USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 175 LYS NZ :NH3+ 154:sc= -0.251 (180deg=-0.819) USER MOD Set 1.2: A 189 TYR OH : rot -46:sc= 1.25 USER MOD Set 1.3: A 193 GLN : amide:sc= -0.317 K(o=0.68,f=-3.3) USER MOD Set 2.1: A 162 THR OG1 : rot 82:sc= 2.05 USER MOD Set 2.2: A 169 TYR OH : rot 165:sc= 1.44 USER MOD Set 2.3: A 188 GLN : amide:sc= -0.379 X(o=3.1,f=3.2) USER MOD Set 3.1: A 171 CYS SG : rot 131:sc= 0.444 USER MOD Set 3.2: A 177 CYS SG : rot -162:sc= 0.323 USER MOD Set 3.3: A 187 CYS SG : rot -51:sc= 0.759 USER MOD Set 3.4: A 190 CYS SG : rot 115:sc= -2.17 USER MOD Set 4.1: A 147 TYR OH : rot 170:sc= 1.04 USER MOD Set 4.2: A 156 LYS NZ :NH3+ -143:sc= 0.0819 (180deg=-0.0505) USER MOD Set 5.1: A 143 SER OG : rot 76:sc= 0.764 USER MOD Set 5.2: A 146 HIS : no HE2:sc= 0.852 K(o=1.6,f=-10!) USER MOD Set 6.1: A 135 CYS SG : rot 29:sc= 0.516 USER MOD Set 6.2: A 138 CYS SG : rot 89:sc= 1.03 USER MOD Set 6.3: A 151 SER OG : rot 35:sc= 1.44 USER MOD Set 6.4: A 152 CYS SG : rot -63:sc= 0.446 USER MOD Set 6.5: A 155 CYS SG : rot 152:sc= 0.299 USER MOD Set 6.6: A 200 MET CE :methyl -167:sc= -0.352 (180deg=-0.769) USER MOD Set 7.1: A 133 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Set 7.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 78:sc= 0.527 USER MOD Single : A 145 LYS NZ :NH3+ -146:sc= 1.06 (180deg=0.108) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0875) USER MOD Single : A 168 THR OG1 : rot 61:sc= 0.432 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 174 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 192 TYR OH : rot 165:sc= 1.61 USER MOD Single : A 194 LYS NZ :NH3+ 178:sc= 0.289 (180deg=0.283) USER MOD Single : A 198 MET CE :methyl -151:sc= -1.22 (180deg=-2.96) USER MOD Single : A 201 LYS NZ :NH3+ -151:sc= 0.342 (180deg=0.0754) USER MOD Single : A 206 GLN : amide:sc= -2.58 K(o=-2.6,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -3.873 -4.560 15.482 1.00 0.00 N ATOM 58 CA HIS A 133 -3.276 -3.902 14.320 1.00 0.00 C ATOM 59 C HIS A 133 -3.662 -4.543 12.979 1.00 0.00 C ATOM 60 O HIS A 133 -2.992 -5.459 12.489 1.00 0.00 O ATOM 61 CB HIS A 133 -1.746 -3.901 14.466 1.00 0.00 C ATOM 62 CG HIS A 133 -1.188 -3.177 15.667 1.00 0.00 C ATOM 63 ND1 HIS A 133 -1.864 -2.332 16.516 1.00 0.00 N ATOM 64 CD2 HIS A 133 0.115 -3.218 16.085 1.00 0.00 C ATOM 65 CE1 HIS A 133 -0.995 -1.910 17.449 1.00 0.00 C ATOM 66 NE2 HIS A 133 0.230 -2.412 17.222 1.00 0.00 N ATOM 0 HA HIS A 133 -3.670 -2.886 14.301 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.405 -4.936 14.502 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -1.317 -3.455 13.568 1.00 0.00 H new ATOM 0 HD2 HIS A 133 0.914 -3.775 15.618 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.247 -1.256 18.270 1.00 0.00 H new ATOM 0 HE2 HIS A 133 1.074 -2.240 17.769 1.00 0.00 H new ATOM 74 N ILE A 134 -4.734 -4.051 12.358 1.00 0.00 N ATOM 75 CA ILE A 134 -5.173 -4.495 11.045 1.00 0.00 C ATOM 76 C ILE A 134 -4.496 -3.597 10.018 1.00 0.00 C ATOM 77 O ILE A 134 -4.344 -2.397 10.242 1.00 0.00 O ATOM 78 CB ILE A 134 -6.705 -4.484 10.894 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.370 -3.301 11.621 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.270 -5.838 11.343 1.00 0.00 C ATOM 81 CD1 ILE A 134 -8.823 -3.096 11.184 1.00 0.00 C ATOM 0 H ILE A 134 -5.326 -3.325 12.761 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.886 -5.536 10.894 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.943 -4.336 9.841 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.337 -3.473 12.697 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -6.802 -2.391 11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.355 -5.833 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.849 -6.631 10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.008 -6.014 12.386 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -9.250 -2.251 11.724 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.856 -2.896 10.113 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -9.399 -3.995 11.404 1.00 0.00 H new ATOM 93 N CYS A 135 -4.054 -4.192 8.912 1.00 0.00 N ATOM 94 CA CYS A 135 -3.334 -3.491 7.875 1.00 0.00 C ATOM 95 C CYS A 135 -4.201 -2.381 7.311 1.00 0.00 C ATOM 96 O CYS A 135 -5.210 -2.667 6.672 1.00 0.00 O ATOM 97 CB CYS A 135 -2.920 -4.460 6.766 1.00 0.00 C ATOM 98 SG CYS A 135 -2.097 -3.658 5.366 1.00 0.00 S ATOM 0 H CYS A 135 -4.192 -5.184 8.718 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.432 -3.054 8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.253 -5.214 7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.805 -4.983 6.404 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.486 -2.587 5.777 1.00 0.00 H new ATOM 103 N ALA A 136 -3.797 -1.129 7.513 1.00 0.00 N ATOM 104 CA ALA A 136 -4.523 0.031 7.018 1.00 0.00 C ATOM 105 C ALA A 136 -4.963 -0.145 5.560 1.00 0.00 C ATOM 106 O ALA A 136 -6.058 0.252 5.168 1.00 0.00 O ATOM 107 CB ALA A 136 -3.617 1.255 7.171 1.00 0.00 C ATOM 0 H ALA A 136 -2.950 -0.892 8.029 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.437 0.159 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.137 2.141 6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.363 1.390 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.705 1.107 6.593 1.00 0.00 H new ATOM 113 N ILE A 137 -4.070 -0.713 4.747 1.00 0.00 N ATOM 114 CA ILE A 137 -4.271 -0.876 3.317 1.00 0.00 C ATOM 115 C ILE A 137 -5.211 -2.028 2.945 1.00 0.00 C ATOM 116 O ILE A 137 -5.871 -1.900 1.920 1.00 0.00 O ATOM 117 CB ILE A 137 -2.904 -0.969 2.607 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.086 0.313 2.854 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.079 -1.163 1.090 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.590 0.104 2.634 1.00 0.00 C ATOM 0 H ILE A 137 -3.175 -1.076 5.075 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.792 0.012 2.960 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.377 -1.831 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.441 1.100 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.255 0.657 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.100 -1.225 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -3.632 -2.083 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -3.629 -0.318 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.061 1.038 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.225 -0.663 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.414 -0.213 1.606 1.00 0.00 H new ATOM 132 N CYS A 138 -5.277 -3.138 3.701 1.00 0.00 N ATOM 133 CA CYS A 138 -6.093 -4.287 3.276 1.00 0.00 C ATOM 134 C CYS A 138 -6.709 -5.149 4.386 1.00 0.00 C ATOM 135 O CYS A 138 -7.203 -6.240 4.119 1.00 0.00 O ATOM 136 CB CYS A 138 -5.288 -5.140 2.288 1.00 0.00 C ATOM 137 SG CYS A 138 -3.778 -5.917 2.926 1.00 0.00 S ATOM 0 H CYS A 138 -4.788 -3.263 4.587 1.00 0.00 H new ATOM 0 HA CYS A 138 -6.971 -3.850 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -5.940 -5.926 1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.015 -4.512 1.440 1.00 0.00 H new ATOM 0 HG CYS A 138 -4.067 -7.082 3.426 1.00 0.00 H new ATOM 142 N GLY A 139 -6.720 -4.672 5.626 1.00 0.00 N ATOM 143 CA GLY A 139 -7.364 -5.337 6.756 1.00 0.00 C ATOM 144 C GLY A 139 -6.737 -6.659 7.216 1.00 0.00 C ATOM 145 O GLY A 139 -7.303 -7.332 8.074 1.00 0.00 O ATOM 0 H GLY A 139 -6.271 -3.792 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.368 -4.648 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.405 -5.525 6.494 1.00 0.00 H new ATOM 149 N ASP A 140 -5.578 -7.045 6.678 1.00 0.00 N ATOM 150 CA ASP A 140 -4.883 -8.270 7.063 1.00 0.00 C ATOM 151 C ASP A 140 -4.137 -8.066 8.381 1.00 0.00 C ATOM 152 O ASP A 140 -4.035 -6.948 8.875 1.00 0.00 O ATOM 153 CB ASP A 140 -3.917 -8.679 5.944 1.00 0.00 C ATOM 154 CG ASP A 140 -4.667 -9.294 4.771 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.116 -8.511 3.911 1.00 0.00 O ATOM 156 OD2 ASP A 140 -4.794 -10.538 4.767 1.00 0.00 O ATOM 0 H ASP A 140 -5.094 -6.510 5.957 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.610 -9.069 7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.358 -7.807 5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.190 -9.394 6.330 1.00 0.00 H new ATOM 161 N ARG A 141 -3.588 -9.140 8.951 1.00 0.00 N ATOM 162 CA ARG A 141 -2.817 -9.055 10.185 1.00 0.00 C ATOM 163 C ARG A 141 -1.559 -8.222 9.915 1.00 0.00 C ATOM 164 O ARG A 141 -0.733 -8.628 9.098 1.00 0.00 O ATOM 