USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=29 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+ -164:sc= 1.03 (180deg=-0.074) USER MOD Set 1.2: A 189 TYR OH : rot -47:sc= 2.1 USER MOD Set 1.3: A 193 GLN : amide:sc= 0.633 K(o=3.8,f=1.2) USER MOD Set 2.1: A 171 CYS SG : rot -60:sc= 1.16 USER MOD Set 2.2: A 177 CYS SG : rot -154:sc= 0.312 USER MOD Set 2.3: A 187 CYS SG : rot 41:sc= -0.998 USER MOD Set 2.4: A 190 CYS SG : rot 116:sc= 0.212 USER MOD Set 3.1: A 162 THR OG1 : rot 79:sc= 2.14 USER MOD Set 3.2: A 169 TYR OH : rot 174:sc= 1.2 USER MOD Set 4.1: A 135 CYS SG : rot 26:sc= 0.775 USER MOD Set 4.2: A 138 CYS SG : rot -41:sc= 0.124 USER MOD Set 4.3: A 151 SER OG : rot 23:sc= 1.22 USER MOD Set 4.4: A 152 CYS SG : rot -63:sc= 0.685 USER MOD Set 4.5: A 155 CYS SG : rot 98:sc= 0.255 USER MOD Set 4.6: A 156 LYS NZ :NH3+ 165:sc= 1.07 (180deg=0.837) USER MOD Set 4.7: A 200 MET CE :methyl -179:sc= -0.499 (180deg=-0.546) USER MOD Single : A 133 HIS : no HE2:sc= 0.328 K(o=0.33,f=-4.3!) USER MOD Single : A 142 SER OG : rot 94:sc= 0.974 USER MOD Single : A 143 SER OG : rot -90:sc= -0.0247 USER MOD Single : A 145 LYS NZ :NH3+ -147:sc= 1.03 (180deg=0.184) USER MOD Single : A 146 HIS : no HE2:sc= -0.51 K(o=-0.51,f=-1.7) USER MOD Single : A 147 TYR OH : rot 163:sc= 1.11 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.063) USER MOD Single : A 168 THR OG1 : rot 54:sc= 0.286 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 174 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 188 GLN : amide:sc= 1 K(o=1,f=-3.8!) USER MOD Single : A 192 TYR OH : rot 178:sc= 2.14 USER MOD Single : A 194 LYS NZ :NH3+ -166:sc= 0.942 (180deg=0.663) USER MOD Single : A 198 MET CE :methyl 155:sc= -0.849 (180deg=-1.59) USER MOD Single : A 201 LYS NZ :NH3+ -159:sc= 0.98 (180deg=0.519) USER MOD Single : A 206 GLN : amide:sc= -0.41 K(o=-0.41,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -2.079 -5.565 15.293 1.00 0.00 N ATOM 58 CA HIS A 133 -2.971 -4.523 14.802 1.00 0.00 C ATOM 59 C HIS A 133 -3.340 -4.810 13.339 1.00 0.00 C ATOM 60 O HIS A 133 -2.535 -5.370 12.593 1.00 0.00 O ATOM 61 CB HIS A 133 -2.233 -3.184 14.953 1.00 0.00 C ATOM 62 CG HIS A 133 -3.044 -1.937 14.684 1.00 0.00 C ATOM 63 ND1 HIS A 133 -3.587 -1.557 13.478 1.00 0.00 N ATOM 64 CD2 HIS A 133 -3.163 -0.867 15.531 1.00 0.00 C ATOM 65 CE1 HIS A 133 -4.057 -0.306 13.612 1.00 0.00 C ATOM 66 NE2 HIS A 133 -3.815 0.160 14.846 1.00 0.00 N ATOM 0 HA HIS A 133 -3.902 -4.490 15.367 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.839 -3.123 15.967 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -1.377 -3.187 14.278 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -3.626 -2.125 12.632 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -2.813 -0.825 16.552 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -4.560 0.248 12.834 1.00 0.00 H new ATOM 74 N ILE A 134 -4.545 -4.433 12.903 1.00 0.00 N ATOM 75 CA ILE A 134 -4.951 -4.663 11.522 1.00 0.00 C ATOM 76 C ILE A 134 -4.204 -3.730 10.560 1.00 0.00 C ATOM 77 O ILE A 134 -3.828 -2.618 10.925 1.00 0.00 O ATOM 78 CB ILE A 134 -6.482 -4.646 11.356 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.254 -3.515 12.059 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.040 -5.996 11.821 1.00 0.00 C ATOM 81 CD1 ILE A 134 -6.911 -2.123 11.527 1.00 0.00 C ATOM 0 H ILE A 134 -5.247 -3.972 13.482 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.653 -5.674 11.245 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.639 -4.454 10.295 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.324 -3.687 11.941 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -7.042 -3.550 13.128 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.124 -5.999 11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.610 -6.795 11.217 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.783 -6.155 12.868 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -7.491 -1.374 12.067 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -5.848 -1.931 11.670 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -7.150 -2.070 10.465 1.00 0.00 H new ATOM 93 N CYS A 135 -3.933 -4.203 9.346 1.00 0.00 N ATOM 94 CA CYS A 135 -3.180 -3.477 8.341 1.00 0.00 C ATOM 95 C CYS A 135 -3.989 -2.285 7.860 1.00 0.00 C ATOM 96 O CYS A 135 -5.098 -2.462 7.363 1.00 0.00 O ATOM 97 CB CYS A 135 -2.828 -4.405 7.171 1.00 0.00 C ATOM 98 SG CYS A 135 -2.018 -3.606 5.756 1.00 0.00 S ATOM 0 H CYS A 135 -4.240 -5.123 9.032 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.250 -3.114 8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.176 -5.196 7.541 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.743 -4.883 6.821 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.386 -2.544 6.160 1.00 0.00 H new ATOM 103 N ALA A 136 -3.429 -1.083 7.979 1.00 0.00 N ATOM 104 CA ALA A 136 -4.082 0.147 7.555 1.00 0.00 C ATOM 105 C ALA A 136 -4.676 0.061 6.141 1.00 0.00 C ATOM 106 O ALA A 136 -5.721 0.644 5.870 1.00 0.00 O ATOM 107 CB ALA A 136 -3.072 1.291 7.666 1.00 0.00 C ATOM 0 H ALA A 136 -2.501 -0.937 8.376 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.933 0.328 8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.542 2.223 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.738 1.383 8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.215 1.083 7.025 1.00 0.00 H new ATOM 113 N ILE A 137 -3.991 -0.639 5.231 1.00 0.00 N ATOM 114 CA ILE A 137 -4.394 -0.751 3.832 1.00 0.00 C ATOM 115 C ILE A 137 -5.451 -1.837 3.583 1.00 0.00 C ATOM 116 O ILE A 137 -6.421 -1.558 2.883 1.00 0.00 O ATOM 117 CB ILE A 137 -3.146 -0.917 2.938 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.246 0.327 3.065 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.500 -1.111 1.449 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.788 0.005 2.748 1.00 0.00 C ATOM 0 H ILE A 137 -3.134 -1.147 5.450 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.893 0.179 3.559 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.631 -1.813 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.602 1.104 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.319 0.727 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.584 -1.222 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.113 -2.005 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.053 -0.243 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.186 0.908 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.424 -0.753 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.712 -0.370 1.727 1.00 0.00 H new ATOM 132 N CYS A 138 -5.259 -3.070 4.080 1.00 0.00 N ATOM 133 CA CYS A 138 -6.145 -4.201 3.765 1.00 0.00 C ATOM 134 C CYS A 138 -6.795 -4.915 4.951 1.00 0.00 C ATOM 135 O CYS A 138 -7.542 -5.868 4.748 1.00 0.00 O ATOM 136 CB CYS A 138 -5.389 -5.209 2.892 1.00 0.00 C ATOM 137 SG CYS A 138 -3.979 -6.040 3.674 1.00 0.00 S ATOM 0 H CYS A 138 -4.491 -3.309 4.707 1.00 0.00 H new ATOM 0 HA CYS A 138 -6.988 -3.754 3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.094 -5.970 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.032 -4.692 2.001 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.312 -5.183 4.388 1.00 0.00 H new ATOM 142 N GLY A 139 -6.543 -4.485 6.184 1.00 0.00 N ATOM 143 CA GLY A 139 -7.158 -5.085 7.360 1.00 0.00 C ATOM 144 C GLY A 139 -6.556 -6.432 7.777 1.00 0.00 C ATOM 145 O GLY A 139 -7.022 -7.030 8.742 1.00 0.00 O ATOM 0 H GLY A 139 -5.909 -3.714 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.071 -4.389 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.222 -5.221 7.168 1.00 0.00 H new ATOM 149 N ASP A 140 -5.527 -6.927 7.082 1.00 0.00 N ATOM 150 CA ASP A 140 -4.862 -8.183 7.421 1.00 0.00 C ATOM 151 C ASP A 140 -4.088 -8.005 8.729 1.00 0.00 C ATOM 152 O ASP A 140 -3.831 -6.881 9.141 1.00 0.00 O ATOM 153 CB ASP A 140 -3.871 -8.567 6.309 1.00 0.00 C ATOM 154 CG ASP A 140 -4.505 -9.058 5.010 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.738 -8.922 4.855 1.00 0.00 O ATOM 156 OD2 ASP A 140 -3.732 -9.560 4.167 1.00 0.00 O ATOM 0 H ASP A 140 -5.132 -6.463 6.264 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.612 -8.967 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.248 -7.701 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.209 -9.346 6.688 1.00 0.00 H new ATOM 161 N ARG A 141 -3.662 -9.094 9.369 1.00 0.00 N ATOM 162 CA ARG A 141 -2.837 -9.006 10.569 1.00 0.00 C ATOM 163 C ARG A 141 -1.525 -8.292 10.201 1.00 0.00 C