USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 175 LYS NZ :NH3+ 180:sc= 0.645 (180deg=-0.0354) USER MOD Set 1.2: A 189 TYR OH : rot -31:sc= 1.84 USER MOD Set 1.3: A 193 GLN : amide:sc= 0.773 K(o=3.3,f=1.5) USER MOD Set 2.1: A 171 CYS SG : rot -61:sc= 1.23 USER MOD Set 2.2: A 177 CYS SG : rot -166:sc= 0.312 USER MOD Set 2.3: A 187 CYS SG : rot 45:sc= -0.67 USER MOD Set 2.4: A 190 CYS SG : rot 119:sc= -0.214 USER MOD Set 3.1: A 162 THR OG1 : rot 81:sc= 2.11 USER MOD Set 3.2: A 169 TYR OH : rot 168:sc= 1.16 USER MOD Set 4.1: A 135 CYS SG : rot 21:sc= 1 USER MOD Set 4.2: A 138 CYS SG : rot -37:sc= 0.501 USER MOD Set 4.3: A 151 SER OG : rot 29:sc= 1.68 USER MOD Set 4.4: A 152 CYS SG : rot -63:sc= 0.402 USER MOD Set 4.5: A 155 CYS SG : rot 157:sc= 0.279 USER MOD Set 4.6: A 200 MET CE :methyl 176:sc= -0.121 (180deg=-0.131) USER MOD Set 5.1: A 133 HIS : no HE2:sc= -0.955 X(o=-0.95,f=-1.1) USER MOD Set 5.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 90:sc= 0.931 USER MOD Single : A 143 SER OG : rot -100:sc= 0.0183 USER MOD Single : A 145 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0534) USER MOD Single : A 146 HIS : no HE2:sc= -0.66 K(o=-0.66,f=-5!) USER MOD Single : A 147 TYR OH : rot 170:sc= 0.98 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0365) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0.00704 USER MOD Single : A 170 THR OG1 : rot 11:sc= 0.661 USER MOD Single : A 174 ASN : amide:sc= 1 K(o=1,f=-0.0033) USER MOD Single : A 188 GLN : amide:sc= 1.25 K(o=1.3,f=-8.9!) USER MOD Single : A 192 TYR OH : rot 168:sc= 1.13 USER MOD Single : A 194 LYS NZ :NH3+ 175:sc= 0.0836 (180deg=0.0051) USER MOD Single : A 198 MET CE :methyl -149:sc= -0.962 (180deg=-2.79) USER MOD Single : A 201 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0134) USER MOD Single : A 206 GLN : amide:sc= 1.47 K(o=1.5,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -1.928 -5.188 14.905 1.00 0.00 N ATOM 58 CA HIS A 133 -3.080 -4.464 14.381 1.00 0.00 C ATOM 59 C HIS A 133 -3.408 -4.990 12.982 1.00 0.00 C ATOM 60 O HIS A 133 -2.573 -5.633 12.342 1.00 0.00 O ATOM 61 CB HIS A 133 -2.747 -2.968 14.285 1.00 0.00 C ATOM 62 CG HIS A 133 -2.558 -2.259 15.603 1.00 0.00 C ATOM 63 ND1 HIS A 133 -1.798 -2.690 16.668 1.00 0.00 N ATOM 64 CD2 HIS A 133 -3.027 -1.010 15.913 1.00 0.00 C ATOM 65 CE1 HIS A 133 -1.838 -1.732 17.609 1.00 0.00 C ATOM 66 NE2 HIS A 133 -2.568 -0.685 17.193 1.00 0.00 N ATOM 0 HA HIS A 133 -3.932 -4.608 15.045 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.837 -2.853 13.697 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.546 -2.470 13.736 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.296 -3.576 16.731 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -3.642 -0.387 15.281 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.349 -1.796 18.570 1.00 0.00 H new ATOM 74 N ILE A 134 -4.592 -4.666 12.461 1.00 0.00 N ATOM 75 CA ILE A 134 -4.912 -4.995 11.080 1.00 0.00 C ATOM 76 C ILE A 134 -4.158 -4.023 10.175 1.00 0.00 C ATOM 77 O ILE A 134 -3.934 -2.867 10.531 1.00 0.00 O ATOM 78 CB ILE A 134 -6.423 -4.982 10.798 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.142 -3.777 11.428 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.023 -6.321 11.233 1.00 0.00 C ATOM 81 CD1 ILE A 134 -8.536 -3.565 10.830 1.00 0.00 C ATOM 0 H ILE A 134 -5.333 -4.183 12.969 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.596 -6.018 10.877 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.574 -4.860 9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.228 -3.928 12.504 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -6.543 -2.879 11.279 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.095 -6.320 11.036 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.552 -7.130 10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.850 -6.468 12.299 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -9.008 -2.704 11.303 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.449 -3.387 9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -9.145 -4.453 11.002 1.00 0.00 H new ATOM 93 N CYS A 135 -3.738 -4.517 9.014 1.00 0.00 N ATOM 94 CA CYS A 135 -2.981 -3.774 8.037 1.00 0.00 C ATOM 95 C CYS A 135 -3.842 -2.642 7.509 1.00 0.00 C ATOM 96 O CYS A 135 -4.894 -2.903 6.930 1.00 0.00 O ATOM 97 CB CYS A 135 -2.553 -4.705 6.896 1.00 0.00 C ATOM 98 SG CYS A 135 -1.640 -3.880 5.572 1.00 0.00 S ATOM 0 H CYS A 135 -3.926 -5.478 8.727 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.083 -3.359 8.495 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -1.935 -5.504 7.306 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.441 -5.175 6.472 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.139 -2.767 6.019 1.00 0.00 H new ATOM 103 N ALA A 136 -3.382 -1.403 7.693 1.00 0.00 N ATOM 104 CA ALA A 136 -4.072 -0.199 7.255 1.00 0.00 C ATOM 105 C ALA A 136 -4.654 -0.340 5.845 1.00 0.00 C ATOM 106 O ALA A 136 -5.755 0.129 5.567 1.00 0.00 O ATOM 107 CB ALA A 136 -3.084 0.966 7.326 1.00 0.00 C ATOM 0 H ALA A 136 -2.497 -1.210 8.163 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.922 -0.018 7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.578 1.882 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.735 1.085 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.234 0.762 6.675 1.00 0.00 H new ATOM 113 N ILE A 137 -3.885 -0.964 4.949 1.00 0.00 N ATOM 114 CA ILE A 137 -4.275 -1.146 3.562 1.00 0.00 C ATOM 115 C ILE A 137 -5.227 -2.340 3.414 1.00 0.00 C ATOM 116 O ILE A 137 -6.424 -2.138 3.243 1.00 0.00 O ATOM 117 CB ILE A 137 -3.030 -1.230 2.658 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.156 0.032 2.800 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.446 -1.375 1.185 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.706 -0.263 2.437 1.00 0.00 C ATOM 0 H ILE A 137 -2.971 -1.357 5.174 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.837 -0.274 3.227 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.457 -2.103 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.543 0.821 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.210 0.403 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.555 -1.433 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.036 -2.283 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.042 -0.512 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.112 0.644 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.315 -1.035 3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.653 -0.610 1.405 1.00 0.00 H new ATOM 132 N CYS A 138 -4.703 -3.574 3.414 1.00 0.00 N ATOM 133 CA CYS A 138 -5.486 -4.774 3.118 1.00 0.00 C ATOM 134 C CYS A 138 -6.342 -5.338 4.259 1.00 0.00 C ATOM 135 O CYS A 138 -7.222 -6.154 3.993 1.00 0.00 O ATOM 136 CB CYS A 138 -4.602 -5.853 2.481 1.00 0.00 C ATOM 137 SG CYS A 138 -3.239 -6.503 3.471 1.00 0.00 S ATOM 0 H CYS A 138 -3.722 -3.764 3.620 1.00 0.00 H new ATOM 0 HA CYS A 138 -6.234 -4.435 2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -5.242 -6.689 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -4.185 -5.446 1.560 1.00 0.00 H new ATOM 0 HG CYS A 138 -2.721 -5.544 4.180 1.00 0.00 H new ATOM 142 N GLY A 139 -6.123 -4.938 5.513 1.00 0.00 N ATOM 143 CA GLY A 139 -6.913 -5.435 6.633 1.00 0.00 C ATOM 144 C GLY A 139 -6.453 -6.800 7.157 1.00 0.00 C ATOM 145 O GLY A 139 -7.058 -7.329 8.084 1.00 0.00 O ATOM 0 H GLY A 139 -5.400 -4.268 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -6.869 -4.711 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -7.956 -5.507 6.326 1.00 0.00 H new ATOM 149 N ASP A 140 -5.377 -7.373 6.605 1.00 0.00 N ATOM 150 CA ASP A 140 -4.814 -8.637 7.070 1.00 0.00 C ATOM 151 C ASP A 140 -3.972 -8.345 8.312 1.00 0.00 C ATOM 152 O ASP A 140 -3.649 -7.190 8.561 1.00 0.00 O ATOM 153 CB ASP A 140 -3.946 -9.255 5.967 1.00 0.00 C ATOM 154 CG ASP A 140 -4.779 -9.797 4.810 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.312 -8.965 4.044 1.00 0.00 O ATOM 156 OD2 ASP A 140 -4.877 -11.039 4.716 1.00 0.00 O ATOM 0 H ASP A 140 -4.872 -6.966 5.818 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.606 -9.345 7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.251 -8.504 5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.346 -10.061 6.389 1.00 0.00 H new ATOM 161 N ARG A 141 -3.594 -9.350 9.104 1.00 0.00 N ATOM 162 CA ARG A 141 -2.787 -9.091 10.292 1.00 0.00 C ATOM 163 C ARG A 141 -1.467 -8.405 9.906 1.00 0.00 C ATOM 164 O ARG A 141 -0.732 -8.916 9.063 1.00 0.00 O ATOM 165 CB ARG A 141 -2.534 -10.395 11.058 1.00 0.00 C ATOM 166 CG ARG A 141 -1.883 -10.088 12.413 1.00 0.00 C ATOM 167 CD ARG A 141 -1.646 -11.351 13.241 1.00 0.00 C ATOM 168 NE ARG A 141 -0.592 -12.194 12.660 1.00 0.00 N ATOM 169 CZ ARG A 141 0.208 -13.032 13.338 1.00 0.00 C ATOM 170 NH1 ARG A 141 0.176 -13.114 14.675 1.00 0.00 N ATOM 171 NH2 ARG A 141 1.062 -13.800 12.653 1.00 0.00 N ATOM 0 H ARG A 141 -3.829 -10.330 8.948 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.334 -8.415 10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.474 -10.926 11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.887 -11.050 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.933 -9.579 12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.520 -9.403 12.973 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.370 -11.072 14.258 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -2.572 -11.921 13.307 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.456 -12.137 11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.469 -12.530 15.207 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.797 -13.761 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.096 -13.742 11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.679 -14.444 13.148 1.00 0.00 H new ATOM 185 N SER A 142 -1.165 -7.254 10.515 1.00 0.00 N ATOM 186 CA SER A 142 0.073 -6.537 10.240 1.00 0.00 C ATOM 187 C SER A 142 1.281 -7.346 10.698 1.00 0.00 C ATOM 188 O SER A 142 1.216 -8.099 11.669 1.00 0.00 O ATOM 189 CB SER A 142 0.088 -5.190 10.971 1.00 0.00 C ATOM 190 OG SER A 142 -0.977 -4.382 10.535 1.00 0.00 O ATOM 0 H SER A 142 -1.767 -6.802 11.203 1.00 0.00 H new ATOM 0 HA SER A 142 0.126 -6.376 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.013 -5.352 12.046 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.035 -4.682 10.791 1.00 0.00 H new ATOM 0 HG SER A 142 -1.765 -4.550 11.093 1.00 0.00 H new ATOM 196 N SER A 143 2.412 -7.106 10.042 1.00 0.00 N ATOM 197 CA SER A 143 3.698 -7.649 10.424 1.00 0.00 C ATOM 198 C SER A 143 4.264 -6.703 11.485 1.00 0.00 C ATOM 199 O SER A 143 4.834 -7.154 12.473 1.00 0.00 O ATOM 200 CB SER A 143 4.619 -7.766 9.205 1.00 0.00 C ATOM 201 OG SER A 143 3.993 -8.519 8.176 1.00 0.00 O ATOM 0 H SER A 143 2.454 -6.514 9.212 1.00 0.00 H new ATOM 0 HA SER A 143 3.607 -8.658 10.827 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.869 -6.772 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 143 5.555 -8.243 9.494 1.00 0.00 H new ATOM 0 HG SER A 143 4.336 -9.437 8.188 1.00 0.00 H new ATOM 207 N GLY A 144 4.074 -5.390 11.298 1.00 0.00 N ATOM 208 CA GLY A 144 4.517 -4.401 12.262 1.00 0.00 C ATOM 209 C GLY A 144 4.196 -2.993 11.774 1.00 0.00 C ATOM 210 O GLY A 144 3.405 -2.808 10.846 1.00 0.00 O ATOM 0 H GLY A 144 3.612 -4.996 10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.032 -4.578 13.222 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.590 -4.499 12.425 1.00 0.00 H new ATOM 214 N LYS A 145 4.836 -2.000 12.395 1.00 0.00 N ATOM 215 CA LYS A 145 4.706 -0.609 11.999 1.00 0.00 C ATOM 216 C LYS A 145 5.609 -0.429 10.780 1.00 0.00 C ATOM 217 O LYS A 145 6.781 -0.808 10.819 1.00 0.00 O ATOM 218 CB LYS A 145 5.113 0.307 13.164 1.00 0.00 C ATOM 219 CG LYS A 145 4.412 1.671 13.100 1.00 0.00 C ATOM 220 CD LYS A 145 3.006 1.582 13.718 1.00 0.00 C ATOM 221 CE LYS A 145 2.190 2.862 13.511 1.00 0.00 C ATOM 222 NZ LYS A 145 2.881 4.060 14.015 1.00 0.00 N ATOM 0 H LYS A 145 5.460 -2.146 13.189 1.00 0.00 H new ATOM 0 HA LYS A 145 3.679 -0.344 11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 145 4.871 -0.180 14.109 1.00 0.00 H new ATOM 0 HB3 LYS A 145 6.193 0.454 13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 145 5.003 2.416 13.632 1.00 0.00 H new ATOM 0 HG3 LYS A 145 4.340 2.002 12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.472 0.740 13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 145 3.094 1.380 14.786 1.00 0.00 H new ATOM 0 HE2 LYS A 145 1.981 2.987 12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 145 1.229 2.762 14.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 2.242 4.878 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 3.164 3.907 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.727 4.242 13.437 1.00 0.00 H new ATOM 236 N HIS A 146 5.070 0.082 9.675 1.00 0.00 N ATOM 237 CA HIS A 146 5.781 0.256 8.422 1.00 0.00 C ATOM 238 C HIS A 146 5.527 1.673 7.927 1.00 0.00 C ATOM 239 O HIS A 146 4.381 2.061 7.712 1.00 0.00 O ATOM 240 CB HIS A 146 5.274 -0.767 7.403 1.00 0.00 C ATOM 241 CG HIS A 146 5.467 -2.206 7.813 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.305 -2.679 8.799 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.835 -3.286 7.260 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.178 -4.016 8.831 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.304 -4.433 7.901 1.00 0.00 N ATOM 0 H HIS A 146 4.100 0.393 9.631 1.00 0.00 H new ATOM 0 HA HIS A 146 6.851 0.102 8.560 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.213 -0.591 7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.785 -0.601 6.455 1.00 0.00 H new ATOM 0 HD1 HIS A 146 6.911 -2.117 9.396 1.00 0.00 H new ATOM 0 HD2 HIS A 146 4.102 -3.256 6.467 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.707 -4.667 9.512 1.00 0.00 H new ATOM 253 N TYR A 147 6.595 2.456 7.769 1.00 0.00 N ATOM 254 CA TYR A 147 6.515 3.829 7.284 1.00 0.00 C ATOM 255 C TYR A 147 5.514 4.655 8.107 1.00 0.00 C ATOM 256 O TYR A 147 4.819 5.517 7.571 1.00 0.00 O ATOM 257 CB TYR A 147 6.174 3.828 5.785 1.00 0.00 C ATOM 258 CG TYR A 147 6.812 2.721 4.959 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.179 2.414 5.091 1.00 0.00 C ATOM 260 CD2 TYR A 147 6.016 1.963 4.082 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.771 1.447 4.260 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.595 0.946 3.307 1.00 0.00 C ATOM 263 CZ TYR A 147 7.981 0.737 3.343 1.00 0.00 C ATOM 264 OH TYR A 147 8.557 -0.171 2.510 1.00 0.00 O ATOM 0 H TYR A 147 7.546 2.150 7.976 1.00 0.00 H new ATOM 0 HA TYR A 147 7.485 4.309 7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 147 5.092 3.756 5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.473 4.788 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.775 2.923 5.833 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.958 2.164 4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.831 1.251 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.972 0.323 2.682 1.00 0.00 H new ATOM 0 HH TYR A 147 7.859 -0.682 2.050 1.00 0.00 H new ATOM 274 N GLY A 148 5.447 4.379 9.415 1.00 0.00 N ATOM 275 CA GLY A 148 4.569 5.062 10.352 1.00 0.00 C ATOM 276 C GLY A 148 3.128 4.541 10.365 1.00 0.00 C ATOM 277 O GLY A 148 2.296 5.133 11.048 1.00 0.00 O ATOM 0 H GLY A 148 6.018 3.657 9.854 1.00 0.00 H new ATOM 0 HA2 GLY A 148 4.985 4.969 11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.556 6.125 10.110 1.00 0.00 H new ATOM 281 N VAL A 149 2.810 3.458 9.644 1.00 0.00 N ATOM 282 CA VAL A 149 1.460 2.901 9.565 1.00 0.00 C ATOM 283 C VAL A 149 1.504 1.386 9.815 1.00 0.00 C ATOM 284 O VAL A 149 2.386 0.705 9.302 1.00 0.00 O ATOM 285 CB VAL A 149 0.883 3.234 8.179 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.505 2.627 7.982 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.802 4.750 7.942 1.00 0.00 C ATOM 0 H VAL A 149 3.494 2.940 9.093 1.00 0.00 H new ATOM 0 HA VAL A 149 0.816 3.335 10.330 1.00 0.00 H new ATOM 0 HB VAL A 149 1.570 2.797 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.878 2.885 6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.445 1.543 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.184 3.019 8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.389 4.942 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.159 5.202 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.800 5.183 8.009 1.00 0.00 H new ATOM 297 N TYR A 150 0.563 0.832 10.590 1.00 0.00 N ATOM 298 CA TYR A 150 0.509 -0.610 10.830 1.00 0.00 C ATOM 299 C TYR A 150 0.239 -1.331 9.508 1.00 0.00 C ATOM 300 O TYR A 150 -0.762 -1.040 8.850 1.00 0.00 O ATOM 301 CB TYR A 150 -0.587 -0.950 11.847 1.00 0.00 C ATOM 302 CG TYR A 150 -0.266 -0.545 13.273 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.638 -1.313 14.030 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.905 0.562 13.862 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.954 -0.936 15.346 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.582 