165 CB ARG A 141 -2.462 -10.480 10.648 1.00 0.00 C ATOM 166 CG ARG A 141 -1.673 -10.578 11.966 1.00 0.00 C ATOM 167 CD ARG A 141 -2.554 -10.417 13.211 1.00 0.00 C ATOM 168 NE ARG A 141 -3.055 -9.045 13.329 1.00 0.00 N ATOM 169 CZ ARG A 141 -4.283 -8.680 13.724 1.00 0.00 C ATOM 170 NH1 ARG A 141 -5.112 -9.547 14.315 1.00 0.00 N ATOM 171 NH2 ARG A 141 -4.662 -7.422 13.507 1.00 0.00 N ATOM 0 H ARG A 141 -3.666 -10.084 8.572 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.390 -8.572 10.977 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.386 -11.047 10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.882 -10.963 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.168 -11.543 12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.898 -9.812 11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -3.393 -11.111 13.159 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.981 -10.676 14.102 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.407 -8.295 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -4.815 -10.510 14.474 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -6.042 -9.246 14.607 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -4.024 -6.768 13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -5.590 -7.112 13.795 1.00 0.00 H new ATOM 185 N SER A 142 -1.398 -7.065 10.565 1.00 0.00 N ATOM 186 CA SER A 142 -0.209 -6.254 10.335 1.00 0.00 C ATOM 187 C SER A 142 1.028 -6.941 10.903 1.00 0.00 C ATOM 188 O SER A 142 0.967 -7.512 11.989 1.00 0.00 O ATOM 189 CB SER A 142 -0.339 -4.889 11.007 1.00 0.00 C ATOM 190 OG SER A 142 -1.500 -4.237 10.550 1.00 0.00 O ATOM 0 H SER A 142 -2.061 -6.680 11.238 1.00 0.00 H new ATOM 0 HA SER A 142 -0.109 -6.128 9.257 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.382 -5.010 12.089 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.539 -4.282 10.789 1.00 0.00 H new ATOM 0 HG SER A 142 -2.285 -4.610 11.003 1.00 0.00 H new ATOM 196 N SER A 143 2.159 -6.819 10.209 1.00 0.00 N ATOM 197 CA SER A 143 3.439 -7.300 10.694 1.00 0.00 C ATOM 198 C SER A 143 4.115 -6.175 11.481 1.00 0.00 C ATOM 199 O SER A 143 4.872 -6.455 12.407 1.00 0.00 O ATOM 200 CB SER A 143 4.292 -7.824 9.537 1.00 0.00 C ATOM 201 OG SER A 143 4.062 -7.088 8.351 1.00 0.00 O ATOM 0 H SER A 143 2.206 -6.380 9.290 1.00 0.00 H new ATOM 0 HA SER A 143 3.302 -8.146 11.367 1.00 0.00 H new ATOM 0 HB2 SER A 143 5.347 -7.765 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 143 4.066 -8.876 9.364 1.00 0.00 H new ATOM 0 HG SER A 143 4.518 -6.222 8.410 1.00 0.00 H new ATOM 207 N GLY A 144 3.843 -4.907 11.146 1.00 0.00 N ATOM 208 CA GLY A 144 4.415 -3.801 11.893 1.00 0.00 C ATOM 209 C GLY A 144 3.894 -2.448 11.421 1.00 0.00 C ATOM 210 O GLY A 144 3.160 -2.353 10.434 1.00 0.00 O ATOM 0 H GLY A 144 3.238 -4.633 10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.188 -3.925 12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.500 -3.823 11.795 1.00 0.00 H new ATOM 214 N LYS A 145 4.302 -1.396 12.138 1.00 0.00 N ATOM 215 CA LYS A 145 3.970 -0.009 11.847 1.00 0.00 C ATOM 216 C LYS A 145 4.883 0.449 10.706 1.00 0.00 C ATOM 217 O LYS A 145 5.781 1.271 10.881 1.00 0.00 O ATOM 218 CB LYS A 145 4.114 0.807 13.142 1.00 0.00 C ATOM 219 CG LYS A 145 3.499 2.208 13.037 1.00 0.00 C ATOM 220 CD LYS A 145 3.457 2.852 14.429 1.00 0.00 C ATOM 221 CE LYS A 145 2.752 4.213 14.424 1.00 0.00 C ATOM 222 NZ LYS A 145 3.503 5.233 13.676 1.00 0.00 N ATOM 0 H LYS A 145 4.892 -1.497 12.964 1.00 0.00 H new ATOM 0 HA LYS A 145 2.941 0.129 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 145 3.638 0.267 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.171 0.898 13.393 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.086 2.825 12.356 1.00 0.00 H new ATOM 0 HG3 LYS A 145 2.493 2.145 12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.944 2.183 15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 145 4.475 2.975 14.800 1.00 0.00 H new ATOM 0 HE2 LYS A 145 1.760 4.103 13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 145 2.612 4.550 15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 3.370 6.161 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 4.514 4.989 13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.156 5.271 12.696 1.00 0.00 H new ATOM 236 N HIS A 146 4.662 -0.124 9.525 1.00 0.00 N ATOM 237 CA HIS A 146 5.500 0.103 8.365 1.00 0.00 C ATOM 238 C HIS A 146 5.245 1.495 7.803 1.00 0.00 C ATOM 239 O HIS A 146 4.103 1.911 7.625 1.00 0.00 O ATOM 240 CB HIS A 146 5.210 -0.973 7.316 1.00 0.00 C ATOM 241 CG HIS A 146 5.405 -2.377 7.830 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.336 -2.784 8.760 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.694 -3.482 7.448 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.190 -4.110 8.924 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.202 -4.579 8.147 1.00 0.00 N ATOM 0 H HIS A 146 3.887 -0.764 9.352 1.00 0.00 H new ATOM 0 HA HIS A 146 6.550 0.042 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.184 -0.861 6.966 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.860 -0.815 6.455 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.013 -2.188 9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 146 3.884 -3.502 6.733 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.787 -4.715 9.590 1.00 0.00 H new ATOM 253 N TYR A 147 6.334 2.228 7.566 1.00 0.00 N ATOM 254 CA TYR A 147 6.316 3.594 7.063 1.00 0.00 C ATOM 255 C TYR A 147 5.346 4.475 7.863 1.00 0.00 C ATOM 256 O TYR A 147 4.717 5.375 7.305 1.00 0.00 O ATOM 257 CB TYR A 147 6.021 3.607 5.556 1.00 0.00 C ATOM 258 CG TYR A 147 6.671 2.501 4.741 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.051 2.240 4.853 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.889 1.730 3.865 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.658 1.283 4.022 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.490 0.735 3.078 1.00 0.00 C ATOM 263 CZ TYR A 147 7.880 0.549 3.115 1.00 0.00 C ATOM 264 OH TYR A 147 8.464 -0.389 2.320 1.00 0.00 O ATOM 0 H TYR A 147 7.277 1.874 7.725 1.00 0.00 H new ATOM 0 HA TYR A 147 7.306 4.028 7.203 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.942 3.548 5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.342 4.567 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.644 2.777 5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.825 1.903 3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.723 1.113 4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.880 0.111 2.442 1.00 0.00 H new ATOM 0 HH TYR A 147 7.770 -0.910 1.865 1.00 0.00 H new ATOM 274 N GLY A 148 5.244 4.209 9.173 1.00 0.00 N ATOM 275 CA GLY A 148 4.415 4.959 10.103 1.00 0.00 C ATOM 276 C GLY A 148 2.991 4.432 10.282 1.00 0.00 C ATOM 277 O GLY A 148 2.280 4.984 11.118 1.00 0.00 O ATOM 0 H GLY A 148 5.752 3.445 9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 148 4.906 4.968 11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.362 5.993 9.763 1.00 0.00 H new ATOM 281 N VAL A 149 2.550 3.396 9.556 1.00 0.00 N ATOM 282 CA VAL A 149 1.183 2.887 9.674 1.00 0.00 C ATOM 283 C VAL A 149 1.172 1.358 9.771 1.00 0.00 C ATOM 284 O VAL A 149 1.959 0.677 9.120 1.00 0.00 O ATOM 285 CB VAL A 149 0.356 3.405 8.485 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.976 2.671 8.328 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.098 4.915 8.592 1.00 0.00 C ATOM 0 H VAL A 149 3.125 2.894 8.879 1.00 0.00 H new ATOM 0 HA VAL A 149 0.729 3.252 10.595 1.00 0.00 H new ATOM 0 HB VAL A 149 0.957 3.205 7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.517 3.078 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.790 1.609 8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.572 2.802 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -0.489 5.245 7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -0.450 5.126 9.510 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.049 5.447 8.607 1.00 0.00 H new ATOM 297 N TYR A 150 0.264 0.811 10.586 1.00 0.00 N ATOM 298 CA TYR A 150 0.106 -0.628 10.754 1.00 0.00 C ATOM 299 C TYR A 150 -0.190 -1.276 9.403 1.00 0.00 C ATOM 300 O TYR A 150 -1.178 -0.930 8.747 1.00 0.00 O ATOM 301 CB TYR A 150 -0.995 -0.922 11.779 1.00 0.00 C ATOM 302 CG TYR A 150 -0.686 -0.412 13.174 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.497 -0.814 13.824 1.00 0.00 C ATOM 304 CD2 TYR A 150 -1.551 0.499 13.807 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.865 -0.225 15.044 1.00 