ATOM 164 O ARG A 141 -0.797 -8.780 9.337 1.00 0.00 O ATOM 165 CB ARG A 141 -2.591 -10.430 11.093 1.00 0.00 C ATOM 166 CG ARG A 141 -1.759 -10.437 12.380 1.00 0.00 C ATOM 167 CD ARG A 141 -1.458 -11.862 12.853 1.00 0.00 C ATOM 168 NE ARG A 141 -2.668 -12.566 13.300 1.00 0.00 N ATOM 169 CZ ARG A 141 -2.670 -13.795 13.836 1.00 0.00 C ATOM 170 NH1 ARG A 141 -1.519 -14.451 14.018 1.00 0.00 N ATOM 171 NH2 ARG A 141 -3.824 -14.354 14.205 1.00 0.00 N ATOM 0 H ARG A 141 -3.876 -10.047 9.075 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.326 -8.434 11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.548 -10.918 11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -2.079 -11.014 10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.823 -9.905 12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.295 -9.900 13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.993 -12.422 12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.737 -11.827 13.670 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.564 -12.089 13.196 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.636 -14.017 13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -1.524 -15.386 14.426 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -4.700 -13.847 14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -3.830 -15.289 14.613 1.00 0.00 H new ATOM 185 N SER A 142 -1.221 -7.138 10.808 1.00 0.00 N ATOM 186 CA SER A 142 -0.006 -6.406 10.469 1.00 0.00 C ATOM 187 C SER A 142 1.258 -7.170 10.850 1.00 0.00 C ATOM 188 O SER A 142 1.290 -7.911 11.830 1.00 0.00 O ATOM 189 CB SER A 142 0.042 -5.042 11.159 1.00 0.00 C ATOM 190 OG SER A 142 -1.017 -4.239 10.697 1.00 0.00 O ATOM 0 H SER A 142 -1.796 -6.699 11.528 1.00 0.00 H new ATOM 0 HA SER A 142 -0.037 -6.277 9.387 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.029 -5.168 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.996 -4.555 10.957 1.00 0.00 H new ATOM 0 HG SER A 142 -1.781 -4.323 11.305 1.00 0.00 H new ATOM 196 N SER A 143 2.327 -6.900 10.103 1.00 0.00 N ATOM 197 CA SER A 143 3.657 -7.412 10.361 1.00 0.00 C ATOM 198 C SER A 143 4.332 -6.460 11.348 1.00 0.00 C ATOM 199 O SER A 143 5.013 -6.907 12.267 1.00 0.00 O ATOM 200 CB SER A 143 4.421 -7.535 9.041 1.00 0.00 C ATOM 201 OG SER A 143 3.685 -8.353 8.144 1.00 0.00 O ATOM 0 H SER A 143 2.282 -6.301 9.279 1.00 0.00 H new ATOM 0 HA SER A 143 3.632 -8.409 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.577 -6.548 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 143 5.407 -7.965 9.217 1.00 0.00 H new ATOM 0 HG SER A 143 3.954 -9.288 8.259 1.00 0.00 H new ATOM 207 N GLY A 144 4.120 -5.147 11.192 1.00 0.00 N ATOM 208 CA GLY A 144 4.667 -4.174 12.122 1.00 0.00 C ATOM 209 C GLY A 144 4.266 -2.754 11.740 1.00 0.00 C ATOM 210 O GLY A 144 3.569 -2.542 10.744 1.00 0.00 O ATOM 0 H GLY A 144 3.574 -4.744 10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.316 -4.394 13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.754 -4.255 12.138 1.00 0.00 H new ATOM 214 N LYS A 145 4.725 -1.786 12.539 1.00 0.00 N ATOM 215 CA LYS A 145 4.490 -0.358 12.352 1.00 0.00 C ATOM 216 C LYS A 145 5.432 0.147 11.252 1.00 0.00 C ATOM 217 O LYS A 145 6.302 0.989 11.469 1.00 0.00 O ATOM 218 CB LYS A 145 4.674 0.343 13.707 1.00 0.00 C ATOM 219 CG LYS A 145 4.128 1.776 13.716 1.00 0.00 C ATOM 220 CD LYS A 145 4.198 2.345 15.139 1.00 0.00 C ATOM 221 CE LYS A 145 3.565 3.739 15.243 1.00 0.00 C ATOM 222 NZ LYS A 145 4.292 4.749 14.456 1.00 0.00 N ATOM 0 H LYS A 145 5.291 -1.987 13.363 1.00 0.00 H new ATOM 0 HA LYS A 145 3.475 -0.139 12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 145 4.172 -0.237 14.482 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.734 0.362 13.960 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.706 2.400 13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 145 3.098 1.786 13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 145 3.690 1.666 15.824 1.00 0.00 H new ATOM 0 HD3 LYS A 145 5.240 2.397 15.456 1.00 0.00 H new ATOM 0 HE2 LYS A 145 2.531 3.691 14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.541 4.046 16.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 4.235 5.670 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 5.289 4.467 14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.866 4.825 13.510 1.00 0.00 H new ATOM 236 N HIS A 146 5.263 -0.402 10.051 1.00 0.00 N ATOM 237 CA HIS A 146 6.109 -0.126 8.906 1.00 0.00 C ATOM 238 C HIS A 146 5.772 1.254 8.344 1.00 0.00 C ATOM 239 O HIS A 146 4.608 1.626 8.227 1.00 0.00 O ATOM 240 CB HIS A 146 5.886 -1.225 7.868 1.00 0.00 C ATOM 241 CG HIS A 146 6.239 -2.615 8.349 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.953 -2.924 9.488 1.00 0.00 N ATOM 243 CD2 HIS A 146 5.915 -3.800 7.737 1.00 0.00 C ATOM 244 CE1 HIS A 146 7.050 -4.263 9.557 1.00 0.00 C ATOM 245 NE2 HIS A 146 6.424 -4.837 8.520 1.00 0.00 N ATOM 0 H HIS A 146 4.515 -1.065 9.849 1.00 0.00 H new ATOM 0 HA HIS A 146 7.161 -0.119 9.191 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.840 -1.213 7.563 1.00 0.00 H new ATOM 0 HB3 HIS A 146 6.479 -0.998 6.982 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.338 -2.257 10.157 1.00 0.00 H new ATOM 0 HD2 HIS A 146 5.365 -3.910 6.814 1.00 0.00 H new ATOM 0 HE1 HIS A 146 7.562 -4.802 10.340 1.00 0.00 H new ATOM 253 N TYR A 147 6.810 2.041 8.051 1.00 0.00 N ATOM 254 CA TYR A 147 6.674 3.417 7.584 1.00 0.00 C ATOM 255 C TYR A 147 5.839 4.240 8.578 1.00 0.00 C ATOM 256 O TYR A 147 5.173 5.200 8.196 1.00 0.00 O ATOM 257 CB TYR A 147 6.100 3.464 6.156 1.00 0.00 C ATOM 258 CG TYR A 147 6.734 2.538 5.125 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.062 2.082 5.246 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.958 2.108 4.035 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.583 1.161 4.320 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.454 1.128 3.158 1.00 0.00 C ATOM 263 CZ TYR A 147 7.767 0.658 3.296 1.00 0.00 C ATOM 264 OH TYR A 147 8.236 -0.310 2.460 1.00 0.00 O ATOM 0 H TYR A 147 7.779 1.734 8.133 1.00 0.00 H new ATOM 0 HA TYR A 147 7.664 3.870 7.537 1.00 0.00 H new ATOM 0 HB2 TYR A 147 5.036 3.232 6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.185 4.487 5.790 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.682 2.442 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.978 2.532 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.612 0.841 4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.821 0.736 2.375 1.00 0.00 H new ATOM 0 HH TYR A 147 7.484 -0.735 1.997 1.00 0.00 H new ATOM 274 N GLY A 148 5.881 3.856 9.862 1.00 0.00 N ATOM 275 CA GLY A 148 5.163 4.521 10.933 1.00 0.00 C ATOM 276 C GLY A 148 3.697 4.100 11.056 1.00 0.00 C ATOM 277 O GLY A 148 3.003 4.666 11.897 1.00 0.00 O ATOM 0 H GLY A 148 6.429 3.057 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.669 4.317 11.877 1.00 0.00 H new ATOM 0 HA3 GLY A 148 5.209 5.598 10.773 1.00 0.00 H new ATOM 281 N VAL A 149 3.211 3.126 10.274 1.00 0.00 N ATOM 282 CA VAL A 149 1.819 2.691 10.332 1.00 0.00 C ATOM 283 C VAL A 149 1.739 1.164 10.362 1.00 0.00 C ATOM 284 O VAL A 149 2.487 0.477 9.673 1.00 0.00 O ATOM 285 CB VAL A 149 1.050 3.275 9.136 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.372 2.710 9.054 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.991 4.807 9.191 1.00 0.00 C ATOM 0 H VAL A 149 3.774 2.623 9.588 1.00 0.00 H new ATOM 0 HA VAL A 149 1.358 3.059 11.249 1.00 0.00 H new ATOM 0 HB VAL A 149 1.599 2.981 8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.887 3.144 8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.327 1.627 8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.915 2.956 9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.439 5.181 8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.488 5.119 10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.003 5.211 9.177 1.00 0.00 H new ATOM 297 N TYR A 150 0.817 0.620 11.161 1.00 0.00 N ATOM 298 CA TYR A 150 0.617 -0.817 11.251 1.00 0.00 C ATOM 299 C TYR A 150 0.189 -1.371 9.891 1.00 0.00 C ATOM 300 O TYR A 150 -0.853 -0.986 9.351 1.00 0.00 O ATOM 301 CB TYR A 150 -0.380 -1.140 12.365 1.00 0.00 C ATOM 302 CG TYR A 150 0.212 -0.969 13.753 1.00 0.00 C ATOM 303 CD1 TYR A 150 1.238 -1.834 14.177 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.238 0.051 14.611 1.00 0.00 C ATOM 305 CE1 TYR A 150 1.837 -1.655 15.435 1.00 0.00 C ATOM 306 CE2 TYR A 150 0.361 0.229 15.870 1.00 0.00 C ATOM 