.523 4.350 -6.422 1.00 0.00 O ATOM 504 CB VAL A 163 7.072 3.706 -3.419 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.066 4.838 -3.122 1.00 0.00 C ATOM 506 CG2 VAL A 163 5.738 4.041 -2.752 1.00 0.00 C ATOM 0 H VAL A 163 6.051 1.671 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 163 6.304 4.244 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 163 7.471 2.779 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.146 4.979 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.044 4.579 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 163 7.715 5.761 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 163 5.898 4.222 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.315 4.934 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.049 3.206 -2.878 1.00 0.00 H new ATOM 516 N ARG A 164 9.095 2.436 -5.390 1.00 0.00 N ATOM 517 CA ARG A 164 10.417 2.378 -6.003 1.00 0.00 C ATOM 518 C ARG A 164 10.331 2.365 -7.528 1.00 0.00 C ATOM 519 O ARG A 164 11.069 3.085 -8.200 1.00 0.00 O ATOM 520 CB ARG A 164 11.218 1.181 -5.484 1.00 0.00 C ATOM 521 CG ARG A 164 11.688 1.426 -4.047 1.00 0.00 C ATOM 522 CD ARG A 164 12.551 0.260 -3.564 1.00 0.00 C ATOM 523 NE ARG A 164 12.984 0.477 -2.180 1.00 0.00 N ATOM 524 CZ ARG A 164 13.940 -0.218 -1.553 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.632 -1.179 -2.173 1.00 0.00 N ATOM 526 NH2 ARG A 164 14.201 0.051 -0.277 1.00 0.00 N ATOM 0 H ARG A 164 8.887 1.659 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 164 10.948 3.285 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.603 0.282 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.079 1.006 -6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.258 2.354 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 164 10.826 1.545 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 164 11.987 -0.670 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.422 0.153 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 164 12.519 1.217 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.437 -1.399 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 164 15.355 -1.692 -1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 164 13.676 0.778 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.927 -0.470 0.216 1.00 0.00 H new ATOM 540 N LYS A 165 9.428 1.545 -8.062 1.00 0.00 N ATOM 541 CA LYS A 165 9.184 1.436 -9.491 1.00 0.00 C ATOM 542 C LYS A 165 8.569 2.731 -10.022 1.00 0.00 C ATOM 543 O LYS A 165 8.804 3.099 -11.169 1.00 0.00 O ATOM 544 CB LYS A 165 8.224 0.272 -9.749 1.00 0.00 C ATOM 545 CG LYS A 165 8.857 -1.107 -9.524 1.00 0.00 C ATOM 546 CD LYS A 165 9.583 -1.572 -10.791 1.00 0.00 C ATOM 547 CE LYS A 165 10.234 -2.940 -10.566 1.00 0.00 C ATOM 548 NZ LYS A 165 10.935 -3.405 -11.775 1.00 0.00 N ATOM 0 H LYS A 165 8.838 0.930 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 165 10.129 1.259 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 165 7.357 0.375 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 165 7.860 0.333 -10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 165 9.558 -1.061 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 165 8.086 -1.829 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 165 8.878 -1.630 -11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 165 10.343 -0.842 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 165 10.938 -2.878 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 165 9.471 -3.666 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 11.365 -4.334 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 10.257 -3.487 -12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 11.678 -2.723 -12.029 1.00 0.00 H new ATOM 562 N ASP A 166 7.744 3.385 -9.197 1.00 0.00 N ATOM 563 CA ASP A 166 6.998 4.587 -9.532 1.00 0.00 C ATOM 564 C ASP A 166 6.022 4.241 -10.655 1.00 0.00 C ATOM 565 O ASP A 166 5.996 4.867 -11.711 1.00 0.00 O ATOM 566 CB ASP A 166 7.940 5.756 -9.851 1.00 0.00 C ATOM 567 CG ASP A 166 7.198 7.086 -9.865 1.00 0.00 C ATOM 568 OD1 ASP A 166 6.709 7.465 -8.777 1.00 0.00 O ATOM 569 OD2 ASP A 166 7.149 7.714 -10.945 1.00 0.00 O ATOM 0 H ASP A 166 7.576 3.073 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 166 6.415 4.936 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 166 8.739 5.792 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 166 8.410 5.591 -10.820 1.00 0.00 H new ATOM 574 N LEU A 167 5.230 3.193 -10.411 1.00 0.00 N ATOM 575 CA LEU A 167 4.277 2.668 -11.382 1.00 0.00 C ATOM 576 C LEU A 167 3.191 3.684 -11.724 1.00 0.00 C ATOM 577 O LEU A 167 2.962 4.638 -10.984 1.00 0.00 O ATOM 578 CB LEU A 167 3.601 1.402 -10.833 1.00 0.00 C ATOM 579 CG LEU A 167 4.564 0.252 -10.510 1.00 0.00 C ATOM 580 CD1 LEU A 167 3.768 -0.886 -9.862 1.00 0.00 C ATOM 581 CD2 LEU A 167 5.274 -0.264 -11.768 1.00 0.00 C ATOM 0 H