0.943 15.176 1.00 0.00 C ATOM 307 CZ TYR A 150 0.339 0.187 15.921 1.00 0.00 C ATOM 308 OH TYR A 150 0.595 0.501 17.220 1.00 0.00 O ATOM 0 H TYR A 150 -0.170 1.363 11.060 1.00 0.00 H new ATOM 0 HA TYR A 150 1.465 -0.938 11.238 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.512 -0.461 11.543 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.770 -2.024 11.820 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.090 -2.194 13.599 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -1.644 1.119 13.304 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.670 -1.510 15.915 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -1.042 1.817 15.613 1.00 0.00 H new ATOM 0 HH TYR A 150 0.093 1.306 17.467 1.00 0.00 H new ATOM 318 N SER A 151 1.123 -2.249 9.098 1.00 0.00 N ATOM 319 CA SER A 151 0.965 -2.972 7.844 1.00 0.00 C ATOM 320 C SER A 151 1.751 -4.283 7.838 1.00 0.00 C ATOM 321 O SER A 151 2.433 -4.620 8.807 1.00 0.00 O ATOM 322 CB SER A 151 1.306 -2.047 6.663 1.00 0.00 C ATOM 323 OG SER A 151 0.168 -1.283 6.312 1.00 0.00 O ATOM 0 H SER A 151 1.958 -2.505 9.625 1.00 0.00 H new ATOM 0 HA SER A 151 -0.078 -3.269 7.733 1.00 0.00 H new ATOM 0 HB2 SER A 151 2.130 -1.387 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 151 1.637 -2.638 5.809 1.00 0.00 H new ATOM 0 HG SER A 151 -0.395 -1.152 7.103 1.00 0.00 H new ATOM 329 N CYS A 152 1.614 -5.041 6.745 1.00 0.00 N ATOM 330 CA CYS A 152 2.262 -6.327 6.543 1.00 0.00 C ATOM 331 C CYS A 152 3.404 -6.215 5.532 1.00 0.00 C ATOM 332 O CYS A 152 3.373 -5.343 4.660 1.00 0.00 O ATOM 333 CB CYS A 152 1.229 -7.380 6.128 1.00 0.00 C ATOM 334 SG CYS A 152 0.273 -6.998 4.640 1.00 0.00 S ATOM 0 H CYS A 152 1.030 -4.762 5.957 1.00 0.00 H new ATOM 0 HA CYS A 152 2.705 -6.648 7.485 1.00 0.00 H new ATOM 0 HB2 CYS A 152 1.745 -8.327 5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 152 0.535 -7.527 6.956 1.00 0.00 H new ATOM 0 HG CYS A 152 -0.438 -5.929 4.843 1.00 0.00 H new ATOM 339 N GLU A 153 4.404 -7.100 5.645 1.00 0.00 N ATOM 340 CA GLU A 153 5.576 -7.105 4.768 1.00 0.00 C ATOM 341 C GLU A 153 5.210 -7.020 3.280 1.00 0.00 C ATOM 342 O GLU A 153 5.875 -6.319 2.523 1.00 0.00 O ATOM 343 CB GLU A 153 6.465 -8.334 5.012 1.00 0.00 C ATOM 344 CG GLU A 153 7.023 -8.454 6.439 1.00 0.00 C ATOM 345 CD GLU A 153 7.739 -7.198 6.931 1.00 0.00 C ATOM 346 OE1 GLU A 153 8.491 -6.610 6.123 1.00 0.00 O ATOM 347 OE2 GLU A 153 7.530 -6.854 8.115 1.00 0.00 O ATOM 0 H GLU A 153 4.420 -7.835 6.352 1.00 0.00 H new ATOM 0 HA GLU A 153 6.135 -6.205 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 153 5.890 -9.232 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 153 7.300 -8.305 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 153 6.204 -8.684 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 153 7.716 -9.294 6.478 1.00 0.00 H new ATOM 354 N GLY A 154 4.161 -7.727 2.851 1.00 0.00 N ATOM 355 CA GLY A 154 3.727 -7.695 1.459 1.00 0.00 C ATOM 356 C GLY A 154 3.452 -6.257 1.015 1.00 0.00 C ATOM 357 O GLY A 154 4.013 -5.771 0.032 1.00 0.00 O ATOM 0 H GLY A 154 3.598 -8.329 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 154 4.494 -8.138 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 154 2.826 -8.297 1.339 1.00 0.00 H new ATOM 361 N CYS A 155 2.607 -5.557 1.777 1.00 0.00 N ATOM 362 CA CYS A 155 2.276 -4.167 1.520 1.00 0.00 C ATOM 363 C CYS A 155 3.530 -3.299 1.628 1.00 0.00 C ATOM 364 O CYS A 155 3.742 -2.422 0.794 1.00 0.00 O ATOM 365 CB CYS A 155 1.177 -3.712 2.476 1.00 0.00 C ATOM 366 SG CYS A 155 -0.460 -4.376 2.066 1.00 0.00 S ATOM 0 H CYS A 155 2.135 -5.948 2.592 1.00 0.00 H new ATOM 0 HA CYS A 155 1.895 -4.061 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.440 -4.015 3.489 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.130 -2.623 2.471 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.212 -4.363 3.127 1.00 0.00 H new ATOM 371 N LYS A 156 4.364 -3.555 2.641 1.00 0.00 N ATOM 372 CA LYS A 156 5.616 -2.838 2.846 1.00 0.00 C ATOM 373 C LYS A 156 6.454 -2.846 1.563 1.00 0.00 C ATOM 374 O LYS A 156 6.822 -1.790 1.043 1.00 0.00 O ATOM 375 CB LYS A 156 6.397 -3.475 4.004 1.00 0.00 C ATOM 376 CG LYS A 156 7.515 -2.562 4.508 1.00 0.00 C ATOM 377 CD LYS A 156 8.284 -3.266 5.624 1.00 0.00 C ATOM 378 CE LYS A 156 9.254 -2.289 6.292 1.00 0.00 C ATOM 379 NZ LYS A 156 10.119 -2.976 7.266 1.00 0.00 N ATOM 0 H LYS A 156 4.183 -4.272 3.344 1.00 0.00 H new ATOM 0 HA LYS A 156 5.393 -1.802 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.714 -3.698 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.823 -4.423 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 156 8.190 -2.310 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 156 7.096 -1.625 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.587 -3.661 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 156 8.833 -4.115 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 156 9.869 -1.807 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 156 8.692 -1.501 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.765 -2.288 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 9.531 -3.415 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 10.672 -3.711 6.781 1.00 0.00 H new ATOM 393 N GLY A 157 6.757 -4.052 1.075 1.00 0.00 N ATOM 394 CA GLY A 157 7.563 -4.291 -0.108 1.00 0.00 C ATOM 395 C GLY A 157 6.911 -3.709 -1.356 1.00 0.00 C ATOM 396 O GLY A 157 7.585 -3.052 -2.156 1.00 0.00 O ATOM 0 H GLY A 157 6.433 -4.914 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.550 -3.849 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.709 -5.363 -0.239 1.00 0.00 H new ATOM 400 N PHE A 158 5.606 -3.958 -1.513 1.00 0.00 N ATOM 401 CA PHE A 158 4.812 -3.445 -2.621 1.00 0.00 C ATOM 402 C PHE A 158 4.973 -1.928 -2.689 1.00 0.00 C ATOM 403 O PHE A 158 5.348 -1.390 -3.729 1.00 0.00 O ATOM 404 CB PHE A 158 3.341 -3.841 -2.431 1.00 0.00 C ATOM 405 CG PHE A 158 2.352 -3.043 -3.261 1.00 0.00 C ATOM 406 CD1 PHE A 158 2.166 -3.341 -4.624 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.666 -1.956 -2.682 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.285 -2.566 -5.399 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.811 -1.163 -3.467 1.00 0.00 C ATOM 410 CZ PHE A 158 0.622 -1.468 -4.824 1.00 0.00 C ATOM 0 H PHE A 158 5.070 -4.531 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 158 5.157 -3.874 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 158 3.230 -4.897 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 158 3.083 -3.729 -1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.700 -4.165 -5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.798 -1.732 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.118 -2.815 -6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.300 -0.320 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.034 -0.858 -5.427 1.00 0.00 H new ATOM 420 N PHE A 159 4.703 -1.243 -1.576 1.00 0.00 N ATOM 421 CA PHE A 159 4.820 0.203 -1.487 1.00 0.00 C ATOM 422 C PHE A 159 6.248 0.627 -1.814 1.00 0.00 C ATOM 423 O PHE A 159 6.437 1.523 -2.627 1.00 0.00 O ATOM 424 CB PHE A 159 4.397 0.688 -0.099 1.00 0.00 C ATOM 425 CG PHE A 159 4.434 2.196 0.074 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.360 2.981 -0.386 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.514 2.819 0.729 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.322 4.360 -0.108 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.432 4.174 1.087 1.00 0.00 C ATOM 430 CZ PHE A 159 4.339 4.949 0.663 1.00 0.00 C ATOM 0 H PHE A 159 4.396 -1.684 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 159 4.152 0.664 -2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.386 0.335 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 159 5.049 0.232 0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.563 2.524 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.406 2.254 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.512 4.965 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 159 6.209 4.621 1.689 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.281 5.994 0.929 1.00 0.00 H new ATOM 440 N LYS A 160 7.250 -0.013 -1.199 1.00 0.00 N ATOM 441 CA LYS A 160 8.651 0.314 -1.433 1.00 0.00 C ATOM 442 C LYS A 160 8.974 0.360 -2.933 1.00 0.00 C ATOM 443 O LYS A 160 9.480 1.359 -3.447 1.00 0.00 O ATOM 444 CB LYS A 160 9.544 -0.683 -0.670 1.00 0.00 C ATOM 445 CG LYS A 160 10.848 -0.035 -0.195 1.00 0.00 C ATOM 446 CD