307 CZ TYR A 150 1.407 -0.617 16.276 1.00 0.00 C ATOM 308 OH TYR A 150 2.009 -0.437 17.484 1.00 0.00 O ATOM 0 H TYR A 150 0.195 1.165 11.758 1.00 0.00 H new ATOM 0 HA TYR A 150 1.554 -1.307 11.514 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.252 -0.493 12.265 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.729 -2.166 12.248 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.566 -2.637 13.534 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -1.045 0.698 14.302 1.00 0.00 H new ATOM 0 HE1 TYR A 150 2.629 -2.316 15.755 1.00 0.00 H new ATOM 0 HE2 TYR A 150 0.017 1.016 16.525 1.00 0.00 H new ATOM 0 HH TYR A 150 1.597 0.323 17.945 1.00 0.00 H new ATOM 318 N SER A 151 1.023 -2.240 9.312 1.00 0.00 N ATOM 319 CA SER A 151 0.776 -2.839 8.014 1.00 0.00 C ATOM 320 C SER A 151 1.542 -4.155 7.871 1.00 0.00 C ATOM 321 O SER A 151 2.393 -4.486 8.702 1.00 0.00 O ATOM 322 CB SER A 151 1.087 -1.819 6.913 1.00 0.00 C ATOM 323 OG SER A 151 -0.014 -0.946 6.742 1.00 0.00 O ATOM 0 H SER A 151 1.896 -2.545 9.743 1.00 0.00 H new ATOM 0 HA SER A 151 -0.277 -3.102 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.978 -1.248 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 151 1.302 -2.335 5.977 1.00 0.00 H new ATOM 0 HG SER A 151 -0.554 -0.937 7.560 1.00 0.00 H new ATOM 329 N CYS A 152 1.194 -4.925 6.833 1.00 0.00 N ATOM 330 CA CYS A 152 1.758 -6.236 6.546 1.00 0.00 C ATOM 331 C CYS A 152 2.852 -6.164 5.477 1.00 0.00 C ATOM 332 O CYS A 152 2.798 -5.302 4.594 1.00 0.00 O ATOM 333 CB CYS A 152 0.647 -7.234 6.186 1.00 0.00 C ATOM 334 SG CYS A 152 -0.395 -6.836 4.755 1.00 0.00 S ATOM 0 H CYS A 152 0.490 -4.638 6.153 1.00 0.00 H new ATOM 0 HA CYS A 152 2.245 -6.602 7.450 1.00 0.00 H new ATOM 0 HB2 CYS A 152 1.110 -8.204 6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.001 -7.345 7.055 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.042 -5.732 4.983 1.00 0.00 H new ATOM 339 N GLU A 153 3.837 -7.070 5.574 1.00 0.00 N ATOM 340 CA GLU A 153 4.974 -7.149 4.658 1.00 0.00 C ATOM 341 C GLU A 153 4.551 -6.978 3.199 1.00 0.00 C ATOM 342 O GLU A 153 5.165 -6.205 2.476 1.00 0.00 O ATOM 343 CB GLU A 153 5.729 -8.485 4.788 1.00 0.00 C ATOM 344 CG GLU A 153 6.431 -8.741 6.130 1.00 0.00 C ATOM 345 CD GLU A 153 7.453 -7.677 6.526 1.00 0.00 C ATOM 346 OE1 GLU A 153 7.998 -7.025 5.608 1.00 0.00 O ATOM 347 OE2 GLU A 153 7.690 -7.560 7.748 1.00 0.00 O ATOM 0 H GLU A 153 3.861 -7.779 6.307 1.00 0.00 H new ATOM 0 HA GLU A 153 5.633 -6.329 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 153 5.023 -9.296 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 153 6.476 -8.534 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 153 5.676 -8.810 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 153 6.932 -9.708 6.084 1.00 0.00 H new ATOM 354 N GLY A 154 3.520 -7.706 2.762 1.00 0.00 N ATOM 355 CA GLY A 154 3.040 -7.654 1.386 1.00 0.00 C ATOM 356 C GLY A 154 2.798 -6.218 0.922 1.00 0.00 C ATOM 357 O GLY A 154 3.442 -5.741 -0.014 1.00 0.00 O ATOM 0 H GLY A 154 2.996 -8.348 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.768 -8.130 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 154 2.114 -8.224 1.302 1.00 0.00 H new ATOM 361 N CYS A 155 1.879 -5.517 1.592 1.00 0.00 N ATOM 362 CA CYS A 155 1.541 -4.138 1.277 1.00 0.00 C ATOM 363 C CYS A 155 2.775 -3.243 1.315 1.00 0.00 C ATOM 364 O CYS A 155 2.963 -2.389 0.452 1.00 0.00 O ATOM 365 CB CYS A 155 0.520 -3.616 2.291 1.00 0.00 C ATOM 366 SG CYS A 155 -1.146 -4.292 2.135 1.00 0.00 S ATOM 0 H CYS A 155 1.348 -5.900 2.374 1.00 0.00 H new ATOM 0 HA CYS A 155 1.124 -4.115 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.888 -3.831 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.463 -2.531 2.198 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.303 -5.261 2.988 1.00 0.00 H new ATOM 371 N LYS A 156 3.597 -3.404 2.349 1.00 0.00 N ATOM 372 CA LYS A 156 4.750 -2.544 2.556 1.00 0.00 C ATOM 373 C LYS A 156 5.833 -2.755 1.497 1.00 0.00 C ATOM 374 O LYS A 156 6.391 -1.778 0.994 1.00 0.00 O ATOM 375 CB LYS A 156 5.186 -2.653 4.015 1.00 0.00 C ATOM 376 CG LYS A 156 4.029 -2.174 4.918 1.00 0.00 C ATOM 377 CD LYS A 156 3.738 -0.670 4.788 1.00 0.00 C ATOM 378 CE LYS A 156 2.542 -0.360 3.876 1.00 0.00 C ATOM 379 NZ LYS A 156 2.717 0.918 3.163 1.00 0.00 N ATOM 0 H LYS A 156 3.481 -4.128 3.058 1.00 0.00 H new ATOM 0 HA LYS A 156 4.488 -1.498 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.449 -3.683 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.076 -2.048 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 156 3.128 -2.734 4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 156 4.270 -2.402 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 156 3.548 -0.257 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 156 4.623 -0.168 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 156 2.417 -1.166 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 156 1.630 -0.322 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 2.034 0.976 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 2.558 1.707 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 3.683 0.974 2.783 1.00 0.00 H new ATOM 393 N GLY A 157 6.093 -4.004 1.111 1.00 0.00 N ATOM 394 CA GLY A 157 7.031 -4.360 0.057 1.00 0.00 C ATOM 395 C GLY A 157 6.500 -3.867 -1.288 1.00 0.00 C ATOM 396 O GLY A 157 7.247 -3.292 -2.086 1.00 0.00 O ATOM 0 H GLY A 157 5.643 -4.814 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.006 -3.917 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.171 -5.441 0.030 1.00 0.00 H new ATOM 400 N PHE A 158 5.200 -4.083 -1.522 1.00 0.00 N ATOM 401 CA PHE A 158 4.494 -3.608 -2.703 1.00 0.00 C ATOM 402 C PHE A 158 4.706 -2.099 -2.813 1.00 0.00 C ATOM 403 O PHE A 158 5.155 -1.604 -3.847 1.00 0.00 O ATOM 404 CB PHE A 158 3.001 -3.965 -2.591 1.00 0.00 C ATOM 405 CG PHE A 158 2.062 -3.061 -3.363 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.946 -3.187 -4.758 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.398 -2.011 -2.697 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.153 -2.280 -5.479 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.655 -1.071 -3.429 1.00 0.00 C ATOM 410 CZ PHE A 158 0.525 -1.212 -4.818 1.00 0.00 C ATOM 0 H PHE A 158 4.604 -4.604 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 158 4.878 -4.085 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.862 -4.989 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.717 -3.944 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.466 -3.980 -5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.461 -1.929 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.026 -2.404 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.184 -0.241 -2.923 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.059 -0.498 -5.380 1.00 0.00 H new ATOM 420 N PHE A 159 4.401 -1.372 -1.734 1.00 0.00 N ATOM 421 CA PHE A 159 4.574 0.068 -1.665 1.00 0.00 C ATOM 422 C PHE A 159 6.032 0.421 -1.961 1.00 0.00 C ATOM 423 O PHE A 159 6.283 1.301 -2.774 1.00 0.00 O ATOM 424 CB PHE A 159 4.130 0.587 -0.296 1.00 0.00 C ATOM 425 CG PHE A 159 4.234 2.091 -0.124 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.164 2.921 -0.505 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.368 2.662 0.483 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.184 4.291 -0.185 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.337 3.999 0.909 1.00 0.00 C ATOM 430 CZ PHE A 159 4.256 4.823 0.555 1.00 0.00 C ATOM 0 H PHE A 159 4.023 -1.779 -0.878 1.00 0.00 H new ATOM 0 HA PHE A 159 3.949 0.552 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.096 0.286 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.733 0.104 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.325 2.506 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.262 2.072 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.378 4.933 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 159 6.144 4.394 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.248 5.862 0.850 1.00 0.00 H new ATOM 440 N LYS A 160 6.988 -0.269 -1.327 1.00 0.00 N ATOM 441 CA LYS A 160 8.416 -0.041 -1.537 1.00 0.00 C ATOM 442 C LYS A 160 8.740 -0.014 -3.037 1.00 0.00 C ATOM 443 O LYS A 160 9.309 0.947 -3.552 1.00 0.00 O ATOM 444 CB LYS A 160 9.246 -1.090 -0.758 1.00 0.00 C ATOM 445 CG LYS A 160 10.516 -0.518 -0.101 1.00 0.00 C ATOM 446 CD LYS A 160 11.074 -1.401 1.025 1.00 0.00 C ATOM 447 CE LYS A 160 11.708 -2.704 0.525 1.00 