USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 198 TYR OH : rot -14:sc= 1.28 USER MOD Set 1.2: A 205 LYS NZ :NH3+ -151:sc= 0.244 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.4!) USER MOD Single : A 164 LYS NZ :NH3+ 167:sc= -0.0225 (180deg=-0.275) USER MOD Single : A 165 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.36) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -90:sc= 1.69 USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 182 LYS NZ :NH3+ 166:sc= -0.0159 (180deg=-0.204) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl -157:sc= -0.199 (180deg=-1) USER MOD Single : A 194 CYS SG : rot 180:sc= -1.6 USER MOD Single : A 195 CYS SG : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 1.19 K(o=1.2,f=-4.2!) USER MOD Single : A 206 LYS NZ :NH3+ 154:sc= -0.12 (180deg=-0.547) USER MOD Single : A 212 THR OG1 : rot 86:sc= 0.532 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 73:sc= 1.09 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 7.797 14.225 -7.308 1.00 12.10 N ATOM 115 CA LYS A 154 7.954 12.780 -7.535 1.00 52.14 C ATOM 116 C LYS A 154 6.610 12.062 -7.770 1.00 32.44 C ATOM 117 O LYS A 154 5.562 12.514 -7.302 1.00 50.22 O ATOM 118 CB LYS A 154 8.682 12.144 -6.345 1.00 14.43 C ATOM 119 CG LYS A 154 10.039 12.772 -6.056 1.00 42.43 C ATOM 120 CD LYS A 154 10.862 11.940 -5.077 1.00 14.52 C ATOM 121 CE LYS A 154 11.166 10.549 -5.628 1.00 42.31 C ATOM 122 NZ LYS A 154 12.242 9.869 -4.857 1.00 13.03 N ATOM 0 HA LYS A 154 8.543 12.661 -8.445 1.00 52.14 H new ATOM 0 HB2 LYS A 154 8.055 12.230 -5.458 1.00 14.43 H new ATOM 0 HB3 LYS A 154 8.817 11.080 -6.539 1.00 14.43 H new ATOM 0 HG2 LYS A 154 10.592 12.884 -6.989 1.00 42.43 H new ATOM 0 HG3 LYS A 154 9.895 13.773 -5.648 1.00 42.43 H new ATOM 0 HD2 LYS A 154 11.797 12.456 -4.858 1.00 14.52 H new ATOM 0 HD3 LYS A 154 10.321 11.847 -4.135 1.00 14.52 H new ATOM 0 HE2 LYS A 154 10.261 9.942 -5.601 1.00 42.31 H new ATOM 0 HE3 LYS A 154 11.464 10.630 -6.673 1.00 42.31 H new ATOM 0 HZ1 LYS A 154 12.418 8.928 -5.263 1.00 13.03 H new ATOM 0 HZ2 LYS A 154 13.113 10.435 -4.904 1.00 13.03 H new ATOM 0 HZ3 LYS A 154 11.947 9.768 -3.865 1.00 13.03 H new ATOM 136 N PRO A 155 6.629 10.928 -8.507 1.00 25.00 N ATOM 137 CA PRO A 155 5.419 10.124 -8.758 1.00 24.54 C ATOM 138 C PRO A 155 4.795 9.615 -7.453 1.00 54.40 C ATOM 139 O PRO A 155 5.505 9.183 -6.544 1.00 32.23 O ATOM 140 CB PRO A 155 5.928 8.956 -9.624 1.00 64.54 C ATOM 141 CG PRO A 155 7.403 8.913 -9.392 1.00 20.11 C ATOM 142 CD PRO A 155 7.820 10.336 -9.146 1.00 13.23 C ATOM 0 HA PRO A 155 4.632 10.700 -9.244 1.00 24.54 H new ATOM 0 HB2 PRO A 155 5.456 8.017 -9.336 1.00 64.54 H new ATOM 0 HB3 PRO A 155 5.699 9.117 -10.677 1.00 64.54 H new ATOM 0 HG2 PRO A 155 7.646 8.281 -8.538 1.00 20.11 H new ATOM 0 HG3 PRO A 155 7.923 8.497 -10.255 1.00 20.11 H new ATOM 0 HD2 PRO A 155 8.695 10.393 -8.499 1.00 13.23 H new ATOM 0 HD3 PRO A 155 8.076 10.847 -10.074 1.00 13.23 H new ATOM 150 N ILE A 156 3.470 9.670 -7.352 1.00 13.12 N ATOM 151 CA ILE A 156 2.783 9.312 -6.105 1.00 23.25 C ATOM 152 C ILE A 156 1.841 8.109 -6.267 1.00 43.10 C ATOM 153 O ILE A 156 1.405 7.780 -7.373 1.00 20.25 O ATOM 154 CB ILE A 156 2.009 10.530 -5.523 1.00 5.24 C ATOM 155 CG1 ILE A 156 0.966 11.086 -6.522 1.00 11.13 C ATOM 156 CG2 ILE A 156 2.985 11.630 -5.106 1.00 4.12 C ATOM 157 CD1 ILE A 156 -0.373 10.370 -6.498 1.00 62.42 C ATOM 0 H ILE A 156 2.850 9.956 -8.110 1.00 13.12 H new ATOM 0 HA ILE A 156 3.561 9.017 -5.401 1.00 23.25 H new ATOM 0 HB ILE A 156 1.466 10.182 -4.645 1.00 5.24 H new ATOM 0 HG12 ILE A 156 0.803 12.142 -6.307 1.00 11.13 H new ATOM 0 HG13 ILE A 156 1.378 11.025 -7.529 1.00 11.13 H new ATOM 0 HG21 ILE A 156 2.429 12.475 -4.701 1.00 4.12 H new ATOM 0 HG22 ILE A 156 3.664 11.245 -4.346 1.00 4.12 H new ATOM 0 HG23 ILE A 156 3.559 11.955 -5.974 1.00 4.12 H new ATOM 0 HD11 ILE A 156 -1.042 10.825 -7.229 1.00 62.42 H new ATOM 0 HD12 ILE A 156 -0.228 9.318 -6.745 1.00 62.42 H new ATOM 0 HD13 ILE A 156 -0.812 10.452 -5.504 1.00 62.42 H new ATOM 169 N VAL A 157 1.545 7.455 -5.146 1.00 11.04 N ATOM 170 CA VAL A 157 0.621 6.317 -5.105 1.00 4.13 C ATOM 171 C VAL A 157 -0.463 6.545 -4.035 1.00 74.52 C ATOM 