LYS A 160 11.607 -0.884 0.827 1.00 0.00 C ATOM 447 CE LYS A 160 11.763 -2.346 0.389 1.00 0.00 C ATOM 448 NZ LYS A 160 12.743 -3.056 1.229 1.00 0.00 N ATOM 0 H LYS A 160 7.107 -0.768 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 160 8.854 1.314 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.999 -1.074 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.774 -1.531 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.491 0.146 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.624 0.937 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.594 -0.451 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 160 11.082 -0.850 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.798 -2.850 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.080 -2.384 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.826 -4.042 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.669 -2.588 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.427 -3.040 2.220 1.00 0.00 H new ATOM 462 N ARG A 161 8.662 -0.728 -3.637 1.00 0.00 N ATOM 463 CA ARG A 161 8.901 -0.832 -5.068 1.00 0.00 C ATOM 464 C ARG A 161 8.062 0.192 -5.829 1.00 0.00 C ATOM 465 O ARG A 161 8.585 0.931 -6.664 1.00 0.00 O ATOM 466 CB ARG A 161 8.569 -2.257 -5.516 1.00 0.00 C ATOM 467 CG ARG A 161 9.604 -3.246 -4.972 1.00 0.00 C ATOM 468 CD ARG A 161 9.033 -4.668 -4.961 1.00 0.00 C ATOM 469 NE ARG A 161 10.001 -5.628 -4.417 1.00 0.00 N ATOM 470 CZ ARG A 161 10.342 -5.730 -3.123 1.00 0.00 C ATOM 471 NH1 ARG A 161 9.805 -4.914 -2.208 1.00 0.00 N ATOM 472 NH2 ARG A 161 11.230 -6.656 -2.750 1.00 0.00 N ATOM 0 H ARG A 161 8.237 -1.560 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 161 9.948 -0.619 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 161 7.575 -2.532 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 161 8.547 -2.306 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 161 10.504 -3.214 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 161 9.896 -2.957 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 161 8.121 -4.691 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 161 8.759 -4.960 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 161 10.449 -6.267 -5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 161 9.129 -4.205 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 161 10.072 -5.001 -1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 161 11.642 -7.277 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 161 11.496 -6.742 -1.769 1.00 0.00 H new ATOM 486 N THR A 162 6.759 0.227 -5.540 1.00 0.00 N ATOM 487 CA THR A 162 5.823 1.129 -6.188 1.00 0.00 C ATOM 488 C THR A 162 6.300 2.575 -6.101 1.00 0.00 C ATOM 489 O THR A 162 6.289 3.263 -7.108 1.00 0.00 O ATOM 490 CB THR A 162 4.414 0.962 -5.605 1.00 0.00 C ATOM 491 OG1 THR A 162 3.957 -0.357 -5.842 1.00 0.00 O ATOM 492 CG2 THR A 162 3.435 1.942 -6.253 1.00 0.00 C ATOM 0 H THR A 162 6.327 -0.378 -4.842 1.00 0.00 H new ATOM 0 HA THR A 162 5.777 0.868 -7.245 1.00 0.00 H new ATOM 0 HB THR A 162 4.463 1.162 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.341 -0.961 -5.173 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.443 1.804 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.770 2.964 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.393 1.758 -7.327 1.00 0.00 H new ATOM 500 N VAL A 163 6.710 3.055 -4.930 1.00 0.00 N ATOM 501 CA VAL A 163 7.178 4.423 -4.767 1.00 0.00 C ATOM 502 C VAL A 163 8.369 4.686 -5.690 1.00 0.00 C ATOM 503 O VAL A 163 8.362 5.653 -6.447 1.00 0.00 O ATOM 504 CB VAL A 163 7.517 4.664 -3.286 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.404 5.895 -3.061 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.228 4.839 -2.472 1.00 0.00 C ATOM 0 H VAL A 163 6.726 2.506 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 163 6.397 5.128 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 163 8.074 3.787 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.606 6.008 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.345 5.769 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 163 7.893 6.784 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.479 5.009 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.669 5.693 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.619 3.939 -2.557 1.00 0.00 H new ATOM 516 N ARG A 164 9.401 3.841 -5.620 1.00 0.00 N ATOM 517 CA ARG A 164 10.600 4.038 -6.430 1.00 0.00 C ATOM 518 C ARG A 164 10.326 3.995 -7.934 1.00 0.00 C ATOM 519 O ARG A 164 10.830 4.831 -8.680 1.00 0.00 O ATOM 520 CB ARG A 164 11.691 3.031 -6.038 1.00 0.00 C ATOM 521 CG ARG A 164 12.390 3.508 -4.760 1.00 0.00 C ATOM 522 CD ARG A 164 13.485 2.558 -4.265 1.00 0.00 C ATOM 523 NE ARG A 164 14.526 2.344 -5.284 1.00 0.00 N ATOM 524 CZ ARG A 164 15.854 2.265 -5.085 1.00 0.00 C ATOM 525 NH1 ARG A 164 16.401 2.481 -3.884 1.00 0.00 N ATOM 526 NH2 ARG A 164 16.644 1.954 -6.118 1.00 0.00 N ATOM 0 H ARG A 164 9.428 3.020 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 164 10.957 5.046 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 164 11.252 2.046 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.416 2.931 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.828 4.490 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.645 3.631 -3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 164 13.939 2.966 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.040 1.601 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 164 14.205 2.245 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 164 15.807 2.713 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 164 17.412 2.414 -3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 164 16.237 1.781 -7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 164 17.653 1.889 -5.987 1.00 0.00 H new ATOM 540 N LYS A 165 9.572 2.996 -8.387 1.00 0.00 N ATOM 541 CA LYS A 165 9.305 2.789 -9.807 1.00 0.00 C ATOM 542 C LYS A 165 8.134 3.632 -10.338 1.00 0.00 C ATOM 543 O LYS A 165 8.047 3.880 -11.537 1.00 0.00 O ATOM 544 CB LYS A 165 9.060 1.298 -10.028 1.00 0.00 C ATOM 545 CG LYS A 165 10.285 0.441 -9.674 1.00 0.00 C ATOM 546 CD LYS A 165 10.745 -0.331 -10.915 1.00 0.00 C ATOM 547 CE LYS A 165 11.900 -1.291 -10.603 1.00 0.00 C ATOM 548 NZ LYS A 165 13.099 -0.577 -10.130 1.00 0.00 N ATOM 0 H LYS A 165 9.129 2.307 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 165 10.173 3.125 -10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.211 0.979 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.791 1.128 -11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 165 11.092 1.075 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 165 10.036 -0.254 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.906 -0.895 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.058 0.374 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 165 11.582 -2.007 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 165 12.148 -1.863 -11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 13.881 -1.252 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 13.369 0.147 -10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 12.894 -0.121 -9.218 1.00 0.00 H new ATOM 562 N ASP A 166 7.223 4.037 -9.452 1.00 0.00 N ATOM 563 CA ASP A 166 6.003 4.797 -9.713 1.00 0.00 C ATOM 564 C ASP A 166 5.180 4.216 -10.861 1.00 0.00 C ATOM 565 O ASP A 166 4.855 4.902 -11.829 1.00 0.00 O ATOM 566 CB ASP A 166 6.288 6.296 -9.840 1.00 0.00 C ATOM 567 CG ASP A 166 5.003 7.114 -9.712 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.299 6.916 -8.695 1.00 0.00 O ATOM 569 OD2 ASP A 166 4.751 7.934 -10.621 1.00 0.00 O ATOM 0 H ASP A 166 7.328 3.826 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 166 5.360 4.693 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 166 6.995 6.601 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 166 6.758 6.500 -10.802 1.00 0.00 H new ATOM 574 N LEU A 167 4.819 2.935 -10.734 1.00 0.00 N ATOM 575 CA LEU A 167 4.014 2.234 -11.715 1.00 0.00 C ATOM 576 C LEU A 167 2.684 2.950 -11.928 1.00 0.00 C ATOM 577 O LEU A 167 1.937 3.184 -10.975 1.00 0.00 O ATOM 578 CB LEU A 167 3.716 0.815 -11.219 1.00 0.00 C ATOM 579 CG LEU A 167 4.831 -0.213 -11.434 1.00 0.00 C ATOM 580 CD1 LEU A 167 4.902 -0.663 -12.899 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.198 0.267 -10.958 1.00 0.00 C ATOM 0 H LEU A 167 5.085 2.358 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 167 4.570 2.205 -12.652 1.00 0.00 H new ATOM 