0.00 C ATOM 306 CE2 TYR A 150 -1.203 1.053 15.051 1.00 0.00 C ATOM 307 CZ TYR A 150 0.003 0.689 15.670 1.00 0.00 C ATOM 308 OH TYR A 150 0.302 1.171 16.909 1.00 0.00 O ATOM 0 H TYR A 150 -0.384 1.362 11.149 1.00 0.00 H new ATOM 0 HA TYR A 150 1.033 -1.056 11.136 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.927 -0.472 11.436 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.158 -1.999 11.824 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.122 -1.577 13.383 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -2.484 0.773 13.337 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.811 -0.475 15.501 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -1.864 1.759 15.531 1.00 0.00 H new ATOM 0 HH TYR A 150 -0.399 1.793 17.196 1.00 0.00 H new ATOM 318 N SER A 151 0.687 -2.182 8.963 1.00 0.00 N ATOM 319 CA SER A 151 0.555 -2.856 7.685 1.00 0.00 C ATOM 320 C SER A 151 1.294 -4.193 7.676 1.00 0.00 C ATOM 321 O SER A 151 2.015 -4.529 8.619 1.00 0.00 O ATOM 322 CB SER A 151 0.959 -1.895 6.558 1.00 0.00 C ATOM 323 OG SER A 151 -0.164 -1.110 6.203 1.00 0.00 O ATOM 0 H SER A 151 1.511 -2.465 9.493 1.00 0.00 H new ATOM 0 HA SER A 151 -0.487 -3.124 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.779 -1.255 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 151 1.316 -2.456 5.694 1.00 0.00 H new ATOM 0 HG SER A 151 -0.696 -0.919 7.004 1.00 0.00 H new ATOM 329 N CYS A 152 1.063 -4.965 6.610 1.00 0.00 N ATOM 330 CA CYS A 152 1.629 -6.287 6.391 1.00 0.00 C ATOM 331 C CYS A 152 2.800 -6.201 5.408 1.00 0.00 C ATOM 332 O CYS A 152 2.771 -5.376 4.493 1.00 0.00 O ATOM 333 CB CYS A 152 0.538 -7.251 5.898 1.00 0.00 C ATOM 334 SG CYS A 152 -0.343 -6.813 4.370 1.00 0.00 S ATOM 0 H CYS A 152 0.451 -4.669 5.849 1.00 0.00 H new ATOM 0 HA CYS A 152 2.016 -6.678 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.995 -8.230 5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.200 -7.358 6.693 1.00 0.00 H new ATOM 0 HG CYS A 152 -0.999 -5.705 4.550 1.00 0.00 H new ATOM 339 N GLU A 153 3.827 -7.043 5.587 1.00 0.00 N ATOM 340 CA GLU A 153 5.010 -7.091 4.728 1.00 0.00 C ATOM 341 C GLU A 153 4.642 -7.047 3.240 1.00 0.00 C ATOM 342 O GLU A 153 5.294 -6.365 2.452 1.00 0.00 O ATOM 343 CB GLU A 153 5.856 -8.346 5.003 1.00 0.00 C ATOM 344 CG GLU A 153 6.391 -8.476 6.437 1.00 0.00 C ATOM 345 CD GLU A 153 7.219 -7.280 6.906 1.00 0.00 C ATOM 346 OE1 GLU A 153 7.857 -6.642 6.039 1.00 0.00 O ATOM 347 OE2 GLU A 153 7.222 -7.039 8.132 1.00 0.00 O ATOM 0 H GLU A 153 3.856 -7.721 6.348 1.00 0.00 H new ATOM 0 HA GLU A 153 5.596 -6.204 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 153 5.255 -9.226 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 153 6.702 -8.352 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 153 5.549 -8.610 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 153 7.002 -9.376 6.505 1.00 0.00 H new ATOM 354 N GLY A 154 3.582 -7.767 2.857 1.00 0.00 N ATOM 355 CA GLY A 154 3.092 -7.788 1.487 1.00 0.00 C ATOM 356 C GLY A 154 2.843 -6.371 0.969 1.00 0.00 C ATOM 357 O GLY A 154 3.210 -6.045 -0.164 1.00 0.00 O ATOM 0 H GLY A 154 3.042 -8.351 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.816 -8.291 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 154 2.168 -8.364 1.437 1.00 0.00 H new ATOM 361 N CYS A 155 2.238 -5.514 1.796 1.00 0.00 N ATOM 362 CA CYS A 155 1.989 -4.121 1.468 1.00 0.00 C ATOM 363 C CYS A 155 3.290 -3.336 1.561 1.00 0.00 C ATOM 364 O CYS A 155 3.554 -2.504 0.697 1.00 0.00 O ATOM 365 CB CYS A 155 0.908 -3.538 2.376 1.00 0.00 C ATOM 366 SG CYS A 155 -0.763 -4.033 1.893 1.00 0.00 S ATOM 0 H CYS A 155 1.906 -5.779 2.723 1.00 0.00 H new ATOM 0 HA CYS A 155 1.620 -4.049 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.093 -3.856 3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.977 -2.450 2.362 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.535 -4.033 2.939 1.00 0.00 H new ATOM 371 N LYS A 156 4.101 -3.604 2.587 1.00 0.00 N ATOM 372 CA LYS A 156 5.386 -2.940 2.768 1.00 0.00 C ATOM 373 C LYS A 156 6.220 -3.006 1.481 1.00 0.00 C ATOM 374 O LYS A 156 6.617 -1.973 0.937 1.00 0.00 O ATOM 375 CB LYS A 156 6.145 -3.553 3.951 1.00 0.00 C ATOM 376 CG LYS A 156 7.348 -2.686 4.334 1.00 0.00 C ATOM 377 CD LYS A 156 8.132 -3.327 5.479 1.00 0.00 C ATOM 378 CE LYS A 156 9.167 -2.352 6.052 1.00 0.00 C ATOM 379 NZ LYS A 156 10.118 -1.888 5.026 1.00 0.00 N ATOM 0 H LYS A 156 3.882 -4.287 3.312 1.00 0.00 H new ATOM 0 HA LYS A 156 5.203 -1.889 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.476 -3.652 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.482 -4.557 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 156 7.999 -2.555 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 156 7.008 -1.694 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.445 -3.637 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 156 8.634 -4.226 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 156 8.655 -1.493 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.714 -2.838 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 11.064 -1.794 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 10.152 -2.577 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 9.809 -0.965 4.659 1.00 0.00 H new ATOM 393 N GLY A 157 6.487 -4.229 1.011 1.00 0.00 N ATOM 394 CA GLY A 157 7.281 -4.495 -0.179 1.00 0.00 C ATOM 395 C GLY A 157 6.613 -3.937 -1.430 1.00 0.00 C ATOM 396 O GLY A 157 7.265 -3.304 -2.261 1.00 0.00 O ATOM 0 H GLY A 157 6.146 -5.077 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.270 -4.052 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.424 -5.570 -0.290 1.00 0.00 H new ATOM 400 N PHE A 158 5.304 -4.173 -1.572 1.00 0.00 N ATOM 401 CA PHE A 158 4.528 -3.665 -2.699 1.00 0.00 C ATOM 402 C PHE A 158 4.707 -2.152 -2.816 1.00 0.00 C ATOM 403 O PHE A 158 5.057 -1.646 -3.882 1.00 0.00 O ATOM 404 CB PHE A 158 3.057 -4.038 -2.502 1.00 0.00 C ATOM 405 CG PHE A 158 2.081 -3.205 -3.302 1.00 0.00 C ATOM 406 CD1 PHE A 158 2.017 -3.357 -4.698 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.392 -2.146 -2.676 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.293 -2.434 -5.468 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.683 -1.215 -3.451 1.00 0.00 C ATOM 410 CZ PHE A 158 0.648 -1.352 -4.847 1.00 0.00 C ATOM 0 H PHE A 158 4.757 -4.721 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 158 4.880 -4.114 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.923 -5.086 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.811 -3.945 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.524 -4.182 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.410 -2.051 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.232 -2.556 -6.539 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.166 -0.395 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.123 -0.623 -5.446 1.00 0.00 H new ATOM 420 N PHE A 159 4.475 -1.435 -1.714 1.00 0.00 N ATOM 421 CA PHE A 159 4.619 0.007 -1.667 1.00 0.00 C ATOM 422 C PHE A 159 6.063 0.376 -1.993 1.00 0.00 C ATOM 423 O PHE A 159 6.281 1.250 -2.821 1.00 0.00 O ATOM 424 CB PHE A 159 4.187 0.545 -0.303 1.00 0.00 C ATOM 425 CG PHE A 159 4.242 2.059 -0.185 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.221 2.847 -0.751 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.286 2.684 0.522 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.199 4.237 -0.532 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.216 4.057 0.814 1.00 0.00 C ATOM 430 CZ PHE A 159 4.174 4.836 0.282 1.00 0.00 C ATOM 0 H PHE A 159 4.181 -1.848 -0.829 1.00 0.00 H new ATOM 0 HA PHE A 159 3.969 0.468 -2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.169 0.213 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.824 0.108 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.454 2.384 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.142 2.108 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.432 4.843 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.963 4.513 1.447 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.123 5.893 0.499 1.00 0.00 H new ATOM 440 N LYS A 160 7.044 -0.296 -1.376 1.00 0.00 N ATOM 441 CA LYS A 160 8.457 -0.038 -1.635 1.00 0.00 C ATOM 442 C LYS A 160 8.737 -0.035 -3.143 1.00 0.00 C ATOM 443 O LYS A 160 9.192 0.963 -3.705 1.00 0.00 O ATOM 444 CB LYS A 160 9.325 -1.079 -0.898 1.00 0.00 C ATOM 445 CG LYS A 160 10.674 -0.497 -0.463 1.00 0.00 C ATOM 446 CD LYS A 160 11.484 -1.460 0.410 1.00 0.00 C ATOM 447 CE LYS A 160 11.885 -2.733 -0.346 1.00 0.00 C ATOM 448 NZ LYS A 160 12.841 -3.539 0.434 1.00 0.00 N ATOM 0 H LYS A 160 6.876 -1.029 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 160 8.716 0.950 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.788 -1.444 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.493 -1.937 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.256 -0.240 -1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.504 0.429 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.381 -0.955 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.898 -1.731 1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.996 -3.326 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.329 -2.465 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 13.094 -4.393 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.698 -2.979 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.407 -3.814 1.338 1.00 0.00 H new ATOM 462 N ARG A 161 8.438 -1.156 -3.801 1.00 0.00 N ATOM 463 CA ARG A 161 8.638 -1.329 -5.230 1.00 0.00 C ATOM 464 C ARG A 161 7.865 -0.272 -6.019 1.00 0.00 C ATOM 465 O ARG A 161 8.429 0.413 -6.875 1.00 0.00 O ATOM 466 CB ARG A 161 8.204 -2.746 -5.615 1.00 0.00 C ATOM 467 CG ARG A 161 9.177 -3.790 -5.048 1.00 0.00 C ATOM 468 CD ARG A 161 8.637 -5.209 -5.246 1.00 0.00 C ATOM 469 NE ARG A 161 7.480 -5.463 -4.376 1.00 0.00 N ATOM 470 CZ ARG A 161 6.787 -6.611 -4.367 1.00 0.00 C ATOM 471 NH1 ARG A 161 7.111 -7.596 -5.211 1.00 0.00 N ATOM 472 NH2 ARG A 161 5.772 -6.777 -3.513 1.00 0.00 N ATOM 0 H ARG A 161 8.044 -1.978 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 161 9.692 -1.198 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 161 7.199 -2.938 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 161 8.161 -2.835 -6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 161 10.145 -3.694 -5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 161 9.338 -3.603 -3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 161 8.350 -5.350 -6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 161 9.423 -5.933 -5.031 1.00 0.00 H new ATOM 0 HE ARG A 161 7.186 -4.721 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 161 7.886 -7.475 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 161 6.583 -8.469 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 161 5.523 -6.029 -2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 161 5.247 -7.651 -3.509 1.00 0.00 H new ATOM 486 N THR A 162 6.571 -0.139 -5.723 1.00 0.00 N ATOM 487 CA THR A 162 5.695 0.814 -6.383 1.00 0.00 C ATOM 488 C THR A 162 6.268 2.227 -6.322 1.00 0.00 C ATOM 489 O THR A 162 6.281 2.903 -7.342 1.00 0.00 O ATOM 490 CB THR A 162 4.290 0.750 -5.779 1.00 0.00 C ATOM 491 OG1 THR A 162 3.747 -0.534 -6.021 1.00 0.00 O ATOM 492 CG2 THR A 162 3.373 1.810 -6.388 1.00 0.00 C ATOM 0 H THR A 162 6.103 -0.698 -5.010 1.00 0.00 H new ATOM 0 HA THR A 162 5.623 0.543 -7.436 1.00 0.00 H new ATOM 0 HB THR A 162 4.363 0.941 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.082 -1.163 -5.348 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.383 1.737 -5.937 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.786 2.801 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.295 1.649 -7.463 1.00 0.00 H new ATOM 500 N VAL A 163 6.729 2.674 -5.152 1.00 0.00 N ATOM 501 CA VAL A 163 7.308 3.993 -4.947 1.00 0.00 C ATOM 502 C VAL A 163 8.601 4.112 -5.749 1.00 0.00 C ATOM 503 O VAL A 163 8.763 5.069 -6.501 1.00 0.00 O ATOM 504 CB VAL A 163 7.543 4.224 -3.443 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.512 5.383 -3.157 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.210 4.502 -2.739 1.00 0.00 C ATOM 0 H VAL A 163 6.707 2.110 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 163 6.624 4.764 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 163 7.998 3.312 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.637 5.496 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.479 5.170 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.109 6.306 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.387 4.664 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.749 5.391 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.544 3.649 -2.870 1.00 0.00 H new ATOM 516 N ARG A 164 9.514 3.146 -5.591 1.00 0.00 N ATOM 517 CA ARG A 164 10.795 3.150 -6.295 1.00 0.00 C ATOM 518 C ARG A 164 10.598 3.334 -7.799 1.00 0.00 C ATOM 519 O ARG A 164 11.282 4.136 -8.430 1.00 0.00 O ATOM 520 CB ARG A 164 11.571 1.856 -6.003 1.00 0.00 C ATOM 521 CG ARG A 164 11.999 1.768 -4.531 1.00 0.00 C ATOM 522 CD ARG A 164 13.501 1.973 -4.317 1.00 0.00 C ATOM 523 NE ARG A 164 13.990 3.225 -4.907 1.00 0.00 N ATOM 524 CZ ARG A 164 15.254 3.659 -4.801 1.00 0.00 C ATOM 525 NH1 ARG A 164 16.160 2.951 -4.117 1.00 0.00 N ATOM 526 NH2 ARG A 164 15.598 4.819 -5.367 1.00 0.00 N ATOM 0 H ARG A 164 9.383 2.345 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 164 11.379 3.995 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.950 0.996 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.453 1.809 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.453 2.517 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.714 0.793 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 164 13.715 1.971 -3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 164 14.044 1.134 -4.752 1.00 0.00 H new ATOM 0 HE ARG A 164 13.328 3.799 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 164 15.891 2.074 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 164 17.120 3.288 -4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 164 14.902 5.365 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 164 16.557 5.158 -5.292 1.00 0.00 H new ATOM 540 N LYS A 165 9.661 2.577 -8.367 1.00 0.00 N ATOM 541 CA LYS A 165 9.342 2.628 -9.788 1.00 0.00 C ATOM 542 C LYS A 165 8.395 3.792 -10.128 1.00 0.00 C ATOM 543 O LYS A 165 8.319 4.212 -11.280 1.00 0.00 O ATOM 544 CB LYS A 165 8.681 1.299 -10.173 1.00 0.00 C ATOM 545 CG LYS A 165 9.590 0.075 -9.995 1.00 0.00 C ATOM 546 CD LYS A 165 10.279 -0.257 -11.324 1.00 0.00 C ATOM 547 CE LYS A 165 11.241 -1.442 -11.194 1.00 0.00 C ATOM 548 NZ LYS A 165 12.387 -1.129 -10.320 1.00 0.00 N ATOM 0 H LYS A 165 9.098 1.905 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 165 10.263 2.790 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 165 7.784 1.163 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.360 1.352 -11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.337 0.274 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 165 9.004 -0.779 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.524 -0.484 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 165 10.827 0.617 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 165 10.704 -2.303 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 165 11.605 -1.724 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 13.095 -1.887 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 12.813 -0.228 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 12.062 -1.051 -9.335 1.00 0.00 H new ATOM 562 N ASP A 166 7.620 4.248 -9.141 1.00 0.00 N ATOM 563 CA ASP A 166 6.540 5.222 -9.235 1.00 0.00 C ATOM 564 C ASP A 166 5.533 4.768 -10.291 1.00 0.00 C ATOM 565 O ASP A 166 5.188 5.502 -11.213 1.00 0.00 O ATOM 566 CB ASP A 166 7.043 6.655 -9.426 1.00 0.00 C ATOM 567 CG ASP A 166 5.907 7.658 -9.222 1.00 0.00 C ATOM 568 OD1 ASP A 166 5.127 7.451 -8.261 1.00 0.00 O ATOM 569 OD2 ASP A 166 5.845 8.623 -10.012 1.00 0.00 O ATOM 0 H ASP A 166 7.744 3.918 -8.184 1.00 0.00 H new ATOM 0 HA ASP A 166 6.017 5.259 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.847 6.861 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 166 7.460 6.769 -10.427 1.00 0.00 H new ATOM 574 N LEU A 167 5.079 3.521 -10.150 1.00 0.00 N ATOM 575 CA LEU A 167 4.181 2.897 -11.114 1.00 0.00 C ATOM 576 C LEU A 167 2.792 3.534 -11.131 1.00 0.00 C ATOM 577 O LEU A 167 2.012 3.409 -10.186 1.00 0.00 O ATOM 578 CB LEU A 167 4.114 1.382 -10.891 1.00 0.00 C ATOM 579 CG LEU A 167 5.374 0.711 -11.457 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.672 -0.621 -10.760 1.00 0.00 C ATOM 581 CD2 LEU A 167 5.247 0.479 -12.968 1.00 0.00 C ATOM 0 H LEU A 167 5.325 2.919 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 167 4.600 3.076 -12.104 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.024 1.167 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.226 