LEU A 167 5.235 2.684 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 167 4.841 2.439 -12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 167 3.051 1.663 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 167 2.869 1.052 -11.561 1.00 0.00 H new ATOM 0 HG LEU A 167 5.331 0.621 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 167 4.440 -1.712 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 167 3.300 -0.527 -8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 167 2.998 -1.230 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 167 5.947 -1.078 -11.498 1.00 0.00 H new ATOM 0 HD22 LEU A 167 4.533 -0.627 -12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 167 5.847 0.546 -12.221 1.00 0.00 H new ATOM 593 N THR A 168 2.484 3.425 -12.824 1.00 0.00 N ATOM 594 CA THR A 168 1.331 4.196 -13.256 1.00 0.00 C ATOM 595 C THR A 168 0.113 3.587 -12.561 1.00 0.00 C ATOM 596 O THR A 168 -0.083 2.373 -12.628 1.00 0.00 O ATOM 597 CB THR A 168 1.206 4.099 -14.783 1.00 0.00 C ATOM 598 OG1 THR A 168 2.475 4.292 -15.375 1.00 0.00 O ATOM 599 CG2 THR A 168 0.228 5.142 -15.333 1.00 0.00 C ATOM 0 H THR A 168 2.708 2.652 -13.451 1.00 0.00 H new ATOM 0 HA THR A 168 1.421 5.251 -12.998 1.00 0.00 H new ATOM 0 HB THR A 168 0.823 3.108 -15.027 1.00 0.00 H new ATOM 0 HG1 THR A 168 2.394 4.228 -16.350 1.00 0.00 H new ATOM 0 HG21 THR A 168 0.164 5.045 -16.417 1.00 0.00 H new ATOM 0 HG22 THR A 168 -0.758 4.983 -14.895 1.00 0.00 H new ATOM 0 HG23 THR A 168 0.581 6.141 -15.079 1.00 0.00 H new ATOM 607 N TYR A 169 -0.695 4.396 -11.873 1.00 0.00 N ATOM 608 CA TYR A 169 -1.849 3.879 -11.153 1.00 0.00 C ATOM 609 C TYR A 169 -3.019 3.621 -12.091 1.00 0.00 C ATOM 610 O TYR A 169 -3.435 4.491 -12.855 1.00 0.00 O ATOM 611 CB TYR A 169 -2.233 4.806 -9.997 1.00 0.00 C ATOM 612 CG TYR A 169 -1.120 4.896 -8.974 1.00 0.00 C ATOM 613 CD1 TYR A 169 -0.762 3.721 -8.289 1.00 0.00 C ATOM 614 CD2 TYR A 169 -0.172 5.926 -9.101 1.00 0.00 C ATOM 615 CE1 TYR A 169 0.591 3.437 -8.053 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.179 5.666 -8.823 1.00 0.00 C ATOM 617 CZ TYR A 169 1.567 4.397 -8.362 1.00 0.00 C ATOM 618 OH TYR A 169 2.883 4.050 -8.369 1.00 0.00 O ATOM 0 H TYR A 169 -0.569 5.406 -11.802 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.573 2.917 -10.720 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -2.456 5.800 -10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -3.141 4.438 -9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -1.526 3.040 -7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.482 6.913 -9.411 1.00 0.00 H new ATOM 0 HE1 TYR A 169 0.880 2.484 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.919 6.440 -8.963 1.00 0.00 H new ATOM 0 HH TYR A 169 3.258 4.208 -9.260 1.00 0.00 H new ATOM 628 N THR A 170 -3.557 2.407 -12.022 1.00 0.00 N ATOM 629 CA THR A 170 -4.695 1.924 -12.779 1.00 0.00 C ATOM 630 C THR A 170 -5.239 0.752 -11.959 1.00 0.00 C ATOM 631 O THR A 170 -4.516 0.213 -11.118 1.00 0.00 O ATOM 632 CB THR A 170 -4.250 1.513 -14.195 1.00 0.00 C ATOM 633 OG1 THR A 170 -3.587 2.583 -14.839 1.00 0.00 O ATOM 634 CG2 THR A 170 -5.427 1.102 -15.087 1.00 0.00 C ATOM 0 H THR A 170 -3.183 1.694 -11.396 1.00 0.00 H new ATOM 0 HA THR A 170 -5.469 2.677 -12.928 1.00 0.00 H new ATOM 0 HB THR A 170 -3.586 0.659 -14.062 1.00 0.00 H new ATOM 0 HG1 THR A 170 -3.310 2.303 -15.737 1.00 0.00 H new ATOM 0 HG21 THR A 170 -5.056 0.822 -16.073 1.00 0.00 H new ATOM 0 HG22 THR A 170 -5.944 0.253 -14.639 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.119 1.938 -15.184 1.00 0.00 H new ATOM 642 N CYS A 171 -6.502 0.384 -12.160 1.00 0.00 N ATOM 643 CA CYS A 171 -7.170 -0.715 -11.485 1.00 0.00 C ATOM 644 C CYS A 171 -8.417 -1.017 -12.320 1.00 0.00 C ATOM 645 O CYS A 171 -8.681 -0.304 -13.287 1.00 0.00 O ATOM 646 CB CYS A 171 -7.503 -0.292 -10.044 1.00 0.00 C ATOM 647 SG CYS A 171 -8.179 -1.568 -8.952 1.00 0.00 S ATOM 0 H CYS A 171 -7.108 0.865 -12.825 1.00 0.00 H new ATOM 0 HA CYS A 171 -6.556 -1.612 -11.406 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -6.594 0.099 -9.587 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.217 0.530 -10.088 1.00 0.00 H new ATOM 0 HG CYS A 171 -9.386 -1.868 -9.331 1.00 0.00 H new ATOM 652 N ARG A 172 -9.191 -2.040 -11.945 1.00 0.00 N ATOM 653 CA ARG A 172 -10.459 -2.377 -12.581 1.00 0.00 C ATOM 654 C ARG A 172 -11.357 -1.134 -12.641 1.00 0.00 C ATOM 655 O ARG A 172 -12.048 -0.907 -13.630 1.00 0.00 O ATOM 656 CB ARG A 172 -11.133 -3.487 -11.768 1.00 0.00 C ATOM 657 CG ARG A 172 -10.354 -4.808 -11.861 1.00 0.00 C ATOM 658 CD ARG A 172 -10.758 -5.761 -10.730 1.00 0.00 C ATOM 659 NE ARG A 172 -10.262 -5.304 -9.421 1.00 0.00 N ATOM 660 CZ ARG A 172 -9.022 -5.517 -8.952 1.00 0.00 C ATOM 661 NH1 ARG A 172 -8.076 -6.068 -9.717 1.00 0.00 N ATOM 662 NH2 ARG A 172 -8.706 -5.198 -7.695 1.00 0.00 N ATOM 0 H ARG A 172 -8.946 -2.665 -11.177 1.00 0.00 H new ATOM 0 HA ARG A 172 -10.288 -2.725 -13.600 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -11.208 -3.181 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -12.150 -3.637 -12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -10.544 -5.280 -12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -9.284 -4.608 -11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -11.844 -5.845 -10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -10.368 -6.757 -10.938 1.00 0.00 H new ATOM 0 HE ARG A 172 -10.909 -4.787 -8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -8.289 -6.336 -10.678 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -7.140 -6.221 -9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -9.410 -4.788 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -7.761 -5.364 -7.349 1.00 0.00 H new ATOM 676 N ASP A 173 -11.315 -0.328 -11.573 1.00 0.00 N ATOM 677 CA ASP A 173 -12.027 0.936 -11.447 1.00 0.00 C ATOM 678 C ASP A 173 -11.001 1.966 -10.954 1.00 0.00 C ATOM 679 O ASP A 173 -9.872 1.993 -11.437 1.00 0.00 O ATOM 680 CB ASP A 173 -13.230 0.779 -10.503 1.00 0.00 C ATOM 681 CG ASP A 173 -14.151 -0.367 -10.908 1.00 0.00 C ATOM 682 OD1 ASP A 173 -15.082 -0.098 -11.698 1.00 0.00 O ATOM 683 OD2 ASP A 173 -13.907 -1.492 -10.416 1.00 0.00 O ATOM 0 H ASP A 173 -10.762 -0.552 -10.746 1.00 0.00 H new ATOM 0 HA ASP A 173 -12.446 1.271 -12.396 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.870 0.609 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.799 1.709 -10.488 1.00 0.00 H new ATOM 688 N ASN A 174 -11.349 2.796 -9.971 1.00 0.00 N ATOM 689 CA ASN A 174 -10.458 3.761 -9.329 1.00 0.00 C ATOM 690 C ASN A 174 -10.609 3.514 -7.821 1.00 0.00 C ATOM 691 O ASN A 174 -11.045 2.430 -7.435 1.00 0.00 O ATOM 692 CB ASN A 174 -10.827 5.189 -9.791 1.00 0.00 C ATOM 693 CG ASN A 174 -10.082 5.666 -11.044 1.00 0.00 C ATOM 694 OD1 ASN A 174 -9.915 6.868 -11.235 1.00 0.00 O ATOM 695 ND2 ASN A 174 -9.584 4.775 -11.897 1.00 0.00 N ATOM 0 H ASN A 174 -12.293 2.815 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 174 -9.408 3.647 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -11.899 5.229 -9.984 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -10.624 5.884 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -9.061 5.089 -12.714 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -9.726 3.778 -11.734 1.00 0.00 H new ATOM 702 N LYS A 175 -10.286 4.477 -6.950 1.00 0.00 N ATOM 703 CA LYS A 175 -10.375 4.337 -5.492 1.00 0.00 C ATOM 704 C LYS A 175 -11.747 3.895 -4.944 1.00 0.00 C ATOM 705 O LYS A 175 -11.863 3.618 -3.752 1.00 0.00 O ATOM 706 CB LYS A 175 -9.863 5.611 -4.808 1.00 0.00 C ATOM 707 CG LYS A 175 -10.716 6.853 -5.112 1.00 0.00 C ATOM 708 CD LYS A 175 -10.001 8.149 -4.698 1.00 0.00 C ATOM 709 CE LYS A 175 -9.566 8.179 -3.228 1.00 0.00 C ATOM 710 NZ LYS A 175 -10.698 7.968 -2.309 1.00 0.00 N ATOM 0 H LYS A 175 -9.949 5.393 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 175 -9.726 3.499 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -9.839 5.451 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -8.837 5.798 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.943 6.887 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -11.668 6.778 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -9.123 8.285 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -10.663 8.994 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -8.813 7.409 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -9.096 9.138 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -10.370 8.064 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -11.436 8.676 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -11.089 7.015 -2.452 1.00 0.00 H new ATOM 724 N ASP A 176 -12.767 3.771 -5.798 1.00 0.00 N ATOM 725 CA ASP A 176 -14.085 3.269 -5.442 1.00 0.00 C ATOM 726 C ASP A 176 -14.016 1.749 -5.247 1.00 0.00 C ATOM 727 O ASP A 176 -14.821 1.185 -4.508 1.00 0.00 O ATOM 728 CB ASP A 176 -15.076 3.610 -6.563 1.00 0.00 C ATOM 729 CG ASP A 176 -14.705 2.925 -7.878 1.00 0.00 C ATOM 730 OD1 ASP A 176 -13.704 3.370 -8.483 1.00 0.00 O ATOM 731 OD2 ASP A 176 -15.401 1.954 -8.239 1.00 0.00 O ATOM 0 H ASP A 176 -12.690 4.026 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 176 -14.419 3.733 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -16.080 3.306 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -15.101 4.690 -6.710 1.00 0.00 H new ATOM 736 N CYS A 177 -13.036 1.083 -5.873 1.00 0.00 N ATOM 737 CA CYS A 177 -12.788 -0.343 -5.707 1.00 0.00 C ATOM 738 C CYS A 177 -12.139 -0.532 -4.327 1.00 0.00 C ATOM 739 O CYS A 177 -10.931 -0.708 -4.188 1.00 0.00 O ATOM 740 CB CYS A 177 -11.971 -0.853 -6.905 1.00 0.00 C ATOM 741 SG CYS A 177 -11.057 -2.406 -6.721 1.00 0.00 S ATOM 0 H CYS A 177 -12.387 1.534 -6.518 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.694 -0.949 -5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -12.652 -0.966 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.256 -0.076 -7.175 1.00 0.00 H new ATOM 0 HG CYS A 177 -9.960 -2.349 -7.417 1.00 0.00 H new ATOM 746 N LEU A 178 -12.982 -0.427 -3.300 1.00 0.00 N ATOM 747 CA LEU A 178 -12.639 -0.496 -1.888 1.00 0.00 C ATOM 748 C LEU A 178 -11.692 -1.658 -1.575 1.00 0.00 C ATOM 749 O LEU A 178 -11.813 -2.751 -2.140 1.00 0.00 O ATOM 750 CB LEU A 178 -13.940 -0.601 -1.076 1.00 0.00 C ATOM 751 CG LEU A 178 -13.752 -0.590 0.453 1.00 0.00 C ATOM 752 CD1 LEU A 178 -13.169 0.737 0.953 1.00 0.00 C ATOM 753 CD2 LEU A 178 -15.108 -0.827 1.126 1.00 0.00 C ATOM 0 H LEU A 178 -13.981 -0.283 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 178 -12.100 0.410 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -14.592 0.227 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -14.454 -1.520 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 178 -13.047 -1.381 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -13.054 0.699 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -12.196 0.904 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -13.842 1.553 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -14.983 -0.821 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -15.801 -0.037 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -15.506 -1.792 0.813 1.00 0.00 H new ATOM 765 N ILE A 179 -10.766 -1.419 -0.641 1.00 0.00 N ATOM 766 CA ILE A 179 -9.820 -2.417 -0.183 1.00 0.00 C ATOM 767 C ILE A 179 -10.384 -3.134 1.039 1.00 0.00 C ATOM 768 O ILE A 179 -10.947 -2.503 1.929 1.00 0.00 O ATOM 769 CB ILE A 179 -8.457 -1.791 0.145 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.869 -0.939 -0.987 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.475 -2.907 0.523 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.595 -1.732 -2.264 1.00 0.00 C ATOM 0 H ILE A 179 -10.659 -0.514 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.665 -3.137 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 179 -8.617 -1.106 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -8.557 -0.125 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -6.940 -0.484 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.503 -2.473 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.852 -3.444 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.371 -3.598 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -7.180 -1.068 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -6.883 -2.530 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.526 -2.165 -2.630 1.00 0.00 H new ATOM 784 N ASP A 180 -10.189 -4.453 1.084 1.00 0.00 N ATOM 785 CA ASP A 180 -10.566 -5.347 2.164 1.00 0.00 C ATOM 786 C ASP A 180 -9.715 -6.604 1.975 1.00 0.00 C ATOM 787 O ASP A 180 -8.909 -6.678 1.040 1.00 0.00 O ATOM 788 CB ASP A 180 -12.061 -5.708 2.080 1.00 0.00 C ATOM 789 CG ASP A 180 -12.992 -4.555 2.441 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.033 -4.218 3.643 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.669 -4.061 1.512 1.00 0.00 O ATOM 0 H ASP A 180 -9.735 -4.949 0.317 1.00 0.00 H new ATOM 0 HA ASP A 180 -10.403 -4.883 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.288 -6.043 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.261 -6.547 2.746 1.00 0.00 H new ATOM 921 N CYS A 187 -3.973 -4.491 -6.771 1.00 0.00 N ATOM 922 CA CYS A 187 -4.962 -3.419 -6.728 1.00 0.00 C ATOM 923 C CYS A 187 -4.247 -2.067 -6.551 1.00 0.00 C ATOM 924 O CYS A 187 -4.467 -1.357 -5.568 1.00 0.00 O ATOM 925 CB CYS A 187 -5.960 -3.763 -5.611 1.00 0.00 C ATOM 926 SG CYS A 187 -7.454 -2.752 -5.541 1.00 0.00 S ATOM 0 HA CYS A 187 -5.525 -3.327 -7.657 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -6.256 -4.806 -5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -5.445 -3.681 -4.654 1.00 0.00 H new ATOM 0 HG CYS A 187 -7.738 -2.315 -6.732 1.00 0.00 H new ATOM 931 N GLN A 188 -3.368 -1.745 -7.514 1.00 0.00 N ATOM 932 CA GLN A 188 -2.488 -0.581 -7.544 1.00 0.00 C ATOM 933 C GLN A 188 -3.155 0.715 -7.092 1.00 0.00 C ATOM 934 O GLN A 188 -2.918 1.146 -5.968 1.00 0.00 O ATOM 935 CB GLN A 188 -1.814 -0.421 -8.920 1.00 0.00 C ATOM 936 CG GLN A 188 -0.821 -1.537 -9.290 1.00 0.00 C ATOM 937 CD GLN A 188 0.322 -1.724 -8.292 1.00 0.00 C ATOM 938 OE1 GLN A 188 0.706 -2.851 -7.995 1.00 0.00 O ATOM 939 NE2 GLN A 188 0.873 -0.641 -7.752 1.00 0.00 N ATOM 0 H GLN A 188 -3.251 -2.331 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.714 -0.781 -6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -2.589 -0.377 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -1.289 0.534 -8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -1.366 -2.477 -9.379 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -0.398 -1.320 -10.271 1.00 0.00 H new ATOM 0 HE21 GLN A 188 0.538 0.286 -8.014 1.00 0.00 H new ATOM 0 HE22 GLN A 188 1.631 -0.737 -7.076 1.00 0.00 H new ATOM 948 N TYR A 189 -3.935 1.362 -7.969 1.00 0.00 N ATOM 949 CA TYR A 189 -4.579 2.644 -7.702 1.00 0.00 C ATOM 950 C TYR A 189 -5.123 2.740 -6.279 1.00 0.00 C ATOM 951 O TYR A 189 -4.747 3.622 -5.514 1.00 0.00 O ATOM 952 CB TYR A 189 -5.684 2.870 -8.753 1.00 0.00 C ATOM 953 CG TYR A 189 -6.240 4.280 -8.871 1.00 0.00 C ATOM 954 CD1 TYR A 189 -6.985 4.852 -7.820 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.149 4.964 -10.100 1.00 0.00 C ATOM 956 CE1 TYR A 189 -7.566 6.121 -7.975 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.797 6.198 -10.276 1.00 0.00 C ATOM 958 CZ TYR A 189 -7.491 6.786 -9.207 1.00 0.00 C ATOM 959 OH TYR A 189 -8.250 7.899 -9.402 1.00 0.00 O ATOM 0 H TYR A 189 -4.136 0.997 -8.900 1.00 0.00 H new ATOM 0 HA TYR A 189 -3.833 3.434 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -5.292 2.577 -9.727 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -6.511 2.197 -8.527 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -7.109 4.313 -6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -5.578 4.537 -10.911 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -8.072 6.586 -7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -6.761 6.695 -11.234 1.00 0.00 H new ATOM 0 HH TYR A 189 -9.009 7.680 -9.982 1.00 0.00 H new ATOM 969 N CYS A 190 -6.028 1.830 -5.940 1.00 0.00 N ATOM 970 CA CYS A 190 -6.709 1.809 -4.662 1.00 0.00 C ATOM 971 C CYS A 190 -5.738 1.651 -3.488 1.00 0.00 C ATOM 972 O CYS A 190 -5.726 2.500 -2.599 1.00 0.00 O ATOM 973 CB CYS A 190 -7.724 0.673 -4.701 1.00 0.00 C ATOM 974 SG CYS A 190 -8.873 0.684 -6.094 1.00 0.00 S ATOM 0 H CYS A 190 -6.311 1.073 -6.562 1.00 0.00 H new ATOM 0 HA CYS A 190 -7.210 2.763 -4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.181 -0.272 -4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.303 0.698 -3.778 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.470 -0.161 -6.996 1.00 0.00 H new ATOM 979 N ARG A 191 -4.926 0.587 -3.450 1.00 0.00 N ATOM 980 CA ARG A 191 -4.020 0.410 -2.318 1.00 0.00 C ATOM 981 C ARG A 191 -3.036 1.569 -2.215 1.00 0.00 C ATOM 982 O ARG A 191 -2.734 2.020 -1.112 1.00 0.00 O ATOM 983 CB ARG A 191 -3.281 -0.931 -2.355 1.00 0.00 C ATOM 984 CG ARG A 191 -4.124 -2.076 -1.785 1.00 0.00 C ATOM 985 CD ARG A 191 -3.208 -3.151 -1.192 1.00 0.00 C ATOM 986 NE ARG A 191 -2.417 -3.805 -2.239 1.00 0.00 N ATOM 987 CZ ARG A 191 -2.847 -4.845 -2.963 1.00 0.00 C ATOM 988 NH1 ARG A 191 -4.088 -5.314 -2.798 1.00 0.00 N ATOM 989 NH2 ARG A 191 -2.033 -5.411 -3.853 1.00 0.00 N ATOM 0 H ARG A 191 -4.879 -0.139 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.642 0.402 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -3.005 -1.163 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.354 -0.848 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.798 -1.696 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.745 -2.508 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -2.542 -2.700 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.807 -3.894 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.481 -3.445 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -4.711 -4.879 -2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -4.411 -6.107 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -1.087 -5.051 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -2.356 -6.204 -4.407 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.544 2.063 -3.351 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.632 3.190 -3.370 1.00 0.00 C ATOM 1005 C TYR A 192 -2.321 4.408 -2.751 1.00 0.00 C ATOM 1006 O TYR A 192 -1.776 5.047 -1.853 1.00 0.00 O ATOM 1007 CB TYR A 192 -1.156 3.444 -4.805 1.00 0.00 C ATOM 1008 CG TYR A 192 0.041 4.361 -4.890 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.252 3.953 -4.304 1.00 0.00 C ATOM 1010 CD2 TYR A 192 -0.015 5.561 -5.624 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.394 4.755 -4.420 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.131 6.370 -5.727 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.334 5.964 -5.128 1.00 0.00 C ATOM 1014 OH TYR A 192 3.456 6.725 -5.255 1.00 0.00 O ATOM 0 H TYR A 192 -2.769 1.692 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.746 2.977 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.907 2.490 -5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.975 3.875 -5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.302 3.019 -3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.934 5.859 -6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.322 4.442 -3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.085 