172 O VAL A 157 -0.153 6.835 -2.876 1.00 65.04 O ATOM 173 CB VAL A 157 1.372 4.994 -4.789 1.00 64.15 C ATOM 174 CG1 VAL A 157 0.420 3.800 -4.821 1.00 64.52 C ATOM 175 CG2 VAL A 157 2.542 4.784 -5.752 1.00 2.12 C ATOM 0 H VAL A 157 1.939 7.698 -4.237 1.00 11.04 H new ATOM 0 HA VAL A 157 0.158 6.235 -6.088 1.00 4.13 H new ATOM 0 HB VAL A 157 1.776 5.074 -3.780 1.00 64.15 H new ATOM 0 HG11 VAL A 157 0.973 2.888 -4.596 1.00 64.52 H new ATOM 0 HG12 VAL A 157 -0.365 3.941 -4.078 1.00 64.52 H new ATOM 0 HG13 VAL A 157 -0.028 3.718 -5.811 1.00 64.52 H new ATOM 0 HG21 VAL A 157 3.050 3.851 -5.509 1.00 2.12 H new ATOM 0 HG22 VAL A 157 2.168 4.737 -6.775 1.00 2.12 H new ATOM 0 HG23 VAL A 157 3.243 5.614 -5.660 1.00 2.12 H new ATOM 185 N ARG A 158 -1.734 6.414 -4.418 1.00 54.52 N ATOM 186 CA ARG A 158 -2.844 6.668 -3.491 1.00 33.23 C ATOM 187 C ARG A 158 -3.241 5.395 -2.732 1.00 71.44 C ATOM 188 O ARG A 158 -3.944 4.535 -3.257 1.00 23.14 O ATOM 189 CB ARG A 158 -4.051 7.245 -4.243 1.00 52.01 C ATOM 190 CG ARG A 158 -3.761 8.587 -4.911 1.00 64.34 C ATOM 191 CD ARG A 158 -5.000 9.186 -5.571 1.00 54.05 C ATOM 192 NE ARG A 158 -4.731 10.516 -6.118 1.00 64.41 N ATOM 193 CZ ARG A 158 -5.625 11.280 -6.683 1.00 60.34 C ATOM 194 NH1 ARG A 158 -6.858 10.896 -6.791 1.00 43.13 N ATOM 195 NH2 ARG A 158 -5.279 12.444 -7.128 1.00 34.52 N ATOM 0 H ARG A 158 -2.022 6.136 -5.356 1.00 54.52 H new ATOM 0 HA ARG A 158 -2.506 7.401 -2.758 1.00 33.23 H new ATOM 0 HB2 ARG A 158 -4.373 6.531 -5.002 1.00 52.01 H new ATOM 0 HB3 ARG A 158 -4.881 7.365 -3.546 1.00 52.01 H new ATOM 0 HG2 ARG A 158 -3.375 9.284 -4.167 1.00 64.34 H new ATOM 0 HG3 ARG A 158 -2.980 8.456 -5.660 1.00 64.34 H new ATOM 0 HD2 ARG A 158 -5.342 8.527 -6.369 1.00 54.05 H new ATOM 0 HD3 ARG A 158 -5.807 9.249 -4.841 1.00 54.05 H new ATOM 0 HE ARG A 158 -3.777 10.871 -6.053 1.00 64.41 H new ATOM 0 HH11 ARG A 158 -7.142 9.985 -6.432 1.00 43.13 H new ATOM 0 HH12 ARG A 158 -7.545 11.505 -7.235 1.00 43.13 H new ATOM 0 HH21 ARG A 158 -4.313 12.759 -7.036 1.00 34.52 H new ATOM 0 HH22 ARG A 158 -5.972 13.047 -7.571 1.00 34.52 H new ATOM 209 N VAL A 159 -2.780 5.282 -1.491 1.00 1.22 N ATOM 210 CA VAL A 159 -3.008 4.082 -0.681 1.00 73.20 C ATOM 211 C VAL A 159 -4.172 4.267 0.311 1.00 11.24 C ATOM 212 O VAL A 159 -4.128 5.138 1.182 1.00 5.14 O ATOM 213 CB VAL A 159 -1.729 3.698 0.103 1.00 33.21 C ATOM 214 CG1 VAL A 159 -1.935 2.407 0.894 1.00 71.35 C ATOM 215 CG2 VAL A 159 -0.535 3.575 -0.844 1.00 43.25 C ATOM 0 H VAL A 159 -2.243 6.009 -1.019 1.00 1.22 H new ATOM 0 HA VAL A 159 -3.270 3.282 -1.373 1.00 73.20 H new ATOM 0 HB VAL A 159 -1.518 4.494 0.817 1.00 33.21 H new ATOM 0 HG11 VAL A 159 -1.021 2.162 1.435 1.00 71.35 H new ATOM 0 HG12 VAL A 159 -2.751 2.541 1.604 1.00 71.35 H new ATOM 0 HG13 VAL A 159 -2.180 1.596 0.209 1.00 71.35 H new ATOM 0 HG21 VAL A 159 0.354 3.305 -0.275 1.00 43.25 H new ATOM 0 HG22 VAL A 159 -0.738 2.804 -1.588 1.00 43.25 H new ATOM 0 HG23 VAL A 159 -0.369 4.528 -1.346 1.00 43.25 H new ATOM 225 N PHE A 160 -5.215 3.456 0.163 1.00 44.11 N ATOM 226 CA PHE A 160 -6.342 3.451 1.101 1.00 50.10 C ATOM 227 C PHE A 160 -6.079 2.471 2.254 1.00 33.41 C ATOM 228 O PHE A 160 -5.838 1.287 2.033 1.00 34.10 O ATOM 229 CB PHE A 160 -7.640 3.079 0.370 1.00 21.13 C ATOM 230 CG PHE A 160 -8.044 4.078 -0.690 1.00 31.10 C ATOM 231 CD1 PHE A 160 -7.571 3.966 -1.991 1.00 70.44 C ATOM 232 CD2 PHE A 160 -8.889 5.132 -0.377 1.00 5.22 C ATOM 233 CE1 PHE A 160 -7.938 4.884 -2.957 1.00 2.02 C ATOM 234 CE2 PHE A 160 -9.258 6.053 -1.342 1.00 34.44 C ATOM 235 CZ PHE A 160 -8.781 5.930 -2.630 1.00 62.13 C ATOM 0 H PHE A 160 -5.307 2.788 -0.602 1.00 44.11 H new ATOM 0 HA PHE A 160 -6.450 4.452 1.518 1.00 50.10 H new ATOM 0 HB2 PHE A 160 -7.519 2.100 -0.093 1.00 21.13 H new ATOM 0 HB3 PHE A 160 -8.445 2.990 1.099 1.00 21.13 H new ATOM 0 HD1 PHE A 160 -6.909 3.153 -2.251 1.00 70.44 H new ATOM 0 HD2 PHE A 160 -9.263 5.235 0.631 1.00 5.22 H new ATOM 0 HE1 PHE A 160 -7.567 4.784 -3.966 1.00 2.02 H new ATOM 0 HE2 PHE A 160 -9.919 6.868 -1.086 1.00 34.44 H new ATOM 0 HZ PHE A 160 -9.066 6.650 -3.383 1.00 62.13 H new ATOM 245 N LEU A 161 -6.125 2.974 3.481 1.00 41.11 N ATOM 246 CA LEU A 161 -5.817 2.171 