0 HB2 LEU A 167 3.492 0.862 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 167 2.816 0.457 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 167 4.566 -1.069 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.703 -1.392 -13.017 1.00 0.00 H new ATOM 0 HD12 LEU A 167 3.953 -1.116 -13.187 1.00 0.00 H new ATOM 0 HD13 LEU A 167 5.100 0.200 -13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.940 -0.510 -11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 167 6.476 1.170 -11.502 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.156 0.485 -9.891 1.00 0.00 H new ATOM 593 N THR A 168 2.368 3.256 -13.185 1.00 0.00 N ATOM 594 CA THR A 168 1.113 3.873 -13.572 1.00 0.00 C ATOM 595 C THR A 168 0.007 2.814 -13.481 1.00 0.00 C ATOM 596 O THR A 168 -0.487 2.323 -14.493 1.00 0.00 O ATOM 597 CB THR A 168 1.276 4.455 -14.986 1.00 0.00 C ATOM 598 OG1 THR A 168 2.561 5.032 -15.108 1.00 0.00 O ATOM 599 CG2 THR A 168 0.214 5.518 -15.281 1.00 0.00 C ATOM 0 H THR A 168 2.991 3.077 -13.972 1.00 0.00 H new ATOM 0 HA THR A 168 0.835 4.694 -12.911 1.00 0.00 H new ATOM 0 HB THR A 168 1.154 3.644 -15.704 1.00 0.00 H new ATOM 0 HG1 THR A 168 2.669 5.403 -16.009 1.00 0.00 H new ATOM 0 HG21 THR A 168 0.359 5.908 -16.289 1.00 0.00 H new ATOM 0 HG22 THR A 168 -0.778 5.073 -15.204 1.00 0.00 H new ATOM 0 HG23 THR A 168 0.304 6.331 -14.561 1.00 0.00 H new ATOM 607 N TYR A 169 -0.363 2.433 -12.256 1.00 0.00 N ATOM 608 CA TYR A 169 -1.360 1.400 -12.037 1.00 0.00 C ATOM 609 C TYR A 169 -2.756 1.942 -12.339 1.00 0.00 C ATOM 610 O TYR A 169 -2.981 3.147 -12.434 1.00 0.00 O ATOM 611 CB TYR A 169 -1.346 0.954 -10.568 1.00 0.00 C ATOM 612 CG TYR A 169 -0.065 0.366 -10.011 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.548 -0.734 -10.642 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.339 0.732 -8.714 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.592 -1.425 -10.001 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.345 0.007 -8.058 1.00 0.00 C ATOM 617 CZ TYR A 169 2.013 -1.033 -8.719 1.00 0.00 C ATOM 618 OH TYR A 169 3.035 -1.688 -8.099 1.00 0.00 O ATOM 0 H TYR A 169 0.020 2.832 -11.399 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.124 0.563 -12.694 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.611 1.816 -9.956 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -2.136 0.215 -10.437 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.216 -1.048 -11.621 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.127 1.573 -8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.071 -2.258 -10.495 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.606 0.251 -7.039 1.00 0.00 H new ATOM 0 HH TYR A 169 3.322 -1.177 -7.313 1.00 0.00 H new ATOM 628 N THR A 170 -3.718 1.029 -12.453 1.00 0.00 N ATOM 629 CA THR A 170 -5.127 1.304 -12.652 1.00 0.00 C ATOM 630 C THR A 170 -5.846 0.055 -12.143 1.00 0.00 C ATOM 631 O THR A 170 -5.312 -1.049 -12.268 1.00 0.00 O ATOM 632 CB THR A 170 -5.409 1.606 -14.134 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.855 2.859 -14.481 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.908 1.676 -14.449 1.00 0.00 C ATOM 0 H THR A 170 -3.519 0.030 -12.406 1.00 0.00 H new ATOM 0 HA THR A 170 -5.474 2.187 -12.115 1.00 0.00 H new ATOM 0 HB THR A 170 -4.963 0.790 -14.702 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.268 3.168 -13.760 1.00 0.00 H new ATOM 0 HG21 THR A 170 -7.048 1.892 -15.508 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.375 0.721 -14.208 1.00 0.00 H new ATOM 0 HG23 THR A 170 -7.368 2.465 -13.854 1.00 0.00 H new ATOM 642 N CYS A 171 -7.032 0.228 -11.561 1.00 0.00 N ATOM 643 CA CYS A 171 -7.861 -0.856 -11.062 1.00 0.00 C ATOM 644 C CYS A 171 -9.090 -0.924 -11.956 1.00 0.00 C ATOM 645 O CYS A 171 -9.651 0.117 -12.292 1.00 0.00 O ATOM 646 CB CYS A 171 -8.258 -0.600 -9.608 1.00 0.00 C ATOM 647 SG CYS A 171 -9.348 -1.867 -8.918 1.00 0.00 S ATOM 0 H CYS A 171 -7.448 1.149 -11.423 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.320 -1.802 -11.084 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.356 -0.539 -9.000 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.753 0.369 -9.541 1.00 0.00 H new ATOM 0 HG CYS A 171 -10.453 -1.909 -9.602 1.00 0.00 H new ATOM 652 N ARG A 172 -9.506 -2.129 -12.347 1.00 0.00 N ATOM 653 CA ARG A 172 -10.653 -2.364 -13.211 1.00 0.00 C ATOM 654 C ARG A 172 -11.974 -2.168 -12.453 1.00 0.00 C ATOM 655 O ARG A 172 -12.840 -3.039 -12.460 1.00 0.00 O ATOM 656 CB ARG A 172 -10.537 -3.766 -13.827 1.00 0.00 C ATOM 657 CG ARG A 172 -9.117 -4.093 -14.328 1.00 0.00 C ATOM 658 CD ARG A 172 -8.250 -4.858 -13.309 1.00 0.00 C ATOM 659 NE ARG A 172 -7.151 -4.044 -12.759 1.00 0.00 N ATOM 660 CZ ARG A 172 -6.364 -4.435 -11.745 1.00 0.00 C ATOM 661 NH1 ARG A 172 -6.589 -5.605 -11.142 1.00 0.00 N ATOM 662 NH2 ARG A 172 -5.361 -3.652 -11.330 1.00 0.00 N ATOM 0 H ARG A 172 -9.038 -2.989 -12.061 1.00 0.00 H new ATOM 0 HA ARG A 172 -10.657 -1.631 -14.018 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -10.833 -4.507 -13.085 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -11.237 -3.850 -14.658 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -9.193 -4.684 -15.241 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -8.613 -3.163 -14.592 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -8.882 -5.205 -12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -7.833 -5.744 -13.788 1.00 0.00 H new ATOM 0 HE ARG A 172 -6.978 -3.128 -13.174 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -7.358 -6.199 -11.452 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -5.992 -5.904 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -5.193 -2.755 -11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -4.765 -3.953 -10.559 1.00 0.00 H new ATOM 676 N ASP A 173 -12.124 -1.009 -11.810 1.00 0.00 N ATOM 677 CA ASP A 173 -13.288 -0.577 -11.051 1.00 0.00 C ATOM 678 C ASP A 173 -13.329 0.950 -11.178 1.00 0.00 C ATOM 679 O ASP A 173 -13.254 1.462 -12.291 1.00 0.00 O ATOM 680 CB ASP A 173 -13.206 -1.067 -9.595 1.00 0.00 C ATOM 681 CG ASP A 173 -13.305 -2.585 -9.462 1.00 0.00 C ATOM 682 OD1 ASP A 173 -14.450 -3.083 -9.513 1.00 0.00 O ATOM 683 OD2 ASP A 173 -12.240 -3.215 -9.278 1.00 0.00 O ATOM 0 H ASP A 173 -11.386 -0.305 -11.808 1.00 0.00 H new ATOM 0 HA ASP A 173 -14.215 -1.004 -11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.265 -0.732 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -14.007 -0.606 -9.018 1.00 0.00 H new ATOM 688 N ASN A 174 -13.400 1.691 -10.068 1.00 0.00 N ATOM 689 CA ASN A 174 -13.389 3.150 -9.993 1.00 0.00 C ATOM 690 C ASN A 174 -12.618 3.534 -8.730 1.00 0.00 C ATOM 691 O ASN A 174 -12.347 2.679 -7.885 1.00 0.00 O ATOM 692 CB ASN A 174 -14.821 3.725 -9.945 1.00 0.00 C ATOM 693 CG ASN A 174 -15.435 4.164 -11.278 1.00 0.00 C ATOM 694 OD1 ASN A 174 -16.231 5.095 -11.297 1.00 0.00 O ATOM 695 ND2 ASN A 174 -15.088 3.551 -12.403 1.00 0.00 N ATOM 0 H ASN A 174 -13.471 1.261 -9.146 1.00 0.00 H new ATOM 0 HA ASN A 174 -12.914 3.564 -10.882 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -15.474 2.973 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -14.820 4.583 -9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -15.485 3.854 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -14.425 2.777 -12.378 1.00 0.00 H new ATOM 702 N LYS A 175 -12.271 4.818 -8.590 1.00 0.00 N ATOM 703 CA LYS A 175 -11.521 5.351 -7.454 1.00 0.00 C ATOM 704 C LYS A 175 -12.141 4.971 -6.103 1.00 0.00 C ATOM 705 O LYS A 175 -11.427 4.826 -5.114 1.00 0.00 O ATOM 706 CB LYS A 175 -11.389 6.875 -7.618 1.00 0.00 C ATOM 707 CG LYS A 175 -10.378 7.490 -6.636 1.00 0.00 C ATOM 708 CD LYS A 175 -10.371 9.025 -6.692 1.00 0.00 C ATOM 709 CE LYS A 175 -9.881 9.604 -8.026 1.00 0.00 C ATOM 710 NZ LYS A 175 -8.477 9.252 -8.300 1.00 0.00 N ATOM 0 H LYS A 175 -12.511 5.529 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 175 -10.529 4.900 -7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -11.082 7.102 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -12.364 7.339 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.616 7.167 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -9.380 7.116 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -11.380 9.389 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -9.737 9.404 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -10.511 9.234 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -9.986 10.689 