0.974 -11.374 1.00 0.00 H new ATOM 0 HG LEU A 167 6.203 1.393 -11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.571 -1.063 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.826 -0.448 -9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.831 -1.301 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.154 0.003 -13.340 1.00 0.00 H new ATOM 0 HD22 LEU A 167 4.391 -0.166 -13.166 1.00 0.00 H new ATOM 0 HD23 LEU A 167 5.106 1.435 -13.472 1.00 0.00 H new ATOM 593 N THR A 168 2.475 4.192 -12.245 1.00 0.00 N ATOM 594 CA THR A 168 1.202 4.838 -12.487 1.00 0.00 C ATOM 595 C THR A 168 0.175 3.772 -12.868 1.00 0.00 C ATOM 596 O THR A 168 -0.158 3.619 -14.043 1.00 0.00 O ATOM 597 CB THR A 168 1.398 5.860 -13.613 1.00 0.00 C ATOM 598 OG1 THR A 168 2.000 5.208 -14.713 1.00 0.00 O ATOM 599 CG2 THR A 168 2.304 7.008 -13.160 1.00 0.00 C ATOM 0 H THR A 168 3.125 4.289 -13.025 1.00 0.00 H new ATOM 0 HA THR A 168 0.838 5.356 -11.600 1.00 0.00 H new ATOM 0 HB THR A 168 0.427 6.272 -13.888 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.415 4.487 -15.026 1.00 0.00 H new ATOM 0 HG21 THR A 168 2.427 7.719 -13.977 1.00 0.00 H new ATOM 0 HG22 THR A 168 1.853 7.512 -12.305 1.00 0.00 H new ATOM 0 HG23 THR A 168 3.278 6.612 -12.875 1.00 0.00 H new ATOM 607 N TYR A 169 -0.305 3.023 -11.877 1.00 0.00 N ATOM 608 CA TYR A 169 -1.293 1.975 -12.096 1.00 0.00 C ATOM 609 C TYR A 169 -2.679 2.601 -12.298 1.00 0.00 C ATOM 610 O TYR A 169 -2.861 3.809 -12.141 1.00 0.00 O ATOM 611 CB TYR A 169 -1.347 1.067 -10.865 1.00 0.00 C ATOM 612 CG TYR A 169 -0.036 0.545 -10.315 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.717 -0.386 -11.053 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.294 0.799 -8.971 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.776 -1.077 -10.438 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.313 0.065 -8.347 1.00 0.00 C ATOM 617 CZ TYR A 169 2.064 -0.863 -9.079 1.00 0.00 C ATOM 618 OH TYR A 169 2.954 -1.668 -8.430 1.00 0.00 O ATOM 0 H TYR A 169 -0.019 3.127 -10.903 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.013 1.401 -12.980 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.851 1.613 -10.068 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.973 0.209 -11.109 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.482 -0.570 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.238 1.560 -8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.370 -1.774 -11.011 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.519 0.216 -7.298 1.00 0.00 H new ATOM 0 HH TYR A 169 3.218 -1.249 -7.584 1.00 0.00 H new ATOM 628 N THR A 170 -3.680 1.778 -12.615 1.00 0.00 N ATOM 629 CA THR A 170 -5.065 2.206 -12.771 1.00 0.00 C ATOM 630 C THR A 170 -5.980 1.006 -12.505 1.00 0.00 C ATOM 631 O THR A 170 -5.640 -0.115 -12.888 1.00 0.00 O ATOM 632 CB THR A 170 -5.289 2.787 -14.179 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.348 3.805 -14.459 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.688 3.395 -14.333 1.00 0.00 C ATOM 0 H THR A 170 -3.545 0.779 -12.772 1.00 0.00 H new ATOM 0 HA THR A 170 -5.299 2.995 -12.056 1.00 0.00 H new ATOM 0 HB THR A 170 -5.174 1.954 -14.873 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.507 4.159 -15.359 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.803 3.793 -15.341 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.440 2.626 -14.159 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.817 4.199 -13.609 1.00 0.00 H new ATOM 642 N CYS A 171 -7.137 1.241 -11.875 1.00 0.00 N ATOM 643 CA CYS A 171 -8.169 0.245 -11.604 1.00 0.00 C ATOM 644 C CYS A 171 -9.431 0.706 -12.324 1.00 0.00 C ATOM 645 O CYS A 171 -9.800 1.874 -12.207 1.00 0.00 O ATOM 646 CB CYS A 171 -8.421 0.116 -10.098 1.00 0.00 C ATOM 647 SG CYS A 171 -9.821 -0.940 -9.627 1.00 0.00 S ATOM 0 H CYS A 171 -7.385 2.168 -11.528 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.858 -0.738 -11.958 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.519 -0.276 -9.629 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.586 1.112 -9.688 1.00 0.00 H new ATOM 0 HG CYS A 171 -9.441 -1.782 -8.712 1.00 0.00 H new ATOM 652 N ARG A 172 -10.089 -0.187 -13.065 1.00 0.00 N ATOM 653 CA ARG A 172 -11.294 0.101 -13.832 1.00 0.00 C ATOM 654 C ARG A 172 -12.525 0.200 -12.922 1.00 0.00 C ATOM 655 O ARG A 172 -13.529 -0.470 -13.147 1.00 0.00 O ATOM 656 CB ARG A 172 -11.457 -0.977 -14.912 1.00 0.00 C ATOM 657 CG ARG A 172 -10.251 -0.998 -15.868 1.00 0.00 C ATOM 658 CD ARG A 172 -9.629 -2.396 -16.006 1.00 0.00 C ATOM 659 NE ARG A 172 -9.117 -2.925 -14.732 1.00 0.00 N ATOM 660 CZ ARG A 172 -7.990 -2.535 -14.118 1.00 0.00 C ATOM 661 NH1 ARG A 172 -7.262 -1.524 -14.601 1.00 0.00 N ATOM 662 NH2 ARG A 172 -7.603 -3.152 -12.998 1.00 0.00 N ATOM 0 H ARG A 172 -9.786 -1.158 -13.148 1.00 0.00 H new ATOM 0 HA ARG A 172 -11.199 1.073 -14.316 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -11.567 -1.954 -14.440 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -12.370 -0.792 -15.479 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -10.565 -0.646 -16.851 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -9.494 -0.302 -15.507 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -10.376 -3.083 -16.404 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -8.815 -2.356 -16.730 1.00 0.00 H new ATOM 0 HE ARG A 172 -9.668 -3.652 -14.276 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -7.561 -1.038 -15.447 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -6.407 -1.238 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -8.163 -3.914 -12.616 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -6.747 -2.861 -12.525 1.00 0.00 H new ATOM 676 N ASP A 173 -12.441 1.058 -11.904 1.00 0.00 N ATOM 677 CA ASP A 173 -13.495 1.351 -10.943 1.00 0.00 C ATOM 678 C ASP A 173 -13.281 2.802 -10.506 1.00 0.00 C ATOM 679 O ASP A 173 -13.503 3.719 -11.291 1.00 0.00 O ATOM 680 CB ASP A 173 -13.468 0.360 -9.765 1.00 0.00 C ATOM 681 CG ASP A 173 -13.868 -1.056 -10.167 1.00 0.00 C ATOM 682 OD1 ASP A 173 -15.090 -1.296 -10.260 1.00 0.00 O ATOM 683 OD2 ASP A 173 -12.942 -1.878 -10.346 1.00 0.00 O ATOM 0 H ASP A 173 -11.591 1.592 -11.722 1.00 0.00 H new ATOM 0 HA ASP A 173 -14.486 1.235 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.466 0.341 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -14.141 0.714 -8.984 1.00 0.00 H new ATOM 688 N ASN A 174 -12.793 3.017 -9.282 1.00 0.00 N ATOM 689 CA ASN A 174 -12.457 4.311 -8.715 1.00 0.00 C ATOM 690 C ASN A 174 -11.400 4.013 -7.655 1.00 0.00 C ATOM 691 O ASN A 174 -11.232 2.855 -7.276 1.00 0.00 O ATOM 692 CB ASN A 174 -13.683 4.961 -8.053 1.00 0.00 C ATOM 693 CG ASN A 174 -14.769 5.359 -9.048 1.00 0.00 C ATOM 694 OD1 ASN A 174 -15.808 4.714 -9.128 1.00 0.00 O ATOM 695 ND2 ASN A 174 -14.554 6.437 -9.798 1.00 0.00 N ATOM 0 H ASN A 174 -12.615 2.251 -8.633 1.00 0.00 H new ATOM 0 HA ASN A 174 -12.106 5.003 -9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -14.104 4.267 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -13.363 5.846 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -15.264 6.746 -10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -13.679 6.954 -9.709 1.00 0.00 H new ATOM 702 N LYS A 175 -10.703 5.039 -7.161 1.00 0.00 N ATOM 703 CA LYS A 175 -9.702 4.858 -6.115 1.00 0.00 C ATOM 704 C LYS A 175 -10.321 4.220 -4.862 1.00 0.00 C ATOM 705 O LYS A 175 -9.680 3.419 -4.183 1.00 0.00 O ATOM 706 CB LYS A 175 -9.009 6.196 -5.814 1.00 0.00 C ATOM 707 CG LYS A 175 -9.947 7.261 -5.223 1.00 0.00 C ATOM 708 CD LYS A 175 -9.349 8.677 -5.238 1.00 0.00 C ATOM 709 CE LYS A 175 -8.052 8.818 -4.429 1.00 0.00 C ATOM 710 NZ LYS A 175 -6.861 8.459 -5.221 1.00 0.00 N ATOM 0 H LYS A 175 -10.816 6.004 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 175 -8.939 4.164 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -8.189 6.021 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -8.570 6.582 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.881 7.263 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -10.192 6.989 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -9.154 8.966 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -10.087 9.376 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -7.956 9.845 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -8.105 8.181 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -6.030 8.957 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -6.704 