4.670 1.00 34.51 C ATOM 247 C LEU A 161 -7.096 1.594 5.312 1.00 53.50 C ATOM 248 O LEU A 161 -8.210 2.032 5.005 1.00 42.52 O ATOM 249 CB LEU A 161 -5.051 3.037 5.687 1.00 13.15 C ATOM 250 CG LEU A 161 -3.719 3.622 5.185 1.00 54.03 C ATOM 251 CD1 LEU A 161 -3.071 4.493 6.260 1.00 61.43 C ATOM 252 CD2 LEU A 161 -2.773 2.507 4.744 1.00 24.51 C ATOM 0 H LEU A 161 -6.374 3.942 3.685 1.00 41.11 H new ATOM 0 HA LEU A 161 -5.197 1.328 4.365 1.00 34.51 H new ATOM 0 HB2 LEU A 161 -5.696 3.859 5.997 1.00 13.15 H new ATOM 0 HB3 LEU A 161 -4.853 2.436 6.574 1.00 13.15 H new ATOM 0 HG LEU A 161 -3.927 4.252 4.320 1.00 54.03 H new ATOM 0 HD11 LEU A 161 -2.131 4.896 5.884 1.00 61.43 H new ATOM 0 HD12 LEU A 161 -3.741 5.314 6.516 1.00 61.43 H new ATOM 0 HD13 LEU A 161 -2.878 3.891 7.148 1.00 61.43 H new ATOM 0 HD21 LEU A 161 -1.837 2.942 4.393 1.00 24.51 H new ATOM 0 HD22 LEU A 161 -2.572 1.846 5.587 1.00 24.51 H new ATOM 0 HD23 LEU A 161 -3.234 1.937 3.937 1.00 24.51 H new ATOM 264 N PRO A 162 -6.956 0.576 6.190 1.00 24.02 N ATOM 265 CA PRO A 162 -8.093 0.004 6.943 1.00 22.41 C ATOM 266 C PRO A 162 -8.972 1.059 7.651 1.00 52.33 C ATOM 267 O PRO A 162 -8.510 2.149 7.996 1.00 32.12 O ATOM 268 CB PRO A 162 -7.403 -0.900 7.969 1.00 22.31 C ATOM 269 CG PRO A 162 -6.143 -1.324 7.296 1.00 64.12 C ATOM 270 CD PRO A 162 -5.693 -0.134 6.492 1.00 30.43 C ATOM 0 HA PRO A 162 -8.790 -0.509 6.280 1.00 22.41 H new ATOM 0 HB2 PRO A 162 -7.198 -0.365 8.897 1.00 22.31 H new ATOM 0 HB3 PRO A 162 -8.025 -1.757 8.226 1.00 22.31 H new ATOM 0 HG2 PRO A 162 -5.387 -1.612 8.026 1.00 64.12 H new ATOM 0 HG3 PRO A 162 -6.313 -2.189 6.655 1.00 64.12 H new ATOM 0 HD2 PRO A 162 -5.004 0.495 7.056 1.00 30.43 H new ATOM 0 HD3 PRO A 162 -5.175 -0.437 5.582 1.00 30.43 H new ATOM 278 N ASN A 163 -10.244 0.708 7.862 1.00 53.23 N ATOM 279 CA ASN A 163 -11.240 1.607 8.464 1.00 35.42 C ATOM 280 C ASN A 163 -11.463 2.864 7.600 1.00 54.25 C ATOM 281 O ASN A 163 -11.561 3.983 8.108 1.00 12.05 O ATOM 282 CB ASN A 163 -10.856 1.977 9.907 1.00 22.42 C ATOM 283 CG ASN A 163 -12.009 2.630 10.657 1.00 4.22 C ATOM 284 OD1 ASN A 163 -13.176 2.415 10.341 1.00 43.33 O ATOM 285 ND2 ASN A 163 -11.700 3.410 11.671 1.00 51.20 N ATOM 0 H ASN A 163 -10.616 -0.211 7.620 1.00 53.23 H new ATOM 0 HA ASN A 163 -12.187 1.069 8.503 1.00 35.42 H new ATOM 0 HB2 ASN A 163 -10.540 1.080 10.439 1.00 22.42 H new ATOM 0 HB3 ASN A 163 -10.003 2.656 9.892 1.00 22.42 H new ATOM 0 HD21 ASN A 163 -12.439 3.854 12.217 1.00 51.20 H new ATOM 0 HD22 ASN A 163 -10.722 3.571 11.911 1.00 51.20 H new ATOM 292 N LYS A 164 -11.540 2.655 6.283 1.00 43.02 N ATOM 293 CA LYS A 164 -11.877 3.716 5.315 1.00 62.32 C ATOM 294 C LYS A 164 -10.835 4.851 5.276 1.00 24.41 C ATOM 295 O LYS A 164 -11.053 5.878 4.632 1.00 35.11 O ATOM 296 CB LYS A 164 -13.273 4.290 5.617 1.00 72.32 C ATOM 297 CG LYS A 164 -14.372 3.232 5.693 1.00 24.33 C ATOM 298 CD LYS A 164 -14.512 2.455 4.384 1.00 70.12 C ATOM 299 CE LYS A 164 -15.582 1.373 4.481 1.00 1.20 C ATOM 300 NZ LYS A 164 -16.897 1.926 4.903 1.00 72.23 N ATOM 0 H LYS A 164 -11.371 1.746 5.852 1.00 43.02 H new ATOM 0 HA LYS A 164 -11.874 3.251 4.329 1.00 62.32 H new ATOM 0 HB2 LYS A 164 -13.236 4.831 6.563 1.00 72.32 H new ATOM 0 HB3 LYS A 164 -13.532 5.015 4.845 1.00 72.32 H new ATOM 0 HG2 LYS A 164 -14.152 2.538 6.504 1.00 24.33 H new ATOM 0 HG3 LYS A 164 -15.321 3.712 5.933 1.00 24.33 H new ATOM 0 HD2 LYS A 164 -14.763 3.144 3.577 1.00 70.12 H new ATOM 0 HD3 LYS A 164 -13.556 1.999 4.128 1.00 70.12 H new ATOM 0 HE2 LYS A 164 -15.689 0.881 3.514 1.00 1.20 H new ATOM 0 HE3 LYS A 164 -15.264 0.611 5.193 1.00 1.20 H new ATOM 0 HZ1 LYS A 164 -17.639 1.215 4.746 1.00 72.23 H new ATOM 0 HZ2 LYS A 164 -16.862 2.173 5.913 1.00 72.23 H new ATOM 0 HZ3 LYS A 164 -17.111 2.778 4.345 1.00 72.23 H new ATOM 314 N GLN A 165 -9.701 4.663 5.944 1.00 62.33 N ATOM 315 CA GLN A 165 -8.641 5.676 5.953 1.00 75.42 C ATOM 316 C GLN A 165 -7.927 5.731 4.594 1.00 52.34 C ATOM 317 O GLN A 165 -8.054 4.820 3.776 1.00 24.13 O ATOM 318 CB GLN A 165 -7.636 5.379 7.074 1.00 60.23 C ATOM 319 CG GLN A 165 -8.270 5.312 8.463 1.00 31.32 C ATOM 320 CD GLN A 165 -8.902 6.627 8.894 1.00 50.14 C ATOM 321 OE1 GLN A 165 -8.434 7.706 8.542 1.00 30.41 O ATOM 322 NE2 GLN A 165 -9.982 6.548 9.645 1.00 40.10 N ATOM 0 H GLN A 165 -9.489 3.824 6.485 1.00 62.33 H new ATOM 0 HA GLN A 165 -9.096 6.649 6.137 1.00 75.42 H new ATOM 0 HB2 GLN A 165 -7.140 4.431 6.864 1.00 60.23 H new ATOM 0 HB3 GLN A 165 -6.865 6.149 7.073 1.00 60.23 H new ATOM 0 HG2 GLN A 165 -9.030 4.530 8.472 1.00 31.32 H new ATOM 0 HG3 GLN A 165 -7.510 5.026 9.190 1.00 31.32 H new ATOM 0 HE21 GLN A 165 -10.346 5.636 9.921 1.00 40.10 H new ATOM 0 HE22 GLN A 165 -10.454 7.399 9.951 1.00 40.10 H new ATOM 331 N ARG A 166 -7.173 6.798 4.345 1.00 15.31 N ATOM 332 CA ARG A 166 -6.499 6.962 3.051 1.00 11.12 C ATOM 333 C ARG A 166 -5.274 7.886 3.150 1.00 34.11 C ATOM 334 O ARG A 166 -5.217 8.773 4.002 1.00 25.25 O ATOM 335 CB ARG A 166 -7.482 7.492 1.986 1.00 3.01 C ATOM 336 CG ARG A 166 -7.942 8.939 2.187 1.00 75.51 C ATOM 337 CD ARG A 166 -8.772 9.131 3.455 1.00 23.21 C ATOM 338 NE ARG A 166 -10.003 8.337 3.449 1.00 13.53 N ATOM 339 CZ ARG A 166 -11.188 8.832 3.680 1.00 1.15 C ATOM 340 NH1 ARG A 166 -11.340 10.099 3.883 1.00 53.23 N ATOM 341 NH2 ARG A 166 -12.220 8.059 3.698 1.00 74.51 N ATOM 0 H ARG A 166 -7.012 7.555 5.009 1.00 15.31 H new ATOM 0 HA ARG A 166 -6.145 5.977 2.749 1.00 11.12 H new ATOM 0 HB2 ARG A 166 -7.011 7.410 1.007 1.00 3.01 H new ATOM 0 HB3 ARG A 166 -8.360 6.847 1.972 1.00 3.01 H new ATOM 0 HG2 ARG A 166 -7.068 9.590 2.229 1.00 75.51 H new ATOM 0 HG3 ARG A 166 -8.530 9.251 1.324 1.00 75.51 H new ATOM 0 HD2 ARG A 166 -8.172 8.857 4.323 1.00 23.21 H new ATOM 0 HD3 ARG A 166 -9.025 10.186 3.563 1.00 23.21 H new ATOM 0 HE ARG A 166 -9.930 7.339 3.253 1.00 13.53 H new ATOM 0 HH11 ARG A 166 -10.531 10.719 3.863 1.00 53.23 H new ATOM 0 HH12 ARG A 166 -12.269 10.479 4.063 1.00 53.23 H new ATOM 0 HH21 ARG A 166 -12.111 7.059 3.531 1.00 74.51 H new ATOM 0 HH22 ARG A 166 -13.145 8.448 3.879 1.00 74.51 H new ATOM 355 N THR A 167 -4.301 7.658 2.273 1.00 62.32 N ATOM 356 CA THR A 167 -3.083 8.474 2.213 1.00 32.11 C ATOM 357 C THR A 167 -2.437 8.404 0.820 1.00 22.52 C ATOM 358 O THR A 167 -2.845 7.605 -0.027 1.00 3.52 O ATOM 359 CB THR A 167 -2.038 8.040 3.271 1.00 62.54 C ATOM 360 OG1 THR A 167 -0.859 8.855 3.165 1.00 42.12 O ATOM 361 CG2 THR A 167 -1.662 6.569 3.107 1.00 74.52 C ATOM 0 H THR A 167 -4.330 6.906 1.584 1.00 62.32 H new ATOM 0 HA THR A 167 -3.390 9.498 2.425 1.00 32.11 H new ATOM 0 HB THR A 167 -2.485 8.172 4.256 1.00 62.54 H new ATOM 0 HG1 THR A 167 -0.205 8.574 3.839 1.00 42.12 H new ATOM 0 HG21 THR A 167 -0.927 6.295 3.864 1.00 74.52 H new ATOM 0 HG22 THR A 167 -2.552 5.951 3.224 1.00 74.52 H new ATOM 0 HG23 THR A 167 -1.238 6.410 2.115 1.00 74.52 H new ATOM 369 N VAL A 168 -1.430 9.241 0.586 1.00 51.04 N ATOM 370 CA VAL A 168 -0.701 9.254 -0.689 1.00 12.43 C ATOM 371 C VAL A 168 0.817 9.246 -0.444 1.00 42.44 C ATOM 372 O VAL A 168 1.359 10.150 0.197 1.00 32.40 O ATOM 373 CB VAL A 168 -1.077 10.486 -1.560 1.00 52.23 C ATOM 374 CG1 VAL A 168 -0.370 10.427 -2.910 1.00 33.12 C ATOM 375 CG2 VAL A 168 -2.593 10.586 -1.747 1.00 42.42 C ATOM 0 H VAL A 168 -1.095 9.925 1.264 1.00 51.04 H new ATOM 0 HA VAL A 168 -0.989 8.353 -1.230 1.00 12.43 H new ATOM 0 HB VAL A 168 -0.744 11.382 -1.037 1.00 52.23 H new ATOM 0 HG11 VAL A 168 -0.647 11.298 -3.504 1.00 33.12 H new ATOM 0 HG12 VAL A 168 0.709 10.421 -2.756 1.00 33.12 H new ATOM 0 HG13 VAL A 168 -0.666 9.520 -3.437 1.00 33.12 H new ATOM 0 HG21 VAL A 168 -2.827 11.456 -2.360 1.00 42.42 H new ATOM 0 HG22 VAL A 168 -2.959 9.686 -2.240 1.00 42.42 H new ATOM 0 HG23 VAL A 168 -3.074 10.687 -0.774 1.00 42.42 H new ATOM 385 N VAL A 169 1.499 8.224 -0.954 1.00 60.22 N ATOM 386 CA VAL A 169 2.941 8.057 -0.727 1.00 3.53 C ATOM 387 C VAL A 169 3.748 8.168 -2.035 1.00 33.30 C ATOM 388 O VAL A 169 3.314 7.688 -3.082 1.00 54.52 O ATOM 389 CB VAL A 169 3.248 6.694 -0.050 1.00 23.12 C ATOM 390 CG1 VAL A 169 2.563 6.597 1.312 1.00 1.33 C ATOM 391 CG2 VAL A 169 2.837 5.525 -0.949 1.00 61.43 C ATOM 0 H VAL A 169 1.079 7.494 -1.530 1.00 60.22 H new ATOM 0 HA VAL A 169 3.245 8.867 -0.064 1.00 3.53 H new ATOM 0 HB VAL A 169 4.325 6.634 0.105 1.00 23.12 H new ATOM 0 HG11 VAL A 169 2.793 5.633 1.767 1.00 1.33 H new ATOM 0 HG12 VAL A 169 