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -8.187 9.663 -9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -7.871 9.627 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -8.380 8.217 -8.341 1.00 0.00 H new ATOM 724 N ASP A 176 -13.463 4.780 -6.056 1.00 0.00 N ATOM 725 CA ASP A 176 -14.178 4.413 -4.836 1.00 0.00 C ATOM 726 C ASP A 176 -14.021 2.929 -4.473 1.00 0.00 C ATOM 727 O ASP A 176 -14.658 2.473 -3.526 1.00 0.00 O ATOM 728 CB ASP A 176 -15.664 4.779 -4.970 1.00 0.00 C ATOM 729 CG ASP A 176 -16.405 3.844 -5.923 1.00 0.00 C ATOM 730 OD1 ASP A 176 -15.891 3.666 -7.048 1.00 0.00 O ATOM 731 OD2 ASP A 176 -17.467 3.330 -5.514 1.00 0.00 O ATOM 0 H ASP A 176 -14.069 4.877 -6.871 1.00 0.00 H new ATOM 0 HA ASP A 176 -13.731 4.980 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -16.135 4.742 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -15.753 5.805 -5.328 1.00 0.00 H new ATOM 736 N CYS A 177 -13.191 2.170 -5.198 1.00 0.00 N ATOM 737 CA CYS A 177 -12.920 0.766 -4.919 1.00 0.00 C ATOM 738 C CYS A 177 -12.097 0.639 -3.629 1.00 0.00 C ATOM 739 O CYS A 177 -10.896 0.375 -3.650 1.00 0.00 O ATOM 740 CB CYS A 177 -12.219 0.151 -6.131 1.00 0.00 C ATOM 741 SG CYS A 177 -11.657 -1.563 -5.956 1.00 0.00 S ATOM 0 H CYS A 177 -12.683 2.526 -6.008 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.847 0.217 -4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -12.900 0.202 -6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.356 0.770 -6.376 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.832 -1.850 -6.919 1.00 0.00 H new ATOM 746 N LEU A 178 -12.767 0.852 -2.497 1.00 0.00 N ATOM 747 CA LEU A 178 -12.197 0.786 -1.164 1.00 0.00 C ATOM 748 C LEU A 178 -11.547 -0.581 -0.940 1.00 0.00 C ATOM 749 O LEU A 178 -12.140 -1.611 -1.266 1.00 0.00 O ATOM 750 CB LEU A 178 -13.315 1.042 -0.142 1.00 0.00 C ATOM 751 CG LEU A 178 -12.875 0.946 1.331 1.00 0.00 C ATOM 752 CD1 LEU A 178 -11.839 2.016 1.690 1.00 0.00 C ATOM 753 CD2 LEU A 178 -14.101 1.104 2.235 1.00 0.00 C ATOM 0 H LEU A 178 -13.760 1.084 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 178 -11.423 1.544 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.730 2.034 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -14.118 0.325 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 178 -12.412 -0.030 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -11.557 1.912 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -10.956 1.893 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -12.266 3.005 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.794 1.037 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.564 2.074 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -14.819 0.314 2.016 1.00 0.00 H new ATOM 765 N ILE A 179 -10.345 -0.593 -0.359 1.00 0.00 N ATOM 766 CA ILE A 179 -9.656 -1.827 -0.030 1.00 0.00 C ATOM 767 C ILE A 179 -10.206 -2.371 1.287 1.00 0.00 C ATOM 768 O ILE A 179 -10.401 -1.626 2.244 1.00 0.00 O ATOM 769 CB ILE A 179 -8.138 -1.615 0.080 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.490 -1.089 -1.210 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.457 -2.924 0.499 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.599 -2.051 -2.394 1.00 0.00 C ATOM 0 H ILE A 179 -9.831 0.251 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.830 -2.544 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 179 -7.993 -0.845 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -7.957 -0.142 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -6.437 -0.882 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.381 -2.766 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.846 -3.243 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.659 -3.694 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -7.119 -1.609 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.106 -2.991 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.650 -2.239 -2.614 1.00 0.00 H new ATOM 784 N ASP A 180 -10.387 -3.689 1.323 1.00 0.00 N ATOM 785 CA ASP A 180 -10.775 -4.510 2.456 1.00 0.00 C ATOM 786 C ASP A 180 -10.348 -5.920 2.051 1.00 0.00 C ATOM 787 O ASP A 180 -9.940 -6.116 0.904 1.00 0.00 O ATOM 788 CB ASP A 180 -12.295 -4.470 2.686 1.00 0.00 C ATOM 789 CG ASP A 180 -12.784 -3.145 3.260 1.00 0.00 C ATOM 790 OD1 ASP A 180 -12.463 -2.889 4.442 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.498 -2.431 2.521 1.00 0.00 O ATOM 0 H ASP A 180 -10.253 -4.254 0.485 1.00 0.00 H new ATOM 0 HA ASP A 180 -10.317 -4.167 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.803 -4.658 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.574 -5.277 3.364 1.00 0.00 H new ATOM 921 N CYS A 187 -4.989 -5.290 -6.721 1.00 0.00 N ATOM 922 CA CYS A 187 -5.771 -4.058 -6.663 1.00 0.00 C ATOM 923 C CYS A 187 -4.778 -2.921 -6.386 1.00 0.00 C ATOM 924 O CYS A 187 -4.980 -2.033 -5.558 1.00 0.00 O ATOM 925 CB CYS A 187 -6.894 -4.232 -5.631 1.00 0.00 C ATOM 926 SG CYS A 187 -8.132 -2.918 -5.607 1.00 0.00 S ATOM 0 HA CYS A 187 -6.286 -3.811 -7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.398 -5.179 -5.823 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.446 -4.304 -4.640 1.00 0.00 H new ATOM 0 HG CYS A 187 -8.483 -2.631 -6.825 1.00 0.00 H new ATOM 931 N GLN A 188 -3.665 -3.008 -7.119 1.00 0.00 N ATOM 932 CA GLN A 188 -2.469 -2.187 -7.051 1.00 0.00 C ATOM 933 C GLN A 188 -2.761 -0.698 -6.854 1.00 0.00 C ATOM 934 O GLN A 188 -2.365 -0.115 -5.848 1.00 0.00 O ATOM 935 CB GLN A 188 -1.605 -2.417 -8.302 1.00 0.00 C ATOM 936 CG GLN A 188 -1.169 -3.875 -8.529 1.00 0.00 C ATOM 937 CD GLN A 188 -2.145 -4.707 -9.367 1.00 0.00 C ATOM 938 OE1 GLN A 188 -3.317 -4.365 -9.517 1.00 0.00 O ATOM 939 NE2 GLN A 188 -1.674 -5.827 -9.906 1.00 0.00 N ATOM 0 H GLN A 188 -3.578 -3.724 -7.840 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.920 -2.500 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -2.161 -2.079 -9.177 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.714 -1.794 -8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.195 -3.878 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -1.039 -4.357 -7.560 1.00 0.00 H new ATOM 0 HE21 GLN A 188 -0.698 -6.089 -9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 188 -2.289 -6.425 -10.459 1.00 0.00 H new ATOM 948 N TYR A 189 -3.435 -0.085 -7.829 1.00 0.00 N ATOM 949 CA TYR A 189 -3.762 1.335 -7.812 1.00 0.00 C ATOM 950 C TYR A 189 -4.390 1.739 -6.480 1.00 0.00 C ATOM 951 O TYR A 189 -3.873 2.599 -5.773 1.00 0.00 O ATOM 952 CB TYR A 189 -4.700 1.642 -8.985 1.00 0.00 C ATOM 953 CG TYR A 189 -5.341 3.016 -8.956 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.538 4.169 -8.894 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.743 3.139 -8.928 1.00 0.00 C ATOM 956 CE1 TYR A 189 -5.134 5.435 -8.765 1.00 0.00 C ATOM 957 CE2 TYR A 189 -7.337 4.406 -8.807 1.00 0.00 C ATOM 958 CZ TYR A 189 -6.533 5.550 -8.695 1.00 0.00 C ATOM 959 OH TYR A 189 -7.108 6.743 -8.376 1.00 0.00 O ATOM 0 H TYR A 189 -3.771 -0.570 -8.661 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.848 1.918 -7.921 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.139 1.540 -9.914 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.489 0.891 -9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.463 4.081 -8.946 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.363 2.258 -9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -4.517 6.320 -8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -8.413 4.499 -8.800 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.515 7.242 -7.775 1.00 0.00 H new ATOM 969 N CYS A 190 -5.507 1.104 -6.140 1.00 0.00 N ATOM 970 CA CYS A 190 -6.240 1.375 -4.918 1.00 0.00 C ATOM 971 C CYS A 190 -5.342 1.180 -3.690 1.00 0.00 C ATOM 972 O CYS A 190 -5.349 2.019 -2.794 1.00 0.00 O ATOM 973 CB CYS A 190 -7.468 0.473 -4.903 1.00 0.00 C ATOM 974 SG CYS A 190 -8.609 0.707 -6.291 1.00 0.00 S ATOM 0 H CYS A 190 -5.931 0.377 -6.717 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.567 2.414 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.137 -0.566 -4.896 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.012 0.641 -3.973 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.702 -0.399 -6.968 1.00 0.00 H new ATOM 979 N ARG A 191 -4.549 0.103 -3.636 1.00 0.00 N ATOM 980 CA ARG A 191 -3.638 -0.121 -2.515 1.00 0.00 C ATOM 981 C ARG A 191 -2.627 1.028 -2.388 1.00 0.00 C ATOM 982 O ARG A 191 -2.396 1.539 -1.291 1.00 0.00 O ATOM 983 CB ARG A 191 -2.936 -1.479 -2.644 