7.304 -6.267 1.00 0.00 H new ATOM 0 HH TYR A 192 4.220 6.248 -4.869 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.544 4.705 -3.200 1.00 0.00 N ATOM 1025 CA GLN A 193 -4.352 5.785 -2.661 1.00 0.00 C ATOM 1026 C GLN A 193 -4.525 5.621 -1.150 1.00 0.00 C ATOM 1027 O GLN A 193 -4.301 6.575 -0.413 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.702 5.825 -3.390 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.591 6.505 -4.760 1.00 0.00 C ATOM 1030 CD GLN A 193 -5.515 8.022 -4.643 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -6.536 8.687 -4.511 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -4.311 8.587 -4.690 1.00 0.00 N ATOM 0 H GLN A 193 -3.999 4.193 -3.956 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.848 6.737 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -6.076 4.809 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -6.430 6.358 -2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.704 6.137 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -6.452 6.232 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -3.479 8.007 -4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -4.220 9.600 -4.615 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.899 4.428 -0.678 1.00 0.00 N ATOM 1042 CA LYS A 194 -5.046 4.175 0.751 1.00 0.00 C ATOM 1043 C LYS A 194 -3.726 4.475 1.475 1.00 0.00 C ATOM 1044 O LYS A 194 -3.697 5.242 2.436 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.492 2.722 0.992 1.00 0.00 C ATOM 1046 CG LYS A 194 -7.014 2.552 1.084 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.758 2.819 -0.225 1.00 0.00 C ATOM 1048 CE LYS A 194 -9.260 2.788 0.061 1.00 0.00 C ATOM 1049 NZ LYS A 194 -10.050 2.980 -1.170 1.00 0.00 N ATOM 0 H LYS A 194 -5.105 3.623 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.815 4.834 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -5.113 2.096 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.038 2.360 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -7.235 1.537 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.397 3.226 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.470 3.787 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -7.498 2.067 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -9.524 1.835 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -9.510 3.568 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -11.064 2.953 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -9.815 3.901 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.829 2.222 -1.846 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.631 3.872 1.010 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.308 4.058 1.588 1.00 0.00 C ATOM 1065 C ALA A 195 -0.962 5.546 1.704 1.00 0.00 C ATOM 1066 O ALA A 195 -0.526 6.006 2.760 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.273 3.308 0.749 1.00 0.00 C ATOM 0 H ALA A 195 -2.642 3.235 0.213 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.301 3.648 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.717 3.448 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.516 2.246 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.281 3.695 -0.270 1.00 0.00 H new ATOM 1073 N LEU A 196 -1.172 6.305 0.625 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.913 7.732 0.627 1.00 0.00 C ATOM 1075 C LEU A 196 -1.827 8.442 1.621 1.00 0.00 C ATOM 1076 O LEU A 196 -1.355 9.234 2.432 1.00 0.00 O ATOM 1077 CB LEU A 196 -1.082 8.302 -0.786 1.00 0.00 C ATOM 1078 CG LEU A 196 0.010 7.871 -1.780 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.385 8.380 -3.169 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.391 8.433 -1.415 1.00 0.00 C ATOM 0 H LEU A 196 -1.523 5.944 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 196 0.117 7.902 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.052 7.994 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -1.093 9.390 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 196 0.086 6.784 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.375 8.087 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.345 7.949 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.467 9.467 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.125 8.099 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.351 9.522 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.679 8.077 -0.426 1.00 0.00 H new ATOM 1092 N ALA A 197 -3.128 8.150 1.576 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.122 8.744 2.462 1.00 0.00 C ATOM 1094 C ALA A 197 -3.711 8.589 3.927 1.00 0.00 C ATOM 1095 O ALA A 197 -3.744 9.560 4.679 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.504 8.138 2.197 1.00 0.00 C ATOM 0 H ALA A 197 -3.523 7.484 0.912 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.179 9.812 