2.922 7.398 1.958 1.00 1.33 H new ATOM 0 HG13 VAL A 169 1.485 6.690 1.184 1.00 1.33 H new ATOM 0 HG21 VAL A 169 3.064 4.584 -0.448 1.00 61.43 H new ATOM 0 HG22 VAL A 169 1.767 5.580 -1.151 1.00 61.43 H new ATOM 0 HG23 VAL A 169 3.387 5.578 -1.889 1.00 61.43 H new ATOM 401 N PRO A 170 4.929 8.819 -1.999 1.00 24.51 N ATOM 402 CA PRO A 170 5.817 8.914 -3.174 1.00 64.44 C ATOM 403 C PRO A 170 6.417 7.553 -3.577 1.00 53.53 C ATOM 404 O PRO A 170 7.014 6.857 -2.751 1.00 44.45 O ATOM 405 CB PRO A 170 6.931 9.878 -2.712 1.00 41.41 C ATOM 406 CG PRO A 170 6.399 10.536 -1.479 1.00 75.52 C ATOM 407 CD PRO A 170 5.487 9.529 -0.838 1.00 1.33 C ATOM 0 HA PRO A 170 5.278 9.256 -4.057 1.00 64.44 H new ATOM 0 HB2 PRO A 170 7.855 9.339 -2.503 1.00 41.41 H new ATOM 0 HB3 PRO A 170 7.159 10.614 -3.483 1.00 41.41 H new ATOM 0 HG2 PRO A 170 7.209 10.815 -0.805 1.00 75.52 H new ATOM 0 HG3 PRO A 170 5.860 11.451 -1.726 1.00 75.52 H new ATOM 0 HD2 PRO A 170 6.029 8.856 -0.173 1.00 1.33 H new ATOM 0 HD3 PRO A 170 4.709 10.007 -0.243 1.00 1.33 H new ATOM 415 N ALA A 171 6.267 7.179 -4.846 1.00 2.25 N ATOM 416 CA ALA A 171 6.830 5.925 -5.354 1.00 1.01 C ATOM 417 C ALA A 171 8.361 6.009 -5.440 1.00 34.33 C ATOM 418 O ALA A 171 8.918 6.637 -6.345 1.00 42.45 O ATOM 419 CB ALA A 171 6.230 5.592 -6.714 1.00 0.32 C ATOM 0 H ALA A 171 5.761 7.725 -5.543 1.00 2.25 H new ATOM 0 HA ALA A 171 6.577 5.125 -4.658 1.00 1.01 H new ATOM 0 HB1 ALA A 171 6.656 4.658 -7.081 1.00 0.32 H new ATOM 0 HB2 ALA A 171 5.149 5.485 -6.619 1.00 0.32 H new ATOM 0 HB3 ALA A 171 6.454 6.394 -7.417 1.00 0.32 H new ATOM 425 N ARG A 172 9.032 5.383 -4.482 1.00 32.23 N ATOM 426 CA ARG A 172 10.494 5.424 -4.393 1.00 14.10 C ATOM 427 C ARG A 172 11.137 4.144 -4.955 1.00 60.15 C ATOM 428 O ARG A 172 10.785 3.031 -4.561 1.00 65.22 O ATOM 429 CB ARG A 172 10.921 5.614 -2.932 1.00 31.54 C ATOM 430 CG ARG A 172 10.183 6.743 -2.217 1.00 42.10 C ATOM 431 CD ARG A 172 10.650 6.905 -0.776 1.00 52.34 C ATOM 432 NE ARG A 172 9.756 7.775 -0.009 1.00 31.25 N ATOM 433 CZ ARG A 172 10.088 8.950 0.465 1.00 72.43 C ATOM 434 NH1 ARG A 172 11.286 9.418 0.302 1.00 13.12 N ATOM 435 NH2 ARG A 172 9.219 9.648 1.123 1.00 65.43 N ATOM 0 H ARG A 172 8.586 4.835 -3.747 1.00 32.23 H new ATOM 0 HA ARG A 172 10.839 6.265 -4.995 1.00 14.10 H new ATOM 0 HB2 ARG A 172 10.754 4.683 -2.390 1.00 31.54 H new ATOM 0 HB3 ARG A 172 11.992 5.814 -2.899 1.00 31.54 H new ATOM 0 HG2 ARG A 172 10.339 7.677 -2.756 1.00 42.10 H new ATOM 0 HG3 ARG A 172 9.112 6.542 -2.231 1.00 42.10 H new ATOM 0 HD2 ARG A 172 10.702 5.926 -0.299 1.00 52.34 H new ATOM 0 HD3 ARG A 172 11.658 7.319 -0.765 1.00 52.34 H new ATOM 0 HE ARG A 172 8.808 7.443 0.169 1.00 31.25 H new ATOM 0 HH11 ARG A 172 11.984 8.870 -0.201 1.00 13.12 H new ATOM 0 HH12 ARG A 172 11.531 10.335 0.676 1.00 13.12 H new ATOM 0 HH21 ARG A 172 8.278 9.283 1.271 1.00 65.43 H new ATOM 0 HH22 ARG A 172 9.475 10.563 1.493 1.00 65.43 H new ATOM 449 N CYS A 173 12.089 4.311 -5.864 1.00 12.32 N ATOM 450 CA CYS A 173 12.816 3.172 -6.444 1.00 13.12 C ATOM 451 C CYS A 173 13.749 2.528 -5.411 1.00 32.41 C ATOM 452 O CYS A 173 14.615 3.194 -4.841 1.00 33.03 O ATOM 453 CB CYS A 173 13.629 3.622 -7.663 1.00 52.42 C ATOM 454 SG CYS A 173 14.636 2.313 -8.404 1.00 25.54 S ATOM 0 H CYS A 173 12.381 5.221 -6.220 1.00 12.32 H new ATOM 0 HA CYS A 173 12.080 2.431 -6.756 1.00 13.12 H new ATOM 0 HB2 CYS A 173 12.946 4.012 -8.418 1.00 52.42 H new ATOM 0 HB3 CYS A 173 14.281 4.444 -7.368 1.00 52.42 H new ATOM 0 HG CYS A 173 15.283 2.789 -9.426 1.00 25.54 H new ATOM 460 N GLY A 174 13.573 1.230 -5.170 1.00 73.21 N ATOM 461 CA GLY A 174 14.400 0.528 -4.191 1.00 22.02 C ATOM 462 C GLY A 174 13.717 0.350 -2.840 1.00 44.11 C ATOM 463 O GLY A 174 14.166 -0.439 -2.004 1.00 53.04 O ATOM 0 H GLY A 174 12.874 0.649 -5.633 1.00 73.21 H new ATOM 0 HA2 GLY A 174 14.667 -0.452 -4.587 1.00 22.02 H new ATOM 0 HA3 GLY A 174 15.330 1.079 -4.050 1.00 22.02 H new ATOM 467 N VAL A 175 12.635 1.091 -2.615 1.00 11.13 N ATOM 468 CA VAL A 175 11.877 1.002 -1.366 1.00 34.24 C ATOM 469 C VAL A 175 10.629 0.128 -1.547 1.00 52.52 C ATOM 470 O VAL A 175 9.833 0.349 -2.460 1.00 30.10 O ATOM 471 CB VAL A 175 11.455 2.408 -0.870 