1.00 0.00 C ATOM 984 CG ARG A 191 -3.936 -2.625 -2.451 1.00 0.00 C ATOM 985 CD ARG A 191 -3.255 -3.993 -2.555 1.00 0.00 C ATOM 986 NE ARG A 191 -4.229 -5.056 -2.842 1.00 0.00 N ATOM 987 CZ ARG A 191 -5.218 -5.464 -2.034 1.00 0.00 C ATOM 988 NH1 ARG A 191 -5.299 -5.025 -0.777 1.00 0.00 N ATOM 989 NH2 ARG A 191 -6.129 -6.317 -2.501 1.00 0.00 N ATOM 0 H ARG A 191 -4.522 -0.622 -4.353 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.226 -0.140 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.467 -1.560 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.140 -1.555 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.415 -2.530 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.723 -2.552 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -2.500 -3.967 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -2.736 -4.215 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 191 -4.144 -5.528 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -4.603 -4.371 -0.420 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -6.057 -5.344 -0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -6.069 -6.652 -3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -6.887 -6.635 -1.897 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.028 1.448 -3.506 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.077 2.553 -3.518 1.00 0.00 C ATOM 1005 C TYR A 192 -1.772 3.827 -3.021 1.00 0.00 C ATOM 1006 O TYR A 192 -1.270 4.504 -2.124 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.490 2.706 -4.931 1.00 0.00 C ATOM 1008 CG TYR A 192 0.558 3.791 -5.142 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.546 4.053 -4.171 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.663 4.395 -6.411 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.614 4.920 -4.465 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.747 5.237 -6.714 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.729 5.496 -5.743 1.00 0.00 C ATOM 1014 OH TYR A 192 3.827 6.242 -6.053 1.00 0.00 O ATOM 0 H TYR A 192 -2.191 1.031 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.244 2.355 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.049 1.751 -5.217 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.314 2.895 -5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.483 3.587 -3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.096 4.209 -7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.349 5.144 -3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.825 5.685 -7.694 1.00 0.00 H new ATOM 0 HH TYR A 192 3.847 6.409 -7.018 1.00 0.00 H new ATOM 1024 N GLN A 193 -2.947 4.134 -3.578 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.744 5.278 -3.170 1.00 0.00 C ATOM 1026 C GLN A 193 -4.028 5.227 -1.667 1.00 0.00 C ATOM 1027 O GLN A 193 -3.847 6.236 -0.991 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.043 5.322 -3.985 1.00 0.00 C ATOM 1029 CG GLN A 193 -4.830 5.586 -5.483 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.636 7.058 -5.827 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -5.537 7.700 -6.362 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -3.451 7.604 -5.574 1.00 0.00 N ATOM 0 H GLN A 193 -3.368 3.588 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.185 6.193 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.568 4.375 -3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.690 6.099 -3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -3.958 5.026 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.688 5.204 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -2.719 7.050 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -3.274 8.577 -5.825 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.439 4.072 -1.132 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.677 3.915 0.295 1.00 0.00 C ATOM 1043 C LYS A 194 -3.406 4.283 1.062 1.00 0.00 C ATOM 1044 O LYS A 194 -3.444 5.145 1.940 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.105 2.473 0.614 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.574 2.174 0.290 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.594 2.805 1.256 1.00 0.00 C ATOM 1048 CE LYS A 194 -7.394 2.438 2.736 1.00 0.00 C ATOM 1049 NZ LYS A 194 -7.367 0.980 2.968 1.00 0.00 N ATOM 0 H LYS A 194 -4.613 3.228 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.485 4.580 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.472 1.784 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.930 2.278 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.787 2.525 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -6.718 1.094 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.546 3.889 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.596 2.501 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -6.460 2.875 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -8.197 2.880 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -7.146 0.791 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -8.296 0.574 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -6.640 0.546 2.364 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.285 3.632 0.740 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.009 3.880 1.405 1.00 0.00 C ATOM 1065 C ALA A 195 -0.671 5.374 1.436 1.00 0.00 C ATOM 1066 O ALA A 195 -0.311 5.920 2.482 1.00 0.00 O ATOM 1067 CB ALA A 195 0.099 3.097 0.702 1.00 0.00 C ATOM 0 H ALA A 195 -2.239 2.920 0.011 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.092 3.542 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 195 1.050 3.284 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.127 2.031 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 195 0.166 3.416 -0.338 1.00 0.00 H new ATOM 1073 N LEU A 196 -0.795 6.033 0.280 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.528 7.455 0.163 1.00 0.00 C ATOM 1075 C LEU A 196 -1.488 8.251 1.048 1.00 0.00 C ATOM 1076 O LEU A 196 -1.055 9.045 1.880 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.638 7.879 -1.308 1.00 0.00 C ATOM 1078 CG LEU A 196 0.480 7.317 -2.205 1.00 0.00 C ATOM 1079 CD1 LEU A 196 0.095 7.549 -3.670 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.834 7.984 -1.926 1.00 0.00 C ATOM 0 H LEU A 196 -1.083 5.591 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 196 0.485 7.665 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.602 7.553 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.623 8.967 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 196 0.587 6.254 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.878 7.156 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.844 7.039 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.023 8.617 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.592 7.556 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.757 9.055 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 196 2.116 7.815 -0.887 1.00 0.00 H new ATOM 1092 N ALA A 197 -2.791 8.028 0.881 1.00 0.00 N ATOM 1093 CA ALA A 197 -3.848 8.703 1.623 1.00 0.00 C ATOM 1094 C ALA A 197 -3.643 8.597 3.136 1.00 0.00 C ATOM 1095 O ALA A 197 -3.804 9.583 3.851 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.211 8.137 1.216 1.00 0.00 C ATOM 0 H ALA A 197 -3.148 7.352 0.205 1.00 0.00 H new ATOM 0 HA ALA A 197 -3.812 9.763 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -5.997 8.645 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.365 8.292 0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.242 7.070 1.436 1.00 0.00 H new ATOM 1102 N MET A 198 -3.285 7.408 3.625 1.00 0.00 N ATOM 1103 CA MET A 198 -3.048 7.180 5.047 1.00 0.00 C ATOM 1104 C MET A 198 -1.730 7.806 5.519 1.00 0.00 C ATOM 1105 O MET A 198 -1.467 7.840 6.719 1.00 0.00 O ATOM 1106 CB MET A 198 -3.138 5.682 5.359 1.00 0.00 C ATOM 1107 CG MET A 198 -4.590 5.220 5.168 1.00 0.00 C ATOM 1108 SD MET A 198 -4.957 3.483 5.464 1.00 0.00 S ATOM 1109 CE MET A 198 -3.709 2.726 4.412 1.00 0.00 C ATOM 0 H MET A 198 -3.152 6.579 3.045 1.00 0.00 H new ATOM 0 HA MET A 198 -3.830 7.686 5.614 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.474 5.120 4.702 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.813 5.490 6.381 1.00 0.00 H new ATOM 0 HG2 MET A 198 -5.221 5.814 5.829 1.00 0.00 H new ATOM 0 HG3 MET A 198 -4.886 5.457 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 198 -4.083 1.777 4.029 1.00 0.00 H new ATOM 0 HE2 MET A 198 -3.484 3.391 3.578 1.00 0.00 H new ATOM 0 HE3 MET A 198 -2.802 2.551 4.991 1.00 0.00 H new