0.00 C ATOM 448 NZ LYS A 160 13.038 -2.467 -0.060 1.00 0.00 N ATOM 0 H LYS A 160 6.787 -1.005 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 160 8.691 0.937 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.618 -1.535 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.531 -1.892 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.283 -0.388 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.294 0.471 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 160 11.819 -0.835 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.269 -1.641 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 160 11.793 -3.409 1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 160 11.058 -3.164 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 13.439 -3.369 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 12.952 -1.813 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 13.664 -2.051 0.659 1.00 0.00 H new ATOM 462 N ARG A 161 8.362 -1.075 -3.751 1.00 0.00 N ATOM 463 CA ARG A 161 8.598 -1.196 -5.186 1.00 0.00 C ATOM 464 C ARG A 161 7.845 -0.113 -5.963 1.00 0.00 C ATOM 465 O ARG A 161 8.424 0.588 -6.796 1.00 0.00 O ATOM 466 CB ARG A 161 8.190 -2.608 -5.616 1.00 0.00 C ATOM 467 CG ARG A 161 9.161 -3.629 -5.010 1.00 0.00 C ATOM 468 CD ARG A 161 8.555 -5.032 -4.940 1.00 0.00 C ATOM 469 NE ARG A 161 9.503 -5.981 -4.341 1.00 0.00 N ATOM 470 CZ ARG A 161 9.852 -6.029 -3.046 1.00 0.00 C ATOM 471 NH1 ARG A 161 9.337 -5.170 -2.157 1.00 0.00 N ATOM 472 NH2 ARG A 161 10.739 -6.944 -2.644 1.00 0.00 N ATOM 0 H ARG A 161 7.881 -1.878 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 161 9.654 -1.045 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 161 7.172 -2.819 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 161 8.197 -2.685 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 161 10.073 -3.658 -5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 161 9.445 -3.307 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 161 7.638 -5.008 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 161 8.283 -5.366 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 161 9.934 -6.664 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 161 8.667 -4.463 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 161 9.615 -5.223 -1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 161 11.142 -7.595 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 161 11.013 -6.992 -1.663 1.00 0.00 H new ATOM 486 N THR A 162 6.550 0.018 -5.679 1.00 0.00 N ATOM 487 CA THR A 162 5.677 0.983 -6.322 1.00 0.00 C ATOM 488 C THR A 162 6.260 2.393 -6.252 1.00 0.00 C ATOM 489 O THR A 162 6.318 3.074 -7.269 1.00 0.00 O ATOM 490 CB THR A 162 4.284 0.914 -5.686 1.00 0.00 C ATOM 491 OG1 THR A 162 3.752 -0.383 -5.873 1.00 0.00 O ATOM 492 CG2 THR A 162 3.327 1.936 -6.296 1.00 0.00 C ATOM 0 H THR A 162 6.075 -0.556 -4.982 1.00 0.00 H new ATOM 0 HA THR A 162 5.590 0.733 -7.379 1.00 0.00 H new ATOM 0 HB THR A 162 4.389 1.141 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.146 -0.996 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.352 1.853 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.722 2.940 -6.143 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.224 1.745 -7.364 1.00 0.00 H new ATOM 500 N VAL A 163 6.680 2.825 -5.062 1.00 0.00 N ATOM 501 CA VAL A 163 7.246 4.142 -4.817 1.00 0.00 C ATOM 502 C VAL A 163 8.488 4.353 -5.671 1.00 0.00 C ATOM 503 O VAL A 163 8.549 5.341 -6.401 1.00 0.00 O ATOM 504 CB VAL A 163 7.540 4.305 -3.317 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.521 5.446 -3.005 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.227 4.566 -2.569 1.00 0.00 C ATOM 0 H VAL A 163 6.632 2.248 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 163 6.528 4.910 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 163 8.010 3.378 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.682 5.503 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.471 5.256 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.107 6.389 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.431 4.682 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.765 5.476 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.550 3.725 -2.719 1.00 0.00 H new ATOM 516 N ARG A 164 9.467 3.443 -5.588 1.00 0.00 N ATOM 517 CA ARG A 164 10.707 3.569 -6.356 1.00 0.00 C ATOM 518 C ARG A 164 10.441 3.856 -7.831 1.00 0.00 C ATOM 519 O ARG A 164 11.064 4.733 -8.425 1.00 0.00 O ATOM 520 CB ARG A 164 11.570 2.305 -6.235 1.00 0.00 C ATOM 521 CG ARG A 164 12.206 2.094 -4.856 1.00 0.00 C ATOM 522 CD ARG A 164 13.111 3.242 -4.396 1.00 0.00 C ATOM 523 NE ARG A 164 14.158 3.539 -5.385 1.00 0.00 N ATOM 524 CZ ARG A 164 14.254 4.644 -6.141 1.00 0.00 C ATOM 525 NH1 ARG A 164 13.562 5.754 -5.864 1.00 0.00 N ATOM 526 NH2 ARG A 164 15.083 4.615 -7.187 1.00 0.00 N ATOM 0 H ARG A 164 9.422 2.613 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 164 11.246 4.415 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.955 1.437 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.362 2.349 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.413 1.955 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 164 12.789 1.173 -4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 164 12.509 4.134 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.573 2.982 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 164 14.885 2.834 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 164 12.938 5.778 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 164 13.658 6.577 -6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 164 15.619 3.771 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 164 15.181 5.437 -7.783 1.00 0.00 H new ATOM 540 N LYS A 165 9.518 3.099 -8.421 1.00 0.00 N ATOM 541 CA LYS A 165 9.163 3.232 -9.828 1.00 0.00 C ATOM 542 C LYS A 165 8.020 4.236 -10.053 1.00 0.00 C ATOM 543 O LYS A 165 7.599 4.425 -11.191 1.00 0.00 O ATOM 544 CB LYS A 165 8.757 1.843 -10.332 1.00 0.00 C ATOM 545 CG LYS A 165 9.902 0.822 -10.225 1.00 0.00 C ATOM 546 CD LYS A 165 10.298 0.324 -11.622 1.00 0.00 C ATOM 547 CE LYS A 165 11.416 -0.724 -11.563 1.00 0.00 C ATOM 548 NZ LYS A 165 12.670 -0.166 -11.024 1.00 0.00 N ATOM 0 H LYS A 165 8.994 2.373 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 165 10.021 3.619 -10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 165 7.902 1.487 -9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.435 1.916 -11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.762 1.279 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 165 9.593 -0.019 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.425 -0.104 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 165 10.624 1.169 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 165 11.096 -1.561 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 165 11.596 -1.119 -12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 13.430 -0.871 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 12.928 0.688 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 12.539 0.079 -10.022 1.00 0.00 H new ATOM 562 N ASP A 166 7.480 4.825 -8.978 1.00 0.00 N ATOM 563 CA ASP A 166 6.291 5.674 -8.957 1.00 0.00 C ATOM 564 C ASP A 166 5.203 5.081 -9.855 1.00 0.00 C ATOM 565 O ASP A 166 4.607 5.761 -10.695 1.00 0.00 O ATOM 566 CB ASP A 166 6.622 7.136 -9.272 1.00 0.00 C ATOM 567 CG ASP A 166 5.418 8.054 -9.054 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.556 7.693 -8.219 1.00 0.00 O ATOM 569 OD2 ASP A 166 5.391 9.115 -9.714 1.00 0.00 O ATOM 0 H ASP A 166 7.887 4.713 -8.050 1.00 0.00 H new ATOM 0 HA ASP A 166 5.890 5.692 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.448 7.465 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 166 6.958 7.217 -10.306 1.00 0.00 H new ATOM 574 N LEU A 167 4.975 3.778 -9.675 1.00 0.00 N ATOM 575 CA LEU A 167 4.047 3.021 -10.495 1.00 0.00 C ATOM 576 C LEU A 167 2.621 3.519 -10.329 1.00 0.00 C ATOM 577 O LEU A 167 1.873 3.109 -9.443 1.00 0.00 O ATOM 578 CB LEU A 167 4.191 1.513 -10.279 1.00 0.00 C ATOM 579 CG LEU A 167 5.295 0.959 -11.187 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.824 -0.368 -10.638 1.00 0.00 C ATOM 581 CD2 LEU A 167 4.765 0.765 -12.616 1.00 0.00 C ATOM 0 H LEU A 167 5.434 3.223 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 167 4.309 3.195 -11.539 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.429 1.307 -9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.246 