1.00 60.03 C ATOM 472 CG1 VAL A 175 10.686 2.318 0.447 1.00 1.54 C ATOM 473 CG2 VAL A 175 12.676 3.316 -0.726 1.00 22.14 C ATOM 0 H VAL A 175 12.260 1.764 -3.284 1.00 11.13 H new ATOM 0 HA VAL A 175 12.528 0.545 -0.620 1.00 34.24 H new ATOM 0 HB VAL A 175 10.790 2.844 -1.615 1.00 60.03 H new ATOM 0 HG11 VAL A 175 10.402 3.319 0.772 1.00 1.54 H new ATOM 0 HG12 VAL A 175 9.789 1.715 0.304 1.00 1.54 H new ATOM 0 HG13 VAL A 175 11.317 1.856 1.206 1.00 1.54 H new ATOM 0 HG21 VAL A 175 12.359 4.299 -0.377 1.00 22.14 H new ATOM 0 HG22 VAL A 175 13.370 2.881 -0.006 1.00 22.14 H new ATOM 0 HG23 VAL A 175 13.171 3.416 -1.692 1.00 22.14 H new ATOM 483 N THR A 176 10.461 -0.864 -0.679 1.00 54.23 N ATOM 484 CA THR A 176 9.317 -1.780 -0.768 1.00 74.32 C ATOM 485 C THR A 176 8.040 -1.140 -0.216 1.00 23.20 C ATOM 486 O THR A 176 8.091 -0.168 0.542 1.00 14.14 O ATOM 487 CB THR A 176 9.572 -3.098 0.004 1.00 51.52 C ATOM 488 OG1 THR A 176 9.576 -2.849 1.418 1.00 41.22 O ATOM 489 CG2 THR A 176 10.903 -3.724 -0.404 1.00 4.04 C ATOM 0 H THR A 176 11.098 -1.058 0.094 1.00 54.23 H new ATOM 0 HA THR A 176 9.190 -2.000 -1.828 1.00 74.32 H new ATOM 0 HB THR A 176 8.769 -3.793 -0.244 1.00 51.52 H new ATOM 0 HG1 THR A 176 10.487 -2.635 1.710 1.00 41.22 H new ATOM 0 HG21 THR A 176 11.057 -4.648 0.153 1.00 4.04 H new ATOM 0 HG22 THR A 176 10.890 -3.942 -1.472 1.00 4.04 H new ATOM 0 HG23 THR A 176 11.714 -3.029 -0.185 1.00 4.04 H new ATOM 497 N VAL A 177 6.894 -1.695 -0.597 1.00 65.52 N ATOM 498 CA VAL A 177 5.605 -1.273 -0.044 1.00 64.51 C ATOM 499 C VAL A 177 5.612 -1.418 1.487 1.00 43.03 C ATOM 500 O VAL A 177 5.055 -0.593 2.213 1.00 65.23 O ATOM 501 CB VAL A 177 4.451 -2.121 -0.638 1.00 14.21 C ATOM 502 CG1 VAL A 177 3.098 -1.673 -0.093 1.00 53.41 C ATOM 503 CG2 VAL A 177 4.469 -2.069 -2.168 1.00 71.34 C ATOM 0 H VAL A 177 6.828 -2.441 -1.289 1.00 65.52 H new ATOM 0 HA VAL A 177 5.447 -0.227 -0.308 1.00 64.51 H new ATOM 0 HB VAL A 177 4.606 -3.156 -0.332 1.00 14.21 H new ATOM 0 HG11 VAL A 177 2.309 -2.287 -0.528 1.00 53.41 H new ATOM 0 HG12 VAL A 177 3.088 -1.784 0.991 1.00 53.41 H new ATOM 0 HG13 VAL A 177 2.929 -0.628 -0.352 1.00 53.41 H new ATOM 0 HG21 VAL A 177 3.650 -2.671 -2.562 1.00 71.34 H new ATOM 0 HG22 VAL A 177 4.352 -1.037 -2.498 1.00 71.34 H new ATOM 0 HG23 VAL A 177 5.417 -2.462 -2.534 1.00 71.34 H new ATOM 513 N ARG A 178 6.281 -2.470 1.953 1.00 73.43 N ATOM 514 CA ARG A 178 6.447 -2.747 3.382 1.00 12.31 C ATOM 515 C ARG A 178 7.186 -1.596 4.089 1.00 53.20 C ATOM 516 O ARG A 178 6.713 -1.057 5.090 1.00 43.33 O ATOM 517 CB ARG A 178 7.232 -4.055 3.535 1.00 54.44 C ATOM 518 CG ARG A 178 7.100 -4.739 4.891 1.00 42.33 C ATOM 519 CD ARG A 178 7.937 -6.013 4.930 1.00 22.10 C ATOM 520 NE ARG A 178 7.652 -6.838 6.099 1.00 73.11 N ATOM 521 CZ ARG A 178 8.034 -8.080 6.219 1.00 51.24 C ATOM 522 NH1 ARG A 178 8.714 -8.651 5.276 1.00 63.32 N ATOM 523 NH2 ARG A 178 7.727 -8.753 7.277 1.00 1.24 N ATOM 0 H ARG A 178 6.727 -3.160 1.348 1.00 73.43 H new ATOM 0 HA ARG A 178 5.466 -2.840 3.847 1.00 12.31 H new ATOM 0 HB2 ARG A 178 6.903 -4.750 2.762 1.00 54.44 H new ATOM 0 HB3 ARG A 178 8.287 -3.850 3.351 1.00 54.44 H new ATOM 0 HG2 ARG A 178 7.423 -4.060 5.680 1.00 42.33 H new ATOM 0 HG3 ARG A 178 6.054 -4.978 5.084 1.00 42.33 H new ATOM 0 HD2 ARG A 178 7.750 -6.593 4.026 1.00 22.10 H new ATOM 0 HD3 ARG A 178 8.994 -5.748 4.926 1.00 22.10 H new ATOM 0 HE ARG A 178 7.124 -6.420 6.866 1.00 73.11 H new ATOM 0 HH11 ARG A 178 8.954 -8.130 4.433 1.00 63.32 H new ATOM 0 HH12 ARG A 178 9.009 -9.622 5.376 1.00 63.32 H new ATOM 0 HH21 ARG A 178 7.185 -8.314 8.021 1.00 1.24 H new ATOM 0 HH22 ARG A 178 8.027 -9.724 7.369 1.00 1.24 H new ATOM 537 N ASP A 179 8.346 -1.226 3.550 1.00 3.52 N ATOM 538 CA ASP A 179 9.143 -0.121 4.096 1.00 4.41 C ATOM 539 C ASP A 179 8.444 1.237 3.924 1.00 71.43 C ATOM 540 O ASP A 179 8.566 2.124 4.771 1.00 34.01 O ATOM 541 CB ASP A 179 10.512 -0.072 3.413 1.00 12.25 C ATOM 542 CG ASP A 179 11.356 -1.297 3.706 1.00 53.34 C ATOM 543 OD1 ASP A 179 11.590 -1.582 4.897 1.00 21.30 O ATOM 544 OD2 ASP A 179 11.816 -1.959 2.753 1.00 34.24 O ATOM 0 H ASP A 179 8.759 -1.675 2.733 1.00 3.52 H new ATOM 0 HA ASP A 179 9.262 -0.308 5.163 