7.432 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -7.008 8.734 -6.213 1.00 0.00 H new ATOM 724 N ASP A 176 -11.584 4.555 -4.577 1.00 0.00 N ATOM 725 CA ASP A 176 -12.340 4.045 -3.437 1.00 0.00 C ATOM 726 C ASP A 176 -12.866 2.642 -3.754 1.00 0.00 C ATOM 727 O ASP A 176 -14.069 2.398 -3.788 1.00 0.00 O ATOM 728 CB ASP A 176 -13.469 5.027 -3.091 1.00 0.00 C ATOM 729 CG ASP A 176 -14.264 4.590 -1.860 1.00 0.00 C ATOM 730 OD1 ASP A 176 -13.631 4.040 -0.934 1.00 0.00 O ATOM 731 OD2 ASP A 176 -15.489 4.838 -1.862 1.00 0.00 O ATOM 0 H ASP A 176 -12.120 5.206 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 176 -11.696 3.962 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -13.046 6.016 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -14.143 5.116 -3.943 1.00 0.00 H new ATOM 736 N CYS A 177 -11.936 1.727 -4.010 1.00 0.00 N ATOM 737 CA CYS A 177 -12.206 0.334 -4.331 1.00 0.00 C ATOM 738 C CYS A 177 -12.300 -0.456 -3.023 1.00 0.00 C ATOM 739 O CYS A 177 -11.766 -0.034 -1.997 1.00 0.00 O ATOM 740 CB CYS A 177 -11.080 -0.128 -5.257 1.00 0.00 C ATOM 741 SG CYS A 177 -11.196 -1.713 -6.120 1.00 0.00 S ATOM 0 H CYS A 177 -10.940 1.945 -3.999 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.153 0.181 -4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -10.950 0.643 -6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -10.165 -0.150 -4.665 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.014 -2.076 -6.522 1.00 0.00 H new ATOM 746 N LEU A 178 -12.994 -1.597 -3.038 1.00 0.00 N ATOM 747 CA LEU A 178 -13.216 -2.413 -1.847 1.00 0.00 C ATOM 748 C LEU A 178 -11.948 -3.164 -1.423 1.00 0.00 C ATOM 749 O LEU A 178 -11.905 -4.395 -1.463 1.00 0.00 O ATOM 750 CB LEU A 178 -14.389 -3.378 -2.096 1.00 0.00 C ATOM 751 CG LEU A 178 -15.715 -2.681 -2.448 1.00 0.00 C ATOM 752 CD1 LEU A 178 -16.777 -3.750 -2.727 1.00 0.00 C ATOM 753 CD2 LEU A 178 -16.205 -1.765 -1.319 1.00 0.00 C ATOM 0 H LEU A 178 -13.419 -1.980 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 178 -13.472 -1.753 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -14.121 -4.056 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -14.538 -3.989 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 178 -15.546 -2.059 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -17.722 -3.268 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -16.455 -4.373 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -16.910 -4.370 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -17.144 -1.295 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -16.361 -2.354 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -15.459 -0.995 -1.126 1.00 0.00 H new ATOM 765 N ILE A 179 -10.904 -2.443 -1.007 1.00 0.00 N ATOM 766 CA ILE A 179 -9.657 -3.046 -0.549 1.00 0.00 C ATOM 767 C ILE A 179 -9.840 -3.472 0.911 1.00 0.00 C ATOM 768 O ILE A 179 -9.224 -2.934 1.827 1.00 0.00 O ATOM 769 CB ILE A 179 -8.453 -2.106 -0.766 1.00 0.00 C ATOM 770 CG1 ILE A 179 -8.445 -1.429 -2.148 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.151 -2.900 -0.588 1.00 0.00 C ATOM 772 CD1 ILE A 179 -8.250 -2.422 -3.295 1.00 0.00 C ATOM 0 H ILE A 179 -10.903 -1.423 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.427 -3.931 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 179 -8.537 -1.312 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -9.385 -0.896 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -7.649 -0.685 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.298 -2.239 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.113 -3.315 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.117 -3.711 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -8.253 -1.886 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.297 -2.937 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -9.060 -3.151 -3.287 1.00 0.00 H new ATOM 784 N ASP A 180 -10.719 -4.453 1.110 1.00 0.00 N ATOM 785 CA ASP A 180 -11.039 -5.029 2.406 1.00 0.00 C ATOM 786 C ASP A 180 -10.292 -6.355 2.543 1.00 0.00 C ATOM 787 O ASP A 180 -9.598 -6.774 1.618 1.00 0.00 O ATOM 788 CB ASP A 180 -12.558 -5.234 2.501 1.00 0.00 C ATOM 789 CG ASP A 180 -13.309 -3.908 2.422 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.636 -3.504 1.285 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.539 -3.323 3.502 1.00 0.00 O ATOM 0 H ASP A 180 -11.243 -4.880 0.346 1.00 0.00 H new ATOM 0 HA ASP A 180 -10.732 -4.367 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.889 -5.889 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.800 -5.735 3.438 1.00 0.00 H new ATOM 921 N CYS A 187 -5.110 -5.502 -5.904 1.00 0.00 N ATOM 922 CA CYS A 187 -5.500 -4.356 -6.712 1.00 0.00 C ATOM 923 C CYS A 187 -4.517 -3.183 -6.521 1.00 0.00 C ATOM 924 O CYS A 187 -4.791 -2.213 -5.812 1.00 0.00 O ATOM 925 CB CYS A 187 -6.941 -4.008 -6.331 1.00 0.00 C ATOM 926 SG CYS A 187 -7.660 -2.609 -7.209 1.00 0.00 S ATOM 0 HA CYS A 187 -5.459 -4.586 -7.777 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.566 -4.884 -6.505 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.975 -3.800 -5.262 1.00 0.00 H new ATOM 0 HG CYS A 187 -6.856 -1.590 -7.135 1.00 0.00 H new ATOM 931 N GLN A 188 -3.347 -3.317 -7.151 1.00 0.00 N ATOM 932 CA GLN A 188 -2.188 -2.434 -7.083 1.00 0.00 C ATOM 933 C GLN A 188 -2.544 -0.947 -7.002 1.00 0.00 C ATOM 934 O GLN A 188 -2.151 -0.281 -6.046 1.00 0.00 O ATOM 935 CB GLN A 188 -1.257 -2.715 -8.277 1.00 0.00 C ATOM 936 CG GLN A 188 -0.672 -4.137 -8.249 1.00 0.00 C ATOM 937 CD GLN A 188 0.237 -4.429 -9.441 1.00 0.00 C ATOM 938 OE1 GLN A 188 -0.182 -5.076 -10.393 1.00 0.00 O ATOM 939 NE2 GLN A 188 1.484 -3.967 -9.421 1.00 0.00 N ATOM 0 H GLN A 188 -3.176 -4.110 -7.770 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.674 -2.657 -6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.810 -2.572 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.442 -1.991 -8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.108 -4.274 -7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -1.488 -4.860 -8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 188 1.816 -3.430 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 188 2.108 -4.150 -10.207 1.00 0.00 H new ATOM 948 N TYR A 189 -3.265 -0.405 -7.990 1.00 0.00 N ATOM 949 CA TYR A 189 -3.593 1.016 -8.001 1.00 0.00 C ATOM 950 C TYR A 189 -4.220 1.464 -6.691 1.00 0.00 C ATOM 951 O TYR A 189 -3.668 2.299 -5.982 1.00 0.00 O ATOM 952 CB TYR A 189 -4.527 1.354 -9.168 1.00 0.00 C ATOM 953 CG TYR A 189 -4.973 2.808 -9.192 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.023 3.845 -9.250 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.332 3.129 -9.031 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.438 5.187 -9.201 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.749 4.469 -8.998 1.00 0.00 C ATOM 958 CZ TYR A 189 -5.802 5.501 -9.071 1.00 0.00 C ATOM 959 OH TYR A 189 -6.192 6.780 -8.809 1.00 0.00 O ATOM 0 H TYR A 189 -3.628 -0.929 -8.786 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.655 1.556 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.021 1.123 -10.105 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.408 0.714 -9.114 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -2.972 3.609 -9.332 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.061 2.338 -8.932 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -3.707 5.979 -9.263 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -7.800 4.705 -8.916 1.00 0.00 H new ATOM 0 HH TYR A 189 -5.643 7.148 -8.085 1.00 0.00 H new ATOM 969 N CYS A 190 -5.386 0.913 -6.377 1.00 0.00 N ATOM 970 CA CYS A 190 -6.122 1.282 -5.190 1.00 0.00 C ATOM 971 C CYS A 190 -5.282 1.056 -3.934 1.00 0.00 C ATOM 972 O CYS A 190 -5.313 1.888 -3.034 1.00 0.00 O ATOM 973 CB CYS A 190 -7.439 0.522 -5.197 1.00 0.00 C ATOM 974 SG CYS A 190 -8.446 0.911 -6.655 1.00 0.00 S ATOM 0 H CYS A 190 -5.842 0.198 -6.943 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.350 2.348 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.239 -0.549 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.001 0.763 -4.295 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.576 -0.154 -7.389 1.00 0.00 H new ATOM 979 N ARG A 191 -4.494 -0.022 -3.873 1.00 0.00 N ATOM 980 CA ARG A 191 -3.607 -0.246 -2.735 1.00 0.00 C ATOM 981 C ARG A 191 -2.610 0.920 -2.608 1.00 0.00 C ATOM 982 O ARG A 191 -2.380 1.436 -1.513 1.00 0.00 O ATOM 983 CB ARG A 191 -2.895 -1.598 -2.867 1.00 0.00 C ATOM 