1.014 -10.495 1.00 0.00 H new ATOM 0 HG LEU A 167 6.114 1.678 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.607 -0.747 -11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.232 -0.212 -9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 167 5.010 -1.091 -10.588 1.00 0.00 H new ATOM 0 HD21 LEU A 167 5.560 0.371 -13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 167 3.931 0.063 -12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 167 4.427 1.723 -13.012 1.00 0.00 H new ATOM 593 N THR A 168 2.253 4.412 -11.236 1.00 0.00 N ATOM 594 CA THR A 168 0.946 5.018 -11.306 1.00 0.00 C ATOM 595 C THR A 168 0.062 4.034 -12.071 1.00 0.00 C ATOM 596 O THR A 168 -0.173 4.188 -13.267 1.00 0.00 O ATOM 597 CB THR A 168 1.098 6.399 -11.958 1.00 0.00 C ATOM 598 OG1 THR A 168 2.084 7.133 -11.247 1.00 0.00 O ATOM 599 CG2 THR A 168 -0.213 7.189 -11.912 1.00 0.00 C ATOM 0 H THR A 168 2.884 4.741 -11.966 1.00 0.00 H new ATOM 0 HA THR A 168 0.476 5.199 -10.339 1.00 0.00 H new ATOM 0 HB THR A 168 1.382 6.254 -13.000 1.00 0.00 H new ATOM 0 HG1 THR A 168 2.912 6.611 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 168 -0.068 8.162 -12.382 1.00 0.00 H new ATOM 0 HG22 THR A 168 -0.988 6.639 -12.446 1.00 0.00 H new ATOM 0 HG23 THR A 168 -0.517 7.329 -10.875 1.00 0.00 H new ATOM 607 N TYR A 169 -0.380 2.986 -11.370 1.00 0.00 N ATOM 608 CA TYR A 169 -1.181 1.922 -11.958 1.00 0.00 C ATOM 609 C TYR A 169 -2.611 2.411 -12.196 1.00 0.00 C ATOM 610 O TYR A 169 -2.956 3.571 -11.976 1.00 0.00 O ATOM 611 CB TYR A 169 -1.230 0.718 -10.999 1.00 0.00 C ATOM 612 CG TYR A 169 0.067 0.268 -10.356 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.851 -0.721 -10.980 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.328 0.619 -9.017 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.875 -1.367 -10.265 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.347 -0.032 -8.305 1.00 0.00 C ATOM 617 CZ TYR A 169 2.136 -1.008 -8.932 1.00 0.00 C ATOM 618 OH TYR A 169 3.104 -1.661 -8.231 1.00 0.00 O ATOM 0 H TYR A 169 -0.189 2.856 -10.376 1.00 0.00 H new ATOM 0 HA TYR A 169 -0.728 1.630 -12.905 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.934 0.955 -10.201 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.643 -0.129 -11.547 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.665 -0.984 -12.011 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.257 1.390 -8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.461 -2.139 -10.741 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.525 0.219 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 169 3.228 -1.226 -7.362 1.00 0.00 H new ATOM 628 N THR A 170 -3.474 1.491 -12.618 1.00 0.00 N ATOM 629 CA THR A 170 -4.895 1.732 -12.802 1.00 0.00 C ATOM 630 C THR A 170 -5.620 0.434 -12.441 1.00 0.00 C ATOM 631 O THR A 170 -5.090 -0.653 -12.674 1.00 0.00 O ATOM 632 CB THR A 170 -5.160 2.217 -14.233 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.342 3.341 -14.498 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.620 2.632 -14.436 1.00 0.00 C ATOM 0 H THR A 170 -3.195 0.537 -12.846 1.00 0.00 H new ATOM 0 HA THR A 170 -5.271 2.524 -12.155 1.00 0.00 H new ATOM 0 HB THR A 170 -4.937 1.391 -14.909 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.505 3.656 -15.412 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.763 2.969 -15.463 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.271 1.780 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.866 3.443 -13.751 1.00 0.00 H new ATOM 642 N CYS A 171 -6.813 0.550 -11.851 1.00 0.00 N ATOM 643 CA CYS A 171 -7.650 -0.575 -11.466 1.00 0.00 C ATOM 644 C CYS A 171 -8.845 -0.607 -12.407 1.00 0.00 C ATOM 645 O CYS A 171 -9.367 0.446 -12.765 1.00 0.00 O ATOM 646 CB CYS A 171 -8.108 -0.433 -10.012 1.00 0.00 C ATOM 647 SG CYS A 171 -9.156 -1.787 -9.420 1.00 0.00 S ATOM 0 H CYS A 171 -7.228 1.454 -11.625 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.089 -1.507 -11.539 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.228 -0.365 -9.372 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.653 0.505 -9.906 1.00 0.00 H new ATOM 0 HG CYS A 171 -10.232 -1.852 -10.147 1.00 0.00 H new ATOM 652 N ARG A 172 -9.286 -1.799 -12.809 1.00 0.00 N ATOM 653 CA ARG A 172 -10.420 -1.991 -13.697 1.00 0.00 C ATOM 654 C ARG A 172 -11.746 -1.768 -12.953 1.00 0.00 C ATOM 655 O ARG A 172 -12.660 -2.581 -13.057 1.00 0.00 O ATOM 656 CB ARG A 172 -10.335 -3.404 -14.295 1.00 0.00 C ATOM 657 CG ARG A 172 -8.919 -3.782 -14.772 1.00 0.00 C ATOM 658 CD ARG A 172 -8.068 -4.537 -13.730 1.00 0.00 C ATOM 659 NE ARG A 172 -6.983 -3.710 -13.178 1.00 0.00 N ATOM 660 CZ ARG A 172 -6.185 -4.081 -12.165 1.00 0.00 C ATOM 661 NH1 ARG A 172 -6.352 -5.258 -11.557 1.00 0.00 N ATOM 662 NH2 ARG A 172 -5.206 -3.275 -11.745 1.00 0.00 N ATOM 0 H ARG A 172 -8.851 -2.674 -12.517 1.00 0.00 H new ATOM 0 HA ARG A 172 -10.389 -1.258 -14.503 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -10.664 -4.127 -13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -11.025 -3.477 -15.135 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -9.004 -4.398 -15.667 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -8.393 -2.872 -15.061 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -8.711 -4.875 -12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -7.642 -5.428 -14.191 1.00 0.00 H new ATOM 0 HE ARG A 172 -6.827 -2.792 -13.594 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -7.094 -5.888 -11.861 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -5.738 -5.527 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -5.061 -2.371 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -4.603 -3.563 -10.974 1.00 0.00 H new ATOM 676 N ASP A 173 -11.855 -0.668 -12.202 1.00 0.00 N ATOM 677 CA ASP A 173 -13.006 -0.276 -11.402 1.00 0.00 C ATOM 678 C ASP A 173 -12.893 1.232 -11.174 1.00 0.00 C ATOM 679 O ASP A 173 -11.856 1.823 -11.469 1.00 0.00 O ATOM 680 CB ASP A 173 -12.998 -0.987 -10.042 1.00 0.00 C ATOM 681 CG ASP A 173 -13.173 -2.500 -10.126 1.00 0.00 C ATOM 682 OD1 ASP A 173 -14.340 -2.926 -10.266 1.00 0.00 O ATOM 683 OD2 ASP A 173 -12.141 -3.199 -10.022 1.00 0.00 O ATOM 0 H ASP A 173 -11.094 0.008 -12.136 1.00 0.00 H new ATOM 0 HA ASP A 173 -13.928 -0.545 -11.917 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.057 -0.769 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.795 -0.574 -9.424 1.00 0.00 H new ATOM 688 N ASN A 174 -13.934 1.852 -10.615 1.00 0.00 N ATOM 689 CA ASN A 174 -13.911 3.271 -10.299 1.00 0.00 C ATOM 690 C ASN A 174 -13.138 3.493 -8.998 1.00 0.00 C ATOM 691 O ASN A 174 -12.891 2.564 -8.228 1.00 0.00 O ATOM 692 CB ASN A 174 -15.339 3.832 -10.231 1.00 0.00 C ATOM 693 CG ASN A 174 -15.826 4.276 -11.606 1.00 0.00 C ATOM 694 OD1 ASN A 174 -15.546 5.393 -12.029 1.00 0.00 O ATOM 695 ND2 ASN A 174 -16.552 3.418 -12.317 1.00 0.00 N ATOM 0 H ASN A 174 -14.807 1.384 -10.372 1.00 0.00 H new ATOM 0 HA ASN A 174 -13.396 3.815 -11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -16.012 3.073 -9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -15.368 4.677 -9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -16.893 3.682 -13.242 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -16.768 2.496 -11.938 1.00 0.00 H new ATOM 702 N LYS A 175 -12.752 4.746 -8.751 1.00 0.00 N ATOM 703 CA LYS A 175 -11.952 5.150 -7.597 1.00 0.00 C ATOM 704 C LYS A 175 -12.567 4.789 -6.237 1.00 0.00 C ATOM 705 O LYS A 175 -11.865 4.796 -5.231 1.00 0.00 O ATOM 706 CB LYS A 175 -11.614 6.644 -7.686 1.00 0.00 C ATOM 707 CG LYS A 175 -10.889 6.981 -8.998 1.00 0.00 C ATOM 708 CD LYS A 175 -10.235 8.366 -8.905 1.00 0.00 C ATOM 709 CE LYS A 175 -9.616 8.795 -10.242 1.00 0.00 C ATOM 710 NZ LYS A 175 -8.603 7.835 -10.718 1.00 0.00 N ATOM 0 H LYS A 175 -12.994 5.525 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 175 -11.033 4.566 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -12.530 7.230 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -10.988 6.927 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.130 6.226 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -11.596 6.960 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -10.980 9.100 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -9.464 8.353 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -10.402 8.892 -10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -9.159 9.778 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -8.025 