1.00 4.41 H new ATOM 0 HB2 ASP A 179 10.373 0.019 2.336 1.00 12.25 H new ATOM 0 HB3 ASP A 179 11.046 0.819 3.742 1.00 12.25 H new ATOM 549 N SER A 180 7.726 1.396 2.821 1.00 71.54 N ATOM 550 CA SER A 180 7.086 2.673 2.480 1.00 45.15 C ATOM 551 C SER A 180 5.869 2.973 3.365 1.00 5.42 C ATOM 552 O SER A 180 5.752 4.060 3.933 1.00 30.40 O ATOM 553 CB SER A 180 6.665 2.668 1.005 1.00 12.42 C ATOM 554 OG SER A 180 6.097 3.909 0.617 1.00 52.42 O ATOM 0 H SER A 180 7.567 0.655 2.138 1.00 71.54 H new ATOM 0 HA SER A 180 7.820 3.459 2.657 1.00 45.15 H new ATOM 0 HB2 SER A 180 7.532 2.453 0.380 1.00 12.42 H new ATOM 0 HB3 SER A 180 5.944 1.869 0.835 1.00 12.42 H new ATOM 0 HG SER A 180 5.842 3.871 -0.328 1.00 52.42 H new ATOM 560 N LEU A 181 4.967 2.006 3.490 1.00 12.55 N ATOM 561 CA LEU A 181 3.697 2.226 4.190 1.00 62.35 C ATOM 562 C LEU A 181 3.795 2.032 5.712 1.00 21.43 C ATOM 563 O LEU A 181 2.911 2.477 6.442 1.00 31.44 O ATOM 564 CB LEU A 181 2.615 1.289 3.630 1.00 63.14 C ATOM 565 CG LEU A 181 2.274 1.484 2.143 1.00 42.21 C ATOM 566 CD1 LEU A 181 1.141 0.549 1.722 1.00 30.22 C ATOM 567 CD2 LEU A 181 1.907 2.938 1.860 1.00 25.24 C ATOM 0 H LEU A 181 5.086 1.064 3.119 1.00 12.55 H new ATOM 0 HA LEU A 181 3.431 3.269 4.015 1.00 62.35 H new ATOM 0 HB2 LEU A 181 2.939 0.259 3.778 1.00 63.14 H new ATOM 0 HB3 LEU A 181 1.705 1.424 4.214 1.00 63.14 H new ATOM 0 HG LEU A 181 3.157 1.235 1.555 1.00 42.21 H new ATOM 0 HD11 LEU A 181 0.915 0.703 0.667 1.00 30.22 H new ATOM 0 HD12 LEU A 181 1.445 -0.486 1.881 1.00 30.22 H new ATOM 0 HD13 LEU A 181 0.253 0.762 2.318 1.00 30.22 H new ATOM 0 HD21 LEU A 181 1.669 3.054 0.803 1.00 25.24 H new ATOM 0 HD22 LEU A 181 1.041 3.218 2.459 1.00 25.24 H new ATOM 0 HD23 LEU A 181 2.748 3.582 2.116 1.00 25.24 H new ATOM 579 N LYS A 182 4.858 1.381 6.196 1.00 74.23 N ATOM 580 CA LYS A 182 4.953 1.028 7.626 1.00 42.45 C ATOM 581 C LYS A 182 4.758 2.244 8.558 1.00 51.50 C ATOM 582 O LYS A 182 4.211 2.107 9.652 1.00 2.04 O ATOM 583 CB LYS A 182 6.280 0.311 7.938 1.00 40.32 C ATOM 584 CG LYS A 182 7.530 1.171 7.784 1.00 60.12 C ATOM 585 CD LYS A 182 8.795 0.367 8.087 1.00 2.23 C ATOM 586 CE LYS A 182 10.046 1.239 8.070 1.00 72.12 C ATOM 587 NZ LYS A 182 10.027 2.268 9.143 1.00 74.04 N ATOM 0 H LYS A 182 5.656 1.089 5.632 1.00 74.23 H new ATOM 0 HA LYS A 182 4.131 0.341 7.826 1.00 42.45 H new ATOM 0 HB2 LYS A 182 6.240 -0.066 8.960 1.00 40.32 H new ATOM 0 HB3 LYS A 182 6.370 -0.555 7.282 1.00 40.32 H new ATOM 0 HG2 LYS A 182 7.581 1.565 6.769 1.00 60.12 H new ATOM 0 HG3 LYS A 182 7.471 2.027 8.456 1.00 60.12 H new ATOM 0 HD2 LYS A 182 8.697 -0.107 9.063 1.00 2.23 H new ATOM 0 HD3 LYS A 182 8.901 -0.432 7.353 1.00 2.23 H new ATOM 0 HE2 LYS A 182 10.928 0.609 8.188 1.00 72.12 H new ATOM 0 HE3 LYS A 182 10.132 1.729 7.100 1.00 72.12 H new ATOM 0 HZ1 LYS A 182 10.978 2.676 9.250 1.00 74.04 H new ATOM 0 HZ2 LYS A 182 9.354 3.020 8.891 1.00 74.04 H new ATOM 0 HZ3 LYS A 182 9.736 1.829 10.040 1.00 74.04 H new ATOM 601 N LYS A 183 5.184 3.432 8.122 1.00 75.22 N ATOM 602 CA LYS A 183 4.973 4.655 8.914 1.00 61.12 C ATOM 603 C LYS A 183 3.497 5.093 8.889 1.00 64.22 C ATOM 604 O LYS A 183 2.946 5.524 9.905 1.00 75.53 O ATOM 605 CB LYS A 183 5.882 5.797 8.425 1.00 32.35 C ATOM 606 CG LYS A 183 5.700 6.180 6.956 1.00 4.02 C ATOM 607 CD LYS A 183 6.528 7.411 6.591 1.00 15.04 C ATOM 608 CE LYS A 183 6.404 7.769 5.113 1.00 63.23 C ATOM 609 NZ LYS A 183 7.144 9.018 4.781 1.00 0.40 N ATOM 0 H LYS A 183 5.671 3.577 7.238 1.00 75.22 H new ATOM 0 HA LYS A 183 5.239 4.424 9.945 1.00 61.12 H new ATOM 0 HB2 LYS A 183 5.698 6.677 9.041 1.00 32.35 H new ATOM 0 HB3 LYS A 183 6.921 5.508 8.584 1.00 32.35 H new ATOM 0 HG2 LYS A 183 5.992 5.343 6.322 1.00 4.02 H new ATOM 0 HG3 LYS A 183 4.646 6.377 6.758 1.00 4.02 H new ATOM 0 HD2 LYS A 183 6.205 8.257 7.197 1.00 15.04 H new ATOM 0 HD3 LYS A 183 7.575 7.228 6.832 1.00 15.04 H new ATOM 0 HE2 LYS A 183 6.787 6.948 4.507 1.00 63.23 H new ATOM 0 HE3 LYS A 183 5.352 7.891 4.856 1.00 63.23 H new ATOM 0 HZ1 LYS A 183 7.035 9.227 3.768 1.00 0.40 H new ATOM 0 HZ2 LYS A 183 6.762 9.807 5.340 1.00 0.40 H new ATOM 0 HZ3 LYS A 183 8.152 8.893 5.002 1.00 0.40 H new ATOM 623 N ALA A 184 2.857 