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.235 8.592 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.792 8.327 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.470 7.063 2.373 1.00 0.00 H new ATOM 1102 N MET A 198 -3.311 7.380 4.335 1.00 0.00 N ATOM 1103 CA MET A 198 -2.874 7.128 5.703 1.00 0.00 C ATOM 1104 C MET A 198 -1.456 7.652 5.984 1.00 0.00 C ATOM 1105 O MET A 198 -0.993 7.570 7.118 1.00 0.00 O ATOM 1106 CB MET A 198 -3.085 5.652 6.072 1.00 0.00 C ATOM 1107 CG MET A 198 -4.557 5.417 6.450 1.00 0.00 C ATOM 1108 SD MET A 198 -5.795 5.436 5.129 1.00 0.00 S ATOM 1109 CE MET A 198 -5.601 3.758 4.498 1.00 0.00 C ATOM 0 H MET A 198 -3.283 6.559 3.730 1.00 0.00 H new ATOM 0 HA MET A 198 -3.506 7.710 6.374 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.809 5.014 5.232 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.438 5.379 6.905 1.00 0.00 H new ATOM 0 HG2 MET A 198 -4.621 4.452 6.952 1.00 0.00 H new ATOM 0 HG3 MET A 198 -4.838 6.176 7.180 1.00 0.00 H new ATOM 0 HE1 MET A 198 -6.256 3.614 3.639 1.00 0.00 H new ATOM 0 HE2 MET A 198 -4.566 3.600 4.196 1.00 0.00 H new ATOM 0 HE3 MET A 198 -5.864 3.043 5.278 1.00 0.00 H new ATOM 1119 N GLY A 199 -0.780 8.235 4.990 1.00 0.00 N ATOM 1120 CA GLY A 199 0.502 8.884 5.173 1.00 0.00 C ATOM 1121 C GLY A 199 1.663 7.908 5.253 1.00 0.00 C ATOM 1122 O GLY A 199 2.601 8.138 6.016 1.00 0.00 O ATOM 0 H GLY A 199 -1.119 8.265 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.673 9.575 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 199 0.473 9.479 6.086 1.00 0.00 H new ATOM 1126 N MET A 200 1.640 6.842 4.448 1.00 0.00 N ATOM 1127 CA MET A 200 2.784 5.939 4.420 1.00 0.00 C ATOM 1128 C MET A 200 4.017 6.713 3.947 1.00 0.00 C ATOM 1129 O MET A 200 3.986 7.380 2.912 1.00 0.00 O ATOM 1130 CB MET A 200 2.539 4.714 3.535 1.00 0.00 C ATOM 1131 CG MET A 200 1.696 3.664 4.256 1.00 0.00 C ATOM 1132 SD MET A 200 1.788 2.016 3.523 1.00 0.00 S ATOM 1133 CE MET A 200 1.008 1.060 4.838 1.00 0.00 C ATOM 0 H MET A 200 0.869 6.592 3.829 1.00 0.00 H new ATOM 0 HA MET A 200 2.946 5.561 5.429 1.00 0.00 H new ATOM 0 HB2 MET A 200 2.035 5.021 2.619 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.494 4.278 3.243 1.00 0.00 H new ATOM 0 HG2 MET A 200 2.018 3.606 5.296 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.656 3.990 4.262 1.00 0.00 H new ATOM 0 HE1 MET A 200 0.914 0.020 4.525 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.619 1.114 5.739 1.00 0.00 H new ATOM 0 HE3 MET A 200 0.018 1.467 5.046 1.00 0.00 H new ATOM 1143 N LYS A 201 5.098 6.642 4.725 1.00 0.00 N ATOM 1144 CA LYS A 201 6.335 7.342 4.457 1.00 0.00 C ATOM 1145 C LYS A 201 7.014 6.841 3.179 1.00 0.00 C ATOM 1146 O LYS A 201 7.933 6.023 3.216 1.00 0.00 O ATOM 1147 CB LYS A 201 7.249 7.255 5.685 1.00 0.00 C ATOM 1148 CG LYS A 201 6.681 7.952 6.934 1.00 0.00 C ATOM 1149 CD LYS A 201 6.886 9.479 6.965 1.00 0.00 C ATOM 1150 CE LYS A 201 5.764 10.338 6.360 1.00 0.00 C ATOM 1151 NZ LYS A 201 4.446 10.052 6.955 1.00 0.00 N ATOM 0 H LYS A 201 5.129 6.081 5.576 1.00 0.00 H new ATOM 0 HA LYS A 201 6.112 8.393 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 201 7.431 6.206 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 201 8.214 7.699 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 201 5.614 7.740 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 201 7.146 7.518 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 201 7.025 9.783 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 201 7.812 9.709 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 201 6.002 11.392 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 201 5.718 10.164 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 3.866 10.915 6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 3.970 9.310 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 4.571 9.729 7.936 1.00 0.00 H new ATOM 1165 N ARG A 202 6.579 7.391 2.042 1.00 0.00 N ATOM 1166 CA ARG A 202 7.122 7.160 0.708 1.00 0.00 C ATOM 1167 C ARG A 202 8.652 7.345 0.701 1.00 0.00 C ATOM 1168 O ARG A 202 9.360 6.774 -0.125 1.00 0.00 O ATOM 1169 CB ARG A 202 6.445 8.150 -0.252 1.00 0.00 C ATOM 1170 CG ARG A 202 6.552 7.724 -1.719 1.00 0.00 C ATOM 1171 CD ARG A 202 5.904 8.783 -2.621 1.00 0.00 C ATOM 1172 NE ARG A 202 5.543 8.250 -3.942 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.371 8.062 -4.981 1.00 0.00 C ATOM 1174 NH1 ARG A 202 7.686 8.254 -4.855 1.00 0.00 N ATOM 1175 NH2 ARG A 202 5.850 7.679 -6.151 1.00 0.00 N ATOM 0 H ARG A 202 5.796 8.044 2.031 1.00 0.00 H new ATOM 0 HA ARG A 202 6.922 6.136 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.393 8.248 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.898 9.134 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 202 7.599 7.592 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.061 