8.279 -11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -7.992 7.554 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -9.077 6.994 -11.105 1.00 0.00 H new ATOM 724 N ASP A 176 -13.853 4.424 -6.195 1.00 0.00 N ATOM 725 CA ASP A 176 -14.517 3.990 -4.971 1.00 0.00 C ATOM 726 C ASP A 176 -14.135 2.547 -4.613 1.00 0.00 C ATOM 727 O ASP A 176 -14.557 2.046 -3.574 1.00 0.00 O ATOM 728 CB ASP A 176 -16.038 4.112 -5.128 1.00 0.00 C ATOM 729 CG ASP A 176 -16.584 3.114 -6.143 1.00 0.00 C ATOM 730 OD1 ASP A 176 -16.148 3.209 -7.311 1.00 0.00 O ATOM 731 OD2 ASP A 176 -17.416 2.274 -5.739 1.00 0.00 O ATOM 0 H ASP A 176 -14.461 4.423 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 176 -14.187 4.636 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -16.517 3.948 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -16.291 5.125 -5.442 1.00 0.00 H new ATOM 736 N CYS A 177 -13.352 1.868 -5.460 1.00 0.00 N ATOM 737 CA CYS A 177 -12.884 0.505 -5.249 1.00 0.00 C ATOM 738 C CYS A 177 -11.838 0.455 -4.127 1.00 0.00 C ATOM 739 O CYS A 177 -10.663 0.183 -4.356 1.00 0.00 O ATOM 740 CB CYS A 177 -12.347 -0.008 -6.586 1.00 0.00 C ATOM 741 SG CYS A 177 -11.666 -1.683 -6.614 1.00 0.00 S ATOM 0 H CYS A 177 -13.020 2.270 -6.337 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.696 -0.143 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -13.155 0.041 -7.316 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.571 0.678 -6.924 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.789 -1.779 -7.569 1.00 0.00 H new ATOM 746 N LEU A 178 -12.272 0.726 -2.899 1.00 0.00 N ATOM 747 CA LEU A 178 -11.404 0.711 -1.731 1.00 0.00 C ATOM 748 C LEU A 178 -10.885 -0.705 -1.462 1.00 0.00 C ATOM 749 O LEU A 178 -11.485 -1.699 -1.875 1.00 0.00 O ATOM 750 CB LEU A 178 -12.147 1.253 -0.500 1.00 0.00 C ATOM 751 CG LEU A 178 -12.606 2.716 -0.633 1.00 0.00 C ATOM 752 CD1 LEU A 178 -13.385 3.109 0.626 1.00 0.00 C ATOM 753 CD2 LEU A 178 -11.429 3.682 -0.821 1.00 0.00 C ATOM 0 H LEU A 178 -13.241 0.963 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.550 1.358 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.019 0.626 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -11.497 1.166 0.370 1.00 0.00 H new ATOM 0 HG LEU A 178 -13.235 2.789 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -13.715 4.144 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -14.254 2.459 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -12.742 3.003 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -11.805 4.701 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -10.762 3.615 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -10.882 3.417 -1.726 1.00 0.00 H new ATOM 765 N ILE A 179 -9.759 -0.788 -0.751 1.00 0.00 N ATOM 766 CA ILE A 179 -9.147 -2.049 -0.371 1.00 0.00 C ATOM 767 C ILE A 179 -9.775 -2.509 0.943 1.00 0.00 C ATOM 768 O ILE A 179 -10.039 -1.693 1.825 1.00 0.00 O ATOM 769 CB ILE A 179 -7.628 -1.889 -0.252 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.012 -1.308 -1.532 1.00 0.00 C ATOM 771 CG2 ILE A 179 -6.956 -3.226 0.095 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.285 -2.140 -2.788 1.00 0.00 C ATOM 0 H ILE A 179 -9.246 0.030 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.326 -2.807 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 179 -7.447 -1.184 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -7.400 -0.301 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -5.934 -1.218 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -5.878 -3.082 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.343 -3.592 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.169 -3.954 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -6.817 -1.663 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -6.872 -3.141 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.360 -2.209 -2.952 1.00 0.00 H new ATOM 784 N ASP A 180 -10.002 -3.818 1.068 1.00 0.00 N ATOM 785 CA ASP A 180 -10.583 -4.472 2.227 1.00 0.00 C ATOM 786 C ASP A 180 -10.050 -5.903 2.246 1.00 0.00 C ATOM 787 O ASP A 180 -9.424 -6.338 1.279 1.00 0.00 O ATOM 788 CB ASP A 180 -12.118 -4.477 2.120 1.00 0.00 C ATOM 789 CG ASP A 180 -12.720 -3.083 2.269 1.00 0.00 C ATOM 790 OD1 ASP A 180 -12.860 -2.652 3.434 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.045 -2.487 1.219 1.00 0.00 O ATOM 0 H ASP A 180 -9.772 -4.477 0.324 1.00 0.00 H new ATOM 0 HA ASP A 180 -10.317 -3.947 3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.410 -4.894 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.530 -5.131 2.888 1.00 0.00 H new ATOM 921 N CYS A 187 -5.249 -5.325 -7.343 1.00 0.00 N ATOM 922 CA CYS A 187 -5.846 -4.015 -7.168 1.00 0.00 C ATOM 923 C CYS A 187 -4.744 -3.013 -6.789 1.00 0.00 C ATOM 924 O CYS A 187 -4.834 -2.273 -5.809 1.00 0.00 O ATOM 925 CB CYS A 187 -6.950 -4.209 -6.119 1.00 0.00 C ATOM 926 SG CYS A 187 -8.196 -2.917 -6.015 1.00 0.00 S ATOM 0 HA CYS A 187 -6.300 -3.596 -8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.454 -5.153 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.478 -4.307 -5.141 1.00 0.00 H new ATOM 0 HG CYS A 187 -8.521 -2.530 -7.213 1.00 0.00 H new ATOM 931 N GLN A 188 -3.683 -3.028 -7.604 1.00 0.00 N ATOM 932 CA GLN A 188 -2.456 -2.263 -7.427 1.00 0.00 C ATOM 933 C GLN A 188 -2.729 -0.776 -7.183 1.00 0.00 C ATOM 934 O GLN A 188 -2.337 -0.229 -6.155 1.00 0.00 O ATOM 935 CB GLN A 188 -1.528 -2.454 -8.641 1.00 0.00 C ATOM 936 CG GLN A 188 -1.240 -3.909 -9.037 1.00 0.00 C ATOM 937 CD GLN A 188 -0.658 -4.734 -7.896 1.00 0.00 C ATOM 938 OE1 GLN A 188 -1.387 -5.405 -7.171 1.00 0.00 O ATOM 939 NE2 GLN A 188 0.660 -4.703 -7.727 1.00 0.00 N ATOM 0 H GLN A 188 -3.662 -3.605 -8.445 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.959 -2.645 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.971 -1.945 -9.497 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.580 -1.959 -8.431 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -2.163 -4.375 -9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -0.545 -3.920 -9.877 1.00 0.00 H new ATOM 0 HE21 GLN A 188 1.240 -4.136 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 188 1.091 -5.246 -6.979 1.00 0.00 H new ATOM 948 N TYR A 189 -3.391 -0.120 -8.140 1.00 0.00 N ATOM 949 CA TYR A 189 -3.704 1.301 -8.073 1.00 0.00 C ATOM 950 C TYR A 189 -4.340 1.652 -6.737 1.00 0.00 C ATOM 951 O TYR A 189 -3.811 2.460 -5.979 1.00 0.00 O ATOM 952 CB TYR A 189 -4.650 1.664 -9.221 1.00 0.00 C ATOM 953 CG TYR A 189 -5.204 3.076 -9.182 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.331 4.181 -9.161 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.595 3.286 -9.132 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.848 5.485 -9.062 1.00 0.00 C ATOM 957 CE2 TYR A 189 -7.109 4.591 -9.044 1.00 0.00 C ATOM 958 CZ TYR A 189 -6.236 5.689 -8.988 1.00 0.00 C ATOM 959 OH TYR A 189 -6.737 6.932 -8.739 1.00 0.00 O ATOM 0 H TYR A 189 -3.727 -0.571 -8.991 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.780 1.872 -8.166 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.121 1.525 -10.164 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.485 0.963 -9.217 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.264 4.027 -9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.269 2.442 -9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -4.177 6.331 -9.043 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -8.177 4.749 -9.019 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.253 7.336 -7.989 1.00 0.00 H new ATOM 969 N CYS A 190 -5.481 1.030 -6.457 1.00 0.00 N ATOM 970 CA CYS A 190 -6.225 1.253 -5.238 1.00 0.00 C ATOM 971 C CYS A 190 -5.333 1.016 -4.013 1.00 0.00 C ATOM 972 O CYS A 190 -5.373 1.824 -3.094 1.00 0.00 O ATOM 973 CB CYS A 190 -7.464 0.366 -5.270 1.00 0.00 C ATOM 974 SG CYS A 190 -8.614 0.686 -6.643 1.00 0.00 S ATOM 0 H CYS A 190 -5.914 0.350 -7.082 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.555 2.289 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.144 -0.675 -5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.003 0.489 -4.330 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.671 -0.359 -7.414 1.00 0.00 H new ATOM 979 N ARG A 191 -4.498 -0.033 -3.985 1.00 0.00 N ATOM 980 CA ARG A 191 -3.579 -0.217 -2.859 1.00 0.00 C ATOM 981 C ARG A 191 -2.600 0.954 -2.741 1.00 0.00 C ATOM 982 O ARG A 191 -2.375 1.446 -1.636 1.00 0.00 O ATOM 983 CB ARG A 191 -2.831 -1.556 -2.914 1.00 0.00 C ATOM 984 CG