984 CG ARG A 191 -3.909 -2.740 -2.721 1.00 0.00 C ATOM 985 CD ARG A 191 -3.349 -4.081 -3.206 1.00 0.00 C ATOM 986 NE ARG A 191 -2.743 -4.865 -2.123 1.00 0.00 N ATOM 987 CZ ARG A 191 -3.433 -5.695 -1.325 1.00 0.00 C ATOM 988 NH1 ARG A 191 -4.768 -5.688 -1.323 1.00 0.00 N ATOM 989 NH2 ARG A 191 -2.808 -6.566 -0.528 1.00 0.00 N ATOM 0 H ARG A 191 -4.454 -0.744 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.197 -0.280 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.397 -1.664 -3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.122 -1.687 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.204 -2.829 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.809 -2.499 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -4.150 -4.661 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -2.603 -3.900 -3.980 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.739 -4.774 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -5.276 -5.047 -1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -5.280 -6.324 -0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -1.789 -6.608 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -3.350 -7.189 0.071 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.030 1.362 -3.731 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.108 2.493 -3.750 1.00 0.00 C ATOM 1005 C TYR A 192 -1.841 3.764 -3.305 1.00 0.00 C ATOM 1006 O TYR A 192 -1.348 4.489 -2.443 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.476 2.637 -5.146 1.00 0.00 C ATOM 1008 CG TYR A 192 0.571 3.726 -5.342 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.537 3.993 -4.351 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.710 4.316 -6.615 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.608 4.864 -4.624 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.795 5.165 -6.893 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.747 5.439 -5.898 1.00 0.00 C ATOM 1014 OH TYR A 192 3.815 6.248 -6.158 1.00 0.00 O ATOM 0 H TYR A 192 -2.189 0.943 -4.647 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.293 2.321 -3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.019 1.682 -5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.280 2.812 -5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.455 3.528 -3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.023 4.114 -7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.326 5.091 -3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.897 5.607 -7.873 1.00 0.00 H new ATOM 0 HH TYR A 192 3.907 6.367 -7.126 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.025 4.032 -3.867 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.823 5.186 -3.485 1.00 0.00 C ATOM 1026 C GLN A 193 -4.111 5.169 -1.982 1.00 0.00 C ATOM 1027 O GLN A 193 -3.931 6.190 -1.326 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.125 5.237 -4.292 1.00 0.00 C ATOM 1029 CG GLN A 193 -4.977 5.354 -5.816 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.047 6.467 -6.292 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -4.504 7.488 -6.799 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -2.737 6.263 -6.193 1.00 0.00 N ATOM 0 H GLN A 193 -3.448 3.455 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.252 6.087 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.699 4.337 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.713 6.084 -3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.610 4.404 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.964 5.515 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -2.385 5.406 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -2.084 6.964 -6.543 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.528 4.023 -1.433 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.774 3.865 -0.005 1.00 0.00 C ATOM 1043 C LYS A 194 -3.511 4.281 0.750 1.00 0.00 C ATOM 1044 O LYS A 194 -3.552 5.180 1.588 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.132 2.402 0.317 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.567 1.994 -0.049 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.641 2.492 0.932 1.00 0.00 C ATOM 1048 CE LYS A 194 -7.502 1.964 2.370 1.00 0.00 C ATOM 1049 NZ LYS A 194 -7.537 0.492 2.450 1.00 0.00 N ATOM 0 H LYS A 194 -4.704 3.177 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.612 4.491 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.438 1.748 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.982 2.232 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.797 2.375 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -6.619 0.907 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.612 3.581 0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.621 2.207 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -6.564 2.323 2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -8.306 2.375 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -7.405 0.195 3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -8.455 0.147 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -6.775 0.094 1.864 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.390 3.618 0.447 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.106 3.882 1.083 1.00 0.00 C ATOM 1065 C ALA A 195 -0.781 5.381 1.099 1.00 0.00 C ATOM 1066 O ALA A 195 -0.474 5.945 2.150 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.016 3.079 0.370 1.00 0.00 C ATOM 0 H ALA A 195 -2.354 2.877 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.156 3.565 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.947 3.273 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.245 2.015 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 195 0.028 3.375 -0.678 1.00 0.00 H new ATOM 1073 N LEU A 196 -0.859 6.028 -0.067 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.586 7.449 -0.185 1.00 0.00 C ATOM 1075 C LEU A 196 -1.561 8.264 0.666 1.00 0.00 C ATOM 1076 O LEU A 196 -1.141 9.065 1.497 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.661 7.866 -1.660 1.00 0.00 C ATOM 1078 CG LEU A 196 0.458 7.281 -2.539 1.00 0.00 C ATOM 1079 CD1 LEU A 196 0.122 7.569 -4.006 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.830 7.880 -2.207 1.00 0.00 C ATOM 0 H LEU A 196 -1.112 5.578 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 196 0.419 7.649 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.625 7.557 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.624 8.954 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 196 0.516 6.209 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.905 7.161 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.831 7.105 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 196 0.053 8.646 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.587 7.436 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.804 8.958 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 196 2.075 7.672 -1.165 1.00 0.00 H new ATOM 1092 N ALA A 197 -2.861 8.055 0.459 1.00 0.00 N ATOM 1093 CA ALA A 197 -3.931 8.760 1.155 1.00 0.00 C ATOM 1094 C ALA A 197 -3.767 8.701 2.673 1.00 0.00 C ATOM 1095 O ALA A 197 -3.940 9.709 3.354 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.287 8.191 0.731 1.00 0.00 C ATOM 0 H ALA A 197 -3.205 7.372 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 197 -3.878 9.812 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.083 8.721 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.413 8.315 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.331 7.131 0.981 1.00 0.00 H new ATOM 1102 N MET A 198 -3.433 7.524 3.208 1.00 0.00 N ATOM 1103 CA MET A 198 -3.250 7.339 4.645 1.00 0.00 C ATOM 1104 C MET A 198 -1.918 7.916 5.141 1.00 0.00 C ATOM 1105 O MET A 198 -1.673 7.929 6.346 1.00 0.00 O ATOM 1106 CB MET A 198 -3.412 5.859 4.998 1.00 0.00 C ATOM 1107 CG MET A 198 -4.860 5.428 4.721 1.00 0.00 C ATOM 1108 SD MET A 198 -5.279 3.707 5.041 1.00 0.00 S ATOM 1109 CE MET A 198 -3.916 2.909 4.181 1.00 0.00 C ATOM 0 H MET A 198 -3.283 6.678 2.658 1.00 0.00 H new ATOM 0 HA MET A 198 -4.023 7.903 5.167 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.721 5.255 4.409 1.00 0.00 H new ATOM 0 HB3 MET A 198 -3.165 5.694 6.047 1.00 0.00 H new ATOM 0 HG2 MET A 198 -5.520 6.054 5.321 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.082 5.641 3.675 1.00 0.00 H new ATOM 0 HE1 MET A 198 -4.235 1.931 3.822 1.00 0.00 H new ATOM 0 HE2 MET A 198 -3.610 3.524 3.335 1.00 0.00 H new ATOM 0 HE3 MET A 198 -3.076 2.788 4.864 