ATOM 1119 N GLY A 199 -0.914 8.328 4.600 1.00 0.00 N ATOM 1120 CA GLY A 199 0.306 9.031 4.936 1.00 0.00 C ATOM 1121 C GLY A 199 1.471 8.097 5.216 1.00 0.00 C ATOM 1122 O GLY A 199 2.290 8.403 6.083 1.00 0.00 O ATOM 0 H GLY A 199 -1.091 8.269 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.572 9.699 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 199 0.130 9.656 5.812 1.00 0.00 H new ATOM 1126 N MET A 200 1.594 6.992 4.468 1.00 0.00 N ATOM 1127 CA MET A 200 2.779 6.154 4.618 1.00 0.00 C ATOM 1128 C MET A 200 3.995 7.024 4.285 1.00 0.00 C ATOM 1129 O MET A 200 4.028 7.658 3.229 1.00 0.00 O ATOM 1130 CB MET A 200 2.725 4.915 3.714 1.00 0.00 C ATOM 1131 CG MET A 200 1.888 3.794 4.337 1.00 0.00 C ATOM 1132 SD MET A 200 2.147 2.166 3.593 1.00 0.00 S ATOM 1133 CE MET A 200 1.366 1.120 4.839 1.00 0.00 C ATOM 0 H MET A 200 0.913 6.671 3.780 1.00 0.00 H new ATOM 0 HA MET A 200 2.839 5.778 5.639 1.00 0.00 H new ATOM 0 HB2 MET A 200 2.304 5.189 2.747 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.737 4.554 3.531 1.00 0.00 H new ATOM 0 HG2 MET A 200 2.117 3.734 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.833 4.055 4.252 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.374 0.084 4.501 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.915 1.200 5.777 1.00 0.00 H new ATOM 0 HE3 MET A 200 0.336 1.443 4.992 1.00 0.00 H new ATOM 1143 N LYS A 201 4.969 7.097 5.196 1.00 0.00 N ATOM 1144 CA LYS A 201 6.137 7.943 5.045 1.00 0.00 C ATOM 1145 C LYS A 201 7.028 7.492 3.892 1.00 0.00 C ATOM 1146 O LYS A 201 8.042 6.829 4.098 1.00 0.00 O ATOM 1147 CB LYS A 201 6.914 8.015 6.363 1.00 0.00 C ATOM 1148 CG LYS A 201 6.123 8.680 7.498 1.00 0.00 C ATOM 1149 CD LYS A 201 5.593 10.093 7.198 1.00 0.00 C ATOM 1150 CE LYS A 201 6.666 11.072 6.700 1.00 0.00 C ATOM 1151 NZ LYS A 201 7.780 11.202 7.655 1.00 0.00 N ATOM 0 H LYS A 201 4.961 6.562 6.064 1.00 0.00 H new ATOM 0 HA LYS A 201 5.792 8.946 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 201 7.194 7.007 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.839 8.568 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 201 5.278 8.040 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.761 8.730 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 201 4.805 10.022 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 201 5.138 10.498 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 201 7.050 10.730 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 201 6.215 12.050 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 8.457 11.910 7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 7.411 11.504 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 8.259 10.285 7.756 1.00 0.00 H new ATOM 1165 N ARG A 202 6.644 7.906 2.683 1.00 0.00 N ATOM 1166 CA ARG A 202 7.315 7.677 1.414 1.00 0.00 C ATOM 1167 C ARG A 202 8.839 7.754 1.570 1.00 0.00 C ATOM 1168 O ARG A 202 9.554 6.896 1.063 1.00 0.00 O ATOM 1169 CB ARG A 202 6.809 8.752 0.441 1.00 0.00 C ATOM 1170 CG ARG A 202 7.279 8.524 -1.000 1.00 0.00 C ATOM 1171 CD ARG A 202 7.409 9.861 -1.738 1.00 0.00 C ATOM 1172 NE ARG A 202 8.488 10.672 -1.155 1.00 0.00 N ATOM 1173 CZ ARG A 202 9.797 10.425 -1.300 1.00 0.00 C ATOM 1174 NH1 ARG A 202 10.235 9.471 -2.125 1.00 0.00 N ATOM 1175 NH2 ARG A 202 10.691 11.129 -0.603 1.00 0.00 N ATOM 0 H ARG A 202 5.790 8.451 2.563 1.00 0.00 H new ATOM 0 HA ARG A 202 7.092 6.678 1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.719 8.771 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 202 7.152 9.730 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 202 8.239 8.007 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.571 7.880 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 202 7.612 9.681 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 202 6.467 10.406 -1.683 1.00 0.00 H new ATOM 0 HE ARG A 202 8.220 11.484 -0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 202 9.569 8.914 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 202 11.236 9.299 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 202 10.378 11.856 0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 202 11.687 10.940 -0.714 1.00 0.00 H new ATOM 1189 N GLU A 203 9.334 8.758 2.299 1.00 0.00 N ATOM 1190 CA GLU A 203 10.755 8.968 2.551 1.00 0.00 C ATOM 1191 C GLU A 203 11.451 7.671 2.976 1.00 0.00 C ATOM 1192 O GLU A 203 12.512 7.329 2.455 1.00 0.00 O ATOM 1193 CB GLU A 203 10.928 10.037 3.642 1.00 0.00 C ATOM 1194 CG GLU A 203 10.673 11.465 3.138 1.00 0.00 C ATOM 1195 CD GLU A 203 9.279 11.689 2.557 1.00 0.00 C ATOM 1196 OE1 GLU A 203 8.315 11.191 3.181 1.00 0.00 O ATOM 1197 OE2 GLU A 203 9.209 12.327 1.484 1.00 0.00 O ATOM 0 H GLU A 203 8.741 9.462 2.739 1.00 0.00 H new ATOM 0 HA GLU A 203 11.219 9.304 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.245 9.822 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.939 9.976 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.826 12.161 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 203 11.414 11.706 2.376 1.00 0.00 H new ATOM 1204 N ALA A 204 10.831 6.942 3.907 1.00 0.00 N ATOM 1205 CA ALA A 204 11.346 5.691 4.446 1.00 0.00 C ATOM 1206 C ALA A 204 11.716 4.684 3.355 1.00 0.00 C ATOM 1207 O ALA A 204 12.653 3.901 3.526 1.00 0.00 O ATOM 1208 CB ALA A 204 10.333 5.103 5.423 1.00 0.00 C ATOM 0 H ALA A 204 9.936 7.216 4.313 1.00 0.00 H new ATOM 0 HA ALA A 204 12.273 5.912 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.718 4.167 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.163 5.807 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.393 4.915 4.904 1.00 0.00 H new ATOM 1214 N VAL A 205 11.026 4.715 2.212 1.00 0.00 N ATOM 1215 CA VAL A 205 11.346 3.835 1.099 1.00 0.00 C ATOM 1216 C VAL A 205 12.809 4.011 0.702 1.00 0.00 C ATOM 1217 O VAL A 205 13.532 3.029 0.547 1.00 0.00 O ATOM 1218 CB VAL A 205 10.388 4.107 -0.073 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.854 3.449 -1.374 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.970 3.683 0.328 1.00 0.00 C ATOM 0 H VAL A 205 10.242 5.343 2.039 1.00 0.00 H new ATOM 0 HA VAL A 205 11.212 2.795 1.397 1.00 0.00 H new ATOM 0 HB VAL A 205 10.385 5.177 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 205 10.143 3.672 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.836 3.836 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.916 2.370 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.286 3.873 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.962 2.620 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.652 4.254 1.200 1.00 0.00 H new ATOM 1230 N GLN A 206 13.249 5.265 0.594 1.00 0.00 N ATOM 1231 CA GLN A 206 14.619 5.609 0.241 1.00 0.00 C ATOM 1232 C GLN A 206 15.587 5.356 1.400 1.00 0.00 C ATOM 1233 O GLN A 206 16.797 5.472 1.215 1.00 0.00 O ATOM 1234 CB GLN A 206 14.689 7.085 -0.173 1.00 0.00 C ATOM 1235 CG GLN A 206 13.749 7.422 -1.338 1.00 0.00 C ATOM 1236 CD GLN A 206 13.854 8.894 -1.720 1.00 0.00 C ATOM 1237 OE1 GLN A 206 12.910 9.659 -1.543 1.00 0.00 O ATOM 1238 NE2 GLN A 206 14.999 9.311 -2.250 1.00 0.00 N ATOM 0 H GLN A 206 12.653 6.078 0.752 1.00 0.00 H new ATOM 0 HA GLN A 206 14.919 4.971 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.437 7.710 0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.713 7.330 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 206 13.995 6.801 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 206 12.721 7.188 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 206 15.767 8.654 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 206 15.110 10.288 -2.521 1.00 0.00 H new ATOM 1247 N GLU A 207 15.081 5.021 2.591 1.00 0.00 N ATOM 1248 CA GLU A 207 15.908 4.756 3.760 1.00 0.00 C ATOM 1249 C GLU A 207 16.202 3.261 3.817 1.00 0.00 C ATOM 1250 O GLU A 207 17.324 2.870 4.126 1.00 0.00 O ATOM 1251 CB GLU A 207 15.239 5.270 5.041 1.00 0.00 C ATOM 1252 CG GLU A 207 15.044 6.795 4.978 1.00 0.00 C ATOM 1253 CD GLU A 207 14.291 7.338 6.188 1.00 0.00 C ATOM 1254 OE1 GLU A 207 14.634 6.913 7.312 1.00 0.00 O ATOM 1255 OE2 GLU A 207 13.379 8.165 5.966 1.00 0.00 O ATOM 0 H GLU A 207 14.081 4.927 2.766 1.00 0.00 H new ATOM 0 HA GLU A 207 16.852 5.295 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.275 4.780 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 207 15.851 5.012 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.018 7.280 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 207 14.499 7.051 4.070 1.00 0.00 H new