ARG A 191 -3.688 -2.711 -2.385 1.00 0.00 C ATOM 985 CD ARG A 191 -2.872 -4.001 -2.271 1.00 0.00 C ATOM 986 NE ARG A 191 -2.685 -4.636 -3.580 1.00 0.00 N ATOM 987 CZ ARG A 191 -3.493 -5.570 -4.102 1.00 0.00 C ATOM 988 NH1 ARG A 191 -4.640 -5.924 -3.508 1.00 0.00 N ATOM 989 NH2 ARG A 191 -3.155 -6.173 -5.237 1.00 0.00 N ATOM 0 H ARG A 191 -4.441 -0.748 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.196 -0.239 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.535 -1.765 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -1.915 -1.485 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.095 -2.448 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.536 -2.872 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -1.900 -3.780 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.377 -4.694 -1.598 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.880 -4.345 -4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -4.920 -5.479 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -5.234 -6.638 -3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -2.284 -5.925 -5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -3.766 -6.884 -5.638 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.017 1.415 -3.852 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.088 2.540 -3.817 1.00 0.00 C ATOM 1005 C TYR A 192 -1.807 3.780 -3.273 1.00 0.00 C ATOM 1006 O TYR A 192 -1.332 4.421 -2.339 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.483 2.776 -5.212 1.00 0.00 C ATOM 1008 CG TYR A 192 0.595 3.845 -5.340 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.509 4.104 -4.295 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.805 4.442 -6.598 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.581 4.993 -4.496 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.878 5.331 -6.798 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.766 5.609 -5.745 1.00 0.00 C ATOM 1014 OH TYR A 192 3.841 6.427 -5.942 1.00 0.00 O ATOM 0 H TYR A 192 -2.174 1.026 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.258 2.317 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.064 1.832 -5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.295 3.034 -5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.385 3.618 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 192 0.137 4.216 -7.416 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.265 5.203 -3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 192 2.019 5.799 -7.761 1.00 0.00 H new ATOM 0 HH TYR A 192 3.843 6.748 -6.868 1.00 0.00 H new ATOM 1024 N GLN A 193 -2.975 4.098 -3.835 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.802 5.213 -3.403 1.00 0.00 C ATOM 1026 C GLN A 193 -4.146 5.094 -1.915 1.00 0.00 C ATOM 1027 O GLN A 193 -4.012 6.061 -1.170 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.075 5.254 -4.258 1.00 0.00 C ATOM 1029 CG GLN A 193 -4.836 5.505 -5.755 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.419 6.932 -6.094 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -5.214 7.711 -6.613 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -3.155 7.277 -5.866 1.00 0.00 N ATOM 0 H GLN A 193 -3.374 3.576 -4.615 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.250 6.143 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.605 4.308 -4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.730 6.035 -3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.065 4.820 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.748 5.266 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -2.515 6.611 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -2.826 8.207 -6.124 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.576 3.911 -1.471 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.936 3.655 -0.089 1.00 0.00 C ATOM 1043 C LYS A 194 -3.715 3.920 0.794 1.00 0.00 C ATOM 1044 O LYS A 194 -3.805 4.664 1.764 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.489 2.224 0.009 1.00 0.00 C ATOM 1046 CG LYS A 194 -5.985 1.797 1.394 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.217 2.579 1.868 1.00 0.00 C ATOM 1048 CE LYS A 194 -7.729 2.053 3.217 1.00 0.00 C ATOM 1049 NZ LYS A 194 -8.216 0.662 3.139 1.00 0.00 N ATOM 0 H LYS A 194 -4.683 3.097 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.722 4.321 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -6.312 2.123 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.710 1.531 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.224 0.734 1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -5.180 1.929 2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -6.966 3.636 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.008 2.502 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -6.927 2.112 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -8.535 2.696 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -8.761 0.436 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -8.825 0.554 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -7.406 0.014 3.063 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.557 3.352 0.445 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.317 3.583 1.177 1.00 0.00 C ATOM 1065 C ALA A 195 -1.034 5.084 1.287 1.00 0.00 C ATOM 1066 O ALA A 195 -0.800 5.604 2.378 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.166 2.845 0.489 1.00 0.00 C ATOM 0 H ALA A 195 -2.457 2.722 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.417 3.192 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.759 3.020 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.379 1.776 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.056 3.212 -0.531 1.00 0.00 H new ATOM 1073 N LEU A 196 -1.072 5.787 0.153 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.844 7.220 0.109 1.00 0.00 C ATOM 1075 C LEU A 196 -1.831 7.972 1.005 1.00 0.00 C ATOM 1076 O LEU A 196 -1.433 8.908 1.694 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.926 7.708 -1.342 1.00 0.00 C ATOM 1078 CG LEU A 196 0.259 7.251 -2.214 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.081 7.496 -3.687 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.552 7.997 -1.869 1.00 0.00 C ATOM 0 H LEU A 196 -1.263 5.371 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 196 0.154 7.427 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.854 7.347 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.972 8.797 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 196 0.424 6.191 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.753 7.175 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.973 6.929 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.265 8.558 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.359 7.641 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.408 9.066 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.810 7.815 -0.826 1.00 0.00 H new ATOM 1092 N ALA A 197 -3.105 7.578 0.998 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.165 8.215 1.777 1.00 0.00 C ATOM 1094 C ALA A 197 -3.792 8.409 3.250 1.00 0.00 C ATOM 1095 O ALA A 197 -3.966 9.506 3.779 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.484 7.451 1.633 1.00 0.00 C ATOM 0 H ALA A 197 -3.435 6.791 0.439 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.298 9.215 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.257 7.945 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.782 7.434 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.353 6.429 1.990 1.00 0.00 H new ATOM 1102 N MET A 198 -3.268 7.378 3.926 1.00 0.00 N ATOM 1103 CA MET A 198 -2.872 7.507 5.332 1.00 0.00 C ATOM 1104 C MET A 198 -1.546 8.263 5.504 1.00 0.00 C ATOM 1105 O MET A 198 -1.051 8.383 6.622 1.00 0.00 O ATOM 1106 CB MET A 198 -2.797 6.140 6.032 1.00 0.00 C ATOM 1107 CG MET A 198 -4.161 5.454 6.192 1.00 0.00 C ATOM 1108 SD MET A 198 -4.852 4.624 4.742 1.00 0.00 S ATOM 1109 CE MET A 198 -3.548 3.415 4.429 1.00 0.00 C ATOM 0 H MET A 198 -3.110 6.453 3.525 1.00 0.00 H new ATOM 0 HA MET A 198 -3.654 8.098 5.809 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.136 5.486 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.348 6.270 7.017 1.00 0.00 H new ATOM 0 HG2 MET A 198 -4.076 4.719 6.992 1.00 0.00 H new ATOM 0 HG3 MET A 198 -4.878 6.205 6.524 1.00 0.00 H new ATOM 0 HE1 MET A 198 -3.964 2.561 3.895 1.00 0.00 H new ATOM 0 HE2 MET A 198 -2.764 3.873 3.826 1.00 0.00 H new ATOM 0 HE3 MET A 198 -3.127 3.080 5.377 1.00 0.00 H new ATOM 