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.069 8.417 4.242 1.00 0.00 N ATOM 1120 CA GLY A 199 0.174 9.067 4.606 1.00 0.00 C ATOM 1121 C GLY A 199 1.305 8.084 4.873 1.00 0.00 C ATOM 1122 O GLY A 199 2.135 8.348 5.742 1.00 0.00 O ATOM 0 H GLY A 199 -1.233 8.379 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.471 9.745 3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 199 0.012 9.676 5.495 1.00 0.00 H new ATOM 1126 N MET A 200 1.386 6.986 4.111 1.00 0.00 N ATOM 1127 CA MET A 200 2.532 6.090 4.234 1.00 0.00 C ATOM 1128 C MET A 200 3.781 6.921 3.930 1.00 0.00 C ATOM 1129 O MET A 200 3.836 7.587 2.895 1.00 0.00 O ATOM 1130 CB MET A 200 2.427 4.909 3.257 1.00 0.00 C ATOM 1131 CG MET A 200 1.561 3.772 3.804 1.00 0.00 C ATOM 1132 SD MET A 200 2.287 2.951 5.238 1.00 0.00 S ATOM 1133 CE MET A 200 1.151 1.577 5.486 1.00 0.00 C ATOM 0 H MET A 200 0.689 6.705 3.421 1.00 0.00 H new ATOM 0 HA MET A 200 2.573 5.666 5.237 1.00 0.00 H new ATOM 0 HB2 MET A 200 2.009 5.258 2.313 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.426 4.530 3.042 1.00 0.00 H new ATOM 0 HG2 MET A 200 0.583 4.168 4.077 1.00 0.00 H new ATOM 0 HG3 MET A 200 1.399 3.037 3.016 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.335 1.124 6.460 1.00 0.00 H new ATOM 0 HE2 MET A 200 0.125 1.941 5.443 1.00 0.00 H new ATOM 0 HE3 MET A 200 1.304 0.832 4.705 1.00 0.00 H new ATOM 1143 N LYS A 201 4.760 6.928 4.839 1.00 0.00 N ATOM 1144 CA LYS A 201 5.951 7.742 4.689 1.00 0.00 C ATOM 1145 C LYS A 201 6.817 7.287 3.515 1.00 0.00 C ATOM 1146 O LYS A 201 7.807 6.587 3.707 1.00 0.00 O ATOM 1147 CB LYS A 201 6.739 7.761 6.004 1.00 0.00 C ATOM 1148 CG LYS A 201 5.989 8.447 7.158 1.00 0.00 C ATOM 1149 CD LYS A 201 5.526 9.887 6.887 1.00 0.00 C ATOM 1150 CE LYS A 201 6.672 10.791 6.423 1.00 0.00 C ATOM 1151 NZ LYS A 201 6.215 12.171 6.190 1.00 0.00 N ATOM 0 H LYS A 201 4.742 6.370 5.692 1.00 0.00 H new ATOM 0 HA LYS A 201 5.639 8.760 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.974 6.737 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.688 8.273 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 201 5.116 7.845 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.635 8.451 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 201 4.744 9.878 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 201 5.085 10.301 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 201 7.463 10.791 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 201 7.103 10.390 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 6.806 12.613 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 5.224 12.160 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 6.292 12.716 7.072 1.00 0.00 H new ATOM 1165 N ARG A 202 6.452 7.723 2.307 1.00 0.00 N ATOM 1166 CA ARG A 202 7.154 7.481 1.051 1.00 0.00 C ATOM 1167 C ARG A 202 8.670 7.592 1.245 1.00 0.00 C ATOM 1168 O ARG A 202 9.424 6.748 0.771 1.00 0.00 O ATOM 1169 CB ARG A 202 6.655 8.495 0.008 1.00 0.00 C ATOM 1170 CG ARG A 202 7.113 8.131 -1.410 1.00 0.00 C ATOM 1171 CD ARG A 202 6.743 9.235 -2.407 1.00 0.00 C ATOM 1172 NE ARG A 202 7.084 8.841 -3.783 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.286 8.164 -4.624 1.00 0.00 C ATOM 1174 NH1 ARG A 202 5.067 7.774 -4.243 1.00 0.00 N ATOM 1175 NH2 ARG A 202 6.714 7.867 -5.855 1.00 0.00 N ATOM 0 H ARG A 202 5.611 8.285 2.175 1.00 0.00 H new ATOM 0 HA ARG A 202 6.947 6.469 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.566 8.540 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 202 7.022 9.489 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 202 8.192 7.975 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.652 7.191 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 202 5.676 9.447 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 202 7.268 10.154 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 202 8.007 9.105 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 202 4.733 7.990 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 202 4.470 7.260 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 202 7.646 8.155 -6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 202 6.109 7.353 -6.495 1.00 0.00 H new ATOM 1189 N GLU A 203 9.113 8.619 1.974 1.00 0.00 N ATOM 1190 CA GLU A 203 10.514 8.874 2.265 1.00 0.00 C ATOM 1191 C GLU A 203 11.218 7.625 2.807 1.00 0.00 C ATOM 1192 O GLU A 203 12.341 7.319 2.408 1.00 0.00 O ATOM 1193 CB GLU A 203 10.621 10.033 3.266 1.00 0.00 C ATOM 1194 CG GLU A 203 9.974 11.336 2.764 1.00 0.00 C ATOM 1195 CD GLU A 203 8.559 11.547 3.306 1.00 0.00 C ATOM 1196 OE1 GLU A 203 7.671 10.762 2.907 1.00 0.00 O ATOM 1197 OE2 GLU A 203 8.394 12.475 4.126 1.00 0.00 O ATOM 0 H GLU A 203 8.486 9.310 2.386 1.00 0.00 H new ATOM 0 HA GLU A 203 11.016 9.145 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.148 9.739 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.673 10.219 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.598 12.181 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.942 11.323 1.675 1.00 0.00 H new ATOM 1204 N ALA A 204 10.551 6.885 3.695 1.00 0.00 N ATOM 1205 CA ALA A 204 11.092 5.677 4.300 1.00 0.00 C ATOM 1206 C ALA A 204 11.456 4.617 3.256 1.00 0.00 C ATOM 1207 O ALA A 204 12.347 3.808 3.493 1.00 0.00 O ATOM 1208 CB ALA A 204 10.109 5.130 5.334 1.00 0.00 C ATOM 0 H ALA A 204 9.610 7.114 4.015 1.00 0.00 H new ATOM 0 HA ALA A 204 12.022 5.940 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.519 4.226 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 204 9.943 5.878 6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.162 4.896 4.848 1.00 0.00 H new ATOM 1214 N VAL A 205 10.829 4.628 2.076 1.00 0.00 N ATOM 1215 CA VAL A 205 11.202 3.694 1.020 1.00 0.00 C ATOM 1216 C VAL A 205 12.663 3.921 0.615 1.00 0.00 C ATOM 1217 O VAL A 205 13.347 2.995 0.182 1.00 0.00 O ATOM 1218 CB VAL A 205 10.233 3.826 -0.166 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.729 3.056 -1.392 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.839 3.351 0.263 1.00 0.00 C ATOM 0 H VAL A 205 10.071 5.266 1.834 1.00 0.00 H new ATOM 0 HA VAL A 205 11.124 2.670 1.385 1.00 0.00 H new ATOM 0 HB VAL A 205 10.180 4.875 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 205 10.017 3.174 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.700 3.446 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.824 1.999 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.149 3.443 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.891 2.309 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.485 3.963 1.093 1.00 0.00 H new ATOM 1230 N GLN A 206 13.170 5.145 0.780 1.00 0.00 N ATOM 1231 CA GLN A 206 14.551 5.481 0.478 1.00 0.00 C ATOM 1232 C GLN A 206 15.493 5.084 1.624 1.00 0.00 C ATOM 1233 O GLN A 206 16.689 5.357 1.545 1.00 0.00 O ATOM 1234 CB GLN A 206 14.649 6.951 0.048 1.00 0.00 C ATOM 1235 CG GLN A 206 13.642 7.314 -1.065 1.00 0.00 C ATOM 1236 CD GLN A 206 13.886 6.601 -2.395 1.00 0.00 C ATOM 1237 OE1 GLN A 206 14.349 7.199 -3.362 1.00 0.00 O ATOM 1238 NE2 GLN A 206 13.587 5.309 -2.474 1.00 0.00 N ATOM 0 H GLN A 206 12.624 5.932 1.130 1.00 0.00 H new ATOM 0 HA GLN A 206 14.895 4.891 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.475 7.591 0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.661 7.156 -0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.636 7.077 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 206 13.676 8.391 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 206 13.203 4.824 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 206 13.742 4.802 -3.346 1.00 0.00 H new ATOM 1247 N GLU A 207 15.005 4.358 2.644 1.00 0.00 N ATOM 1248 CA GLU A 207 15.855 3.816 3.701 1.00 0.00 C ATOM 1249 C GLU A 207 16.966 2.970 3.064 1.00 0.00 C ATOM 1250 O GLU A 207 18.067 2.867 3.599 1.00 0.00 O ATOM 1251 CB GLU A 207 15.006 2.993 4.684 1.00 0.00 C ATOM 1252 CG GLU A 207 15.816 2.475 5.882 1.00 0.00 C ATOM 1253 CD GLU A 207 14.989 1.620 6.839 1.00 0.00 C ATOM 1254 OE1 GLU A 207 13.745 1.731 6.794 1.00 0.00 O ATOM 1255 OE2 GLU A 207 15.625 0.862 7.605 1.00 0.00 O ATOM 0 H GLU A 207 14.016 4.135 2.753 1.00 0.00 H new ATOM 0 HA GLU A 207 16.319 4.625 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.182 3.607 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.565 2.147 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.659 1.889 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 207 16.230 3.323 6.427 1.00 0.00 H new