6.762 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 202 5.011 9.174 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 202 6.591 9.620 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 202 4.565 7.998 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 202 8.075 8.548 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 202 8.302 8.107 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 202 4.844 7.536 -6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 202 6.459 7.530 -6.956 1.00 0.00 H new ATOM 1189 N GLU A 203 9.165 8.156 1.629 1.00 0.00 N ATOM 1190 CA GLU A 203 10.577 8.423 1.811 1.00 0.00 C ATOM 1191 C GLU A 203 11.256 7.211 2.458 1.00 0.00 C ATOM 1192 O GLU A 203 12.306 6.769 1.999 1.00 0.00 O ATOM 1193 CB GLU A 203 10.758 9.667 2.699 1.00 0.00 C ATOM 1194 CG GLU A 203 10.016 10.920 2.196 1.00 0.00 C ATOM 1195 CD GLU A 203 8.516 10.952 2.505 1.00 0.00 C ATOM 1196 OE1 GLU A 203 8.054 10.066 3.262 1.00 0.00 O ATOM 1197 OE2 GLU A 203 7.849 11.856 1.960 1.00 0.00 O ATOM 0 H GLU A 203 8.579 8.659 2.295 1.00 0.00 H new ATOM 0 HA GLU A 203 11.037 8.608 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.411 9.434 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.821 9.894 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.481 11.801 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 203 10.151 10.995 1.117 1.00 0.00 H new ATOM 1204 N ALA A 204 10.646 6.656 3.514 1.00 0.00 N ATOM 1205 CA ALA A 204 11.183 5.516 4.250 1.00 0.00 C ATOM 1206 C ALA A 204 11.393 4.331 3.315 1.00 0.00 C ATOM 1207 O ALA A 204 12.415 3.656 3.387 1.00 0.00 O ATOM 1208 CB ALA A 204 10.268 5.153 5.422 1.00 0.00 C ATOM 0 H ALA A 204 9.756 6.994 3.881 1.00 0.00 H new ATOM 0 HA ALA A 204 12.154 5.790 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.685 4.301 5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.188 6.004 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.278 4.895 5.045 1.00 0.00 H new ATOM 1214 N VAL A 205 10.443 4.107 2.404 1.00 0.00 N ATOM 1215 CA VAL A 205 10.563 3.073 1.380 1.00 0.00 C ATOM 1216 C VAL A 205 11.926 3.137 0.689 1.00 0.00 C ATOM 1217 O VAL A 205 12.519 2.113 0.358 1.00 0.00 O ATOM 1218 CB VAL A 205 9.471 3.293 0.322 1.00 0.00 C ATOM 1219 CG1 VAL A 205 9.816 2.610 -1.006 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.109 2.832 0.836 1.00 0.00 C ATOM 0 H VAL A 205 9.573 4.637 2.357 1.00 0.00 H new ATOM 0 HA VAL A 205 10.456 2.100 1.859 1.00 0.00 H new ATOM 0 HB VAL A 205 9.418 4.365 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.018 2.790 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 205 10.751 3.016 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 205 9.925 1.537 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 205 7.354 2.999 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.152 1.770 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 205 7.847 3.397 1.730 1.00 0.00 H new ATOM 1230 N GLN A 206 12.387 4.358 0.433 1.00 0.00 N ATOM 1231 CA GLN A 206 13.610 4.643 -0.287 1.00 0.00 C ATOM 1232 C GLN A 206 14.808 4.772 0.655 1.00 0.00 C ATOM 1233 O GLN A 206 15.813 5.357 0.257 1.00 0.00 O ATOM 1234 CB GLN A 206 13.370 5.911 -1.118 1.00 0.00 C ATOM 1235 CG GLN A 206 12.183 5.725 -2.077 1.00 0.00 C ATOM 1236 CD GLN A 206 11.854 7.023 -2.796 1.00 0.00 C ATOM 1237 OE1 GLN A 206 12.465 7.340 -3.812 1.00 0.00 O ATOM 1238 NE2 GLN A 206 10.884 7.777 -2.292 1.00 0.00 N ATOM 0 H GLN A 206 11.898 5.201 0.734 1.00 0.00 H new ATOM 0 HA GLN A 206 13.863 3.816 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 206 13.177 6.754 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 206 14.268 6.152 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.419 4.951 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 206 11.311 5.383 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 206 10.397 7.483 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 206 10.626 8.650 -2.751 1.00 0.00 H new ATOM 1247 N GLU A 207 14.740 4.221 1.877 1.00 0.00 N ATOM 1248 CA GLU A 207 15.845 4.296 2.832 1.00 0.00 C ATOM 1249 C GLU A 207 17.164 3.821 2.219 1.00 0.00 C ATOM 1250 O GLU A 207 18.219 4.380 2.505 1.00 0.00 O ATOM 1251 CB GLU A 207 15.525 3.585 4.160 1.00 0.00 C ATOM 1252 CG GLU A 207 15.543 2.045 4.170 1.00 0.00 C ATOM 1253 CD GLU A 207 14.495 1.401 3.269 1.00 0.00 C ATOM 1254 OE1 GLU A 207 14.734 1.417 2.042 1.00 0.00 O ATOM 1255 OE2 GLU A 207 13.501 0.879 3.814 1.00 0.00 O ATOM 0 H GLU A 207 13.924 3.717 2.224 1.00 0.00 H new ATOM 0 HA GLU A 207 15.975 5.350 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 207 16.238 3.934 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.537 3.911 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.531 1.703 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 207 15.390 1.698 5.192 1.00 0.00 H new