1119 N GLY A 199 -0.951 8.772 4.424 1.00 0.00 N ATOM 1120 CA GLY A 199 0.300 9.501 4.486 1.00 0.00 C ATOM 1121 C GLY A 199 1.464 8.550 4.730 1.00 0.00 C ATOM 1122 O GLY A 199 2.366 8.869 5.505 1.00 0.00 O ATOM 0 H GLY A 199 -1.331 8.685 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.457 10.044 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 199 0.256 10.242 5.284 1.00 0.00 H new ATOM 1126 N MET A 200 1.461 7.390 4.060 1.00 0.00 N ATOM 1127 CA MET A 200 2.565 6.448 4.166 1.00 0.00 C ATOM 1128 C MET A 200 3.849 7.160 3.737 1.00 0.00 C ATOM 1129 O MET A 200 3.903 7.780 2.674 1.00 0.00 O ATOM 1130 CB MET A 200 2.303 5.203 3.313 1.00 0.00 C ATOM 1131 CG MET A 200 1.365 4.234 4.034 1.00 0.00 C ATOM 1132 SD MET A 200 2.153 3.307 5.372 1.00 0.00 S ATOM 1133 CE MET A 200 0.794 2.207 5.809 1.00 0.00 C ATOM 0 H MET A 200 0.706 7.089 3.443 1.00 0.00 H new ATOM 0 HA MET A 200 2.667 6.108 5.197 1.00 0.00 H new ATOM 0 HB2 MET A 200 1.865 5.497 2.359 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.247 4.704 3.091 1.00 0.00 H new ATOM 0 HG2 MET A 200 0.523 4.794 4.441 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.959 3.530 3.308 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.096 1.567 6.638 1.00 0.00 H new ATOM 0 HE2 MET A 200 -0.073 2.799 6.104 1.00 0.00 H new ATOM 0 HE3 MET A 200 0.536 1.589 4.949 1.00 0.00 H new ATOM 1143 N LYS A 201 4.870 7.109 4.593 1.00 0.00 N ATOM 1144 CA LYS A 201 6.114 7.816 4.381 1.00 0.00 C ATOM 1145 C LYS A 201 6.910 7.222 3.224 1.00 0.00 C ATOM 1146 O LYS A 201 7.807 6.411 3.443 1.00 0.00 O ATOM 1147 CB LYS A 201 6.914 7.846 5.689 1.00 0.00 C ATOM 1148 CG LYS A 201 6.109 8.411 6.868 1.00 0.00 C ATOM 1149 CD LYS A 201 5.569 9.829 6.629 1.00 0.00 C ATOM 1150 CE LYS A 201 4.763 10.331 7.832 1.00 0.00 C ATOM 1151 NZ LYS A 201 3.552 9.517 8.051 1.00 0.00 N ATOM 0 H LYS A 201 4.847 6.569 5.458 1.00 0.00 H new ATOM 0 HA LYS A 201 5.894 8.844 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 201 7.243 6.835 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.811 8.448 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 201 5.272 7.744 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.740 8.418 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 201 6.399 10.508 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.939 9.835 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 201 5.387 10.304 8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 201 4.479 11.371 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 2.864 10.061 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 3.131 9.267 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 3.805 8.649 8.564 1.00 0.00 H new ATOM 1165 N ARG A 202 6.610 7.664 1.998 1.00 0.00 N ATOM 1166 CA ARG A 202 7.321 7.281 0.784 1.00 0.00 C ATOM 1167 C ARG A 202 8.833 7.355 1.029 1.00 0.00 C ATOM 1168 O ARG A 202 9.579 6.476 0.617 1.00 0.00 O ATOM 1169 CB ARG A 202 6.920 8.202 -0.376 1.00 0.00 C ATOM 1170 CG ARG A 202 5.427 8.150 -0.721 1.00 0.00 C ATOM 1171 CD ARG A 202 5.095 9.021 -1.943 1.00 0.00 C ATOM 1172 NE ARG A 202 5.244 8.280 -3.208 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.298 8.294 -4.036 1.00 0.00 C ATOM 1174 NH1 ARG A 202 7.390 9.012 -3.754 1.00 0.00 N ATOM 1175 NH2 ARG A 202 6.249 7.566 -5.157 1.00 0.00 N ATOM 0 H ARG A 202 5.845 8.315 1.823 1.00 0.00 H new ATOM 0 HA ARG A 202 7.055 6.258 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 202 7.189 9.227 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 202 7.497 7.930 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 202 5.135 7.119 -0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 202 4.844 8.487 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 202 4.073 9.390 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 202 5.749 9.893 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 202 4.458 7.691 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 202 7.431 9.562 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 202 8.182 9.010 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 202 5.419 7.013 -5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 202 7.042 7.564 -5.799 1.00 0.00 H new ATOM 1189 N GLU A 203 9.277 8.389 1.748 1.00 0.00 N ATOM 1190 CA GLU A 203 10.661 8.611 2.123 1.00 0.00 C ATOM 1191 C GLU A 203 11.306 7.337 2.687 1.00 0.00 C ATOM 1192 O GLU A 203 12.425 6.984 2.319 1.00 0.00 O ATOM 1193 CB GLU A 203 10.713 9.731 3.174 1.00 0.00 C ATOM 1194 CG GLU A 203 9.996 11.029 2.764 1.00 0.00 C ATOM 1195 CD GLU A 203 8.557 11.082 3.281 1.00 0.00 C ATOM 1196 OE1 GLU A 203 7.686 10.500 2.596 1.00 0.00 O ATOM 1197 OE2 GLU A 203 8.359 11.668 4.366 1.00 0.00 O ATOM 0 H GLU A 203 8.653 9.118 2.094 1.00 0.00 H new ATOM 0 HA GLU A 203 11.222 8.896 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.270 9.363 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.757 9.961 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.550 11.885 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.993 11.113 1.677 1.00 0.00 H new ATOM 1204 N ALA A 204 10.586 6.638 3.572 1.00 0.00 N ATOM 1205 CA ALA A 204 11.059 5.427 4.228 1.00 0.00 C ATOM 1206 C ALA A 204 11.474 4.342 3.234 1.00 0.00 C ATOM 1207 O ALA A 204 12.344 3.531 3.539 1.00 0.00 O ATOM 1208 CB ALA A 204 9.996 4.910 5.196 1.00 0.00 C ATOM 0 H ALA A 204 9.643 6.908 3.853 1.00 0.00 H new ATOM 0 HA ALA A 204 11.957 5.687 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.357 4.004 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 204 9.790 5.670 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.081 4.687 4.647 1.00 0.00 H new ATOM 1214 N VAL A 205 10.901 4.331 2.029 1.00 0.00 N ATOM 1215 CA VAL A 205 11.281 3.374 1.000 1.00 0.00 C ATOM 1216 C VAL A 205 12.774 3.504 0.692 1.00 0.00 C ATOM 1217 O VAL A 205 13.476 2.509 0.482 1.00 0.00 O ATOM 1218 CB VAL A 205 10.402 3.609 -0.237 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.870 2.845 -1.479 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.944 3.296 0.133 1.00 0.00 C ATOM 0 H VAL A 205 10.168 4.981 1.745 1.00 0.00 H new ATOM 0 HA VAL A 205 11.118 2.352 1.342 1.00 0.00 H new ATOM 0 HB VAL A 205 10.489 4.657 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 205 10.201 3.060 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.882 3.155 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.860 1.775 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.305 3.458 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.865 2.257 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.626 3.951 0.944 1.00 0.00 H new ATOM 1230 N GLN A 206 13.271 4.742 0.709 1.00 0.00 N ATOM 1231 CA GLN A 206 14.665 5.026 0.444 1.00 0.00 C ATOM 1232 C GLN A 206 15.543 4.741 1.669 1.00 0.00 C ATOM 1233 O GLN A 206 16.758 4.872 1.576 1.00 0.00 O ATOM 1234 CB GLN A 206 14.834 6.469 -0.037 1.00 0.00 C ATOM 1235 CG GLN A 206 13.827 6.901 -1.113 1.00 0.00 C ATOM 1236 CD GLN A 206 13.869 6.174 -2.457 1.00 0.00 C ATOM 1237 OE1 GLN A 206 12.936 6.317 -3.244 1.00 0.00 O ATOM 1238 NE2 GLN A 206 14.901 5.398 -2.777 1.00 0.00 N ATOM 0 H GLN A 206 12.710 5.570 0.908 1.00 0.00 H new ATOM 0 HA GLN A 206 14.999 4.359 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.742 7.138 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.843 6.592 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.825 6.786 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 206 13.973 7.964 -1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 206 15.674 5.281 -2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 206 14.919 4.920 -3.678 1.00 0.00 H new ATOM 1247 N GLU A 207 14.965 4.331 2.809 1.00 0.00 N ATOM 1248 CA GLU A 207 15.755 4.006 3.993 1.00 0.00 C ATOM 1249 C GLU A 207 16.573 2.760 3.666 1.00 0.00 C ATOM 1250 O GLU A 207 17.760 2.680 3.981 1.00 0.00 O ATOM 1251 CB GLU A 207 14.838 3.810 5.211 1.00 0.00 C ATOM 1252 CG GLU A 207 15.596 3.717 6.546 1.00 0.00 C ATOM 1253 CD GLU A 207 16.362 2.407 6.733 1.00 0.00 C ATOM 1254 OE1 GLU A 207 15.778 1.352 6.400 1.00 0.00 O ATOM 1255 OE2 GLU A 207 17.514 2.486 7.210 1.00 0.00 O ATOM 0 H GLU A 207 13.958 4.219 2.930 1.00 0.00 H new ATOM 0 HA GLU A 207 16.433 4.819 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.132 4.639 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.252 2.901 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.297 4.549 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 207 14.886 3.831 7.365 1.00 0.00 H new