4.960 7.727 1.00 12.33 N ATOM 624 CA ALA A 184 1.435 5.289 7.583 1.00 72.43 C ATOM 625 C ALA A 184 0.564 4.296 8.366 1.00 4.40 C ATOM 626 O ALA A 184 -0.503 4.644 8.870 1.00 64.32 O ATOM 627 CB ALA A 184 1.040 5.306 6.109 1.00 24.10 C ATOM 0 H ALA A 184 3.299 4.627 6.870 1.00 12.33 H new ATOM 0 HA ALA A 184 1.269 6.284 7.997 1.00 72.43 H new ATOM 0 HB1 ALA A 184 -0.018 5.552 6.019 1.00 24.10 H new ATOM 0 HB2 ALA A 184 1.632 6.054 5.582 1.00 24.10 H new ATOM 0 HB3 ALA A 184 1.223 4.324 5.672 1.00 24.10 H new ATOM 633 N LEU A 185 1.043 3.059 8.467 1.00 21.54 N ATOM 634 CA LEU A 185 0.372 2.023 9.256 1.00 51.53 C ATOM 635 C LEU A 185 0.561 2.267 10.759 1.00 1.51 C ATOM 636 O LEU A 185 -0.401 2.254 11.531 1.00 72.51 O ATOM 637 CB LEU A 185 0.925 0.640 8.884 1.00 24.42 C ATOM 638 CG LEU A 185 0.738 0.226 7.415 1.00 21.25 C ATOM 639 CD1 LEU A 185 1.389 -1.127 7.151 1.00 52.43 C ATOM 640 CD2 LEU A 185 -0.745 0.198 7.043 1.00 40.53 C ATOM 0 H LEU A 185 1.899 2.746 8.010 1.00 21.54 H new ATOM 0 HA LEU A 185 -0.694 2.062 9.031 1.00 51.53 H new ATOM 0 HB2 LEU A 185 1.990 0.619 9.117 1.00 24.42 H new ATOM 0 HB3 LEU A 185 0.446 -0.106 9.518 1.00 24.42 H new ATOM 0 HG LEU A 185 1.229 0.969 6.786 1.00 21.25 H new ATOM 0 HD11 LEU A 185 1.246 -1.402 6.106 1.00 52.43 H new ATOM 0 HD12 LEU A 185 2.456 -1.066 7.367 1.00 52.43 H new ATOM 0 HD13 LEU A 185 0.932 -1.882 7.791 1.00 52.43 H new ATOM 0 HD21 LEU A 185 -0.853 -0.097 5.999 1.00 40.53 H new ATOM 0 HD22 LEU A 185 -1.266 -0.518 7.679 1.00 40.53 H new ATOM 0 HD23 LEU A 185 -1.175 1.190 7.186 1.00 40.53 H new ATOM 652 N MET A 186 1.811 2.497 11.163 1.00 74.31 N ATOM 653 CA MET A 186 2.153 2.731 12.574 1.00 5.31 C ATOM 654 C MET A 186 1.307 3.856 13.193 1.00 71.10 C ATOM 655 O MET A 186 0.740 3.696 14.274 1.00 54.41 O ATOM 656 CB MET A 186 3.649 3.064 12.703 1.00 65.51 C ATOM 657 CG MET A 186 4.105 3.305 14.137 1.00 72.34 C ATOM 658 SD MET A 186 3.780 1.895 15.212 1.00 32.13 S ATOM 659 CE MET A 186 4.403 2.506 16.776 1.00 1.01 C ATOM 0 H MET A 186 2.611 2.527 10.531 1.00 74.31 H new ATOM 0 HA MET A 186 1.933 1.815 13.123 1.00 5.31 H new ATOM 0 HB2 MET A 186 4.231 2.246 12.279 1.00 65.51 H new ATOM 0 HB3 MET A 186 3.867 3.951 12.109 1.00 65.51 H new ATOM 0 HG2 MET A 186 5.173 3.524 14.143 1.00 72.34 H new ATOM 0 HG3 MET A 186 3.597 4.184 14.533 1.00 72.34 H new ATOM 0 HE1 MET A 186 4.271 1.743 17.543 1.00 1.01 H new ATOM 0 HE2 MET A 186 5.462 2.743 16.678 1.00 1.01 H new ATOM 0 HE3 MET A 186 3.855 3.404 17.060 1.00 1.01 H new ATOM 669 N MET A 187 1.203 4.988 12.494 1.00 63.43 N ATOM 670 CA MET A 187 0.426 6.134 12.994 1.00 45.24 C ATOM 671 C MET A 187 -1.081 5.814 13.111 1.00 23.13 C ATOM 672 O MET A 187 -1.850 6.610 13.647 1.00 31.42 O ATOM 673 CB MET A 187 0.622 7.356 12.087 1.00 53.25 C ATOM 674 CG MET A 187 0.081 7.178 10.674 1.00 3.34 C ATOM 675 SD MET A 187 0.162 8.696 9.699 1.00 0.12 S ATOM 676 CE MET A 187 -0.874 9.790 10.676 1.00 64.42 C ATOM 0 H MET A 187 1.642 5.140 11.586 1.00 63.43 H new ATOM 0 HA MET A 187 0.800 6.355 13.994 1.00 45.24 H new ATOM 0 HB2 MET A 187 0.134 8.216 12.545 1.00 53.25 H new ATOM 0 HB3 MET A 187 1.686 7.586 12.030 1.00 53.25 H new ATOM 0 HG2 MET A 187 0.648 6.396 10.169 1.00 3.34 H new ATOM 0 HG3 MET A 187 -0.954 6.839 10.726 1.00 3.34 H new ATOM 0 HE1 MET A 187 -1.255 10.591 10.043 1.00 64.42 H new ATOM 0 HE2 MET A 187 -1.710 9.226 11.090 1.00 64.42 H new ATOM 0 HE3 MET A 187 -0.287 10.218 11.488 1.00 64.42 H new ATOM 686 N ARG A 188 -1.496 4.661 12.585 1.00 72.31 N ATOM 687 CA ARG A 188 -2.901 4.230 12.661 1.00 64.54 C ATOM 688 C ARG A 188 -3.070 3.017 13.595 1.00 33.30 C ATOM 689 O ARG A 188 -4.192 2.592 13.874 1.00 54.04 O ATOM 690 CB ARG A 188 -3.421 3.870 11.259 1.00 30.53 C ATOM 691 CG ARG A 188 -3.241 4.971 10.219 1.00 25.30 C ATOM 692 CD ARG A 188 -4.008 6.245 10.567 1.00 34.00 C ATOM 693 NE ARG A 188 -3.817 7.284 9.555 1.00 11.55 N ATOM 694 CZ ARG A 188 -4.478 8.409 9.517 1.00 62.51 C ATOM 695 NH1 ARG A 188 -5.362 8.686 10.422 1.00 20.25 N ATOM 696 NH2 ARG A 188 -4.239 9.266 8.577 1.00 15.52 N ATOM 0 H ARG A 188 -0.883 4.006 12.101 1.00 72.31 H new ATOM 0 HA ARG A 188 -3.479 5.060 13.067 1.00 64.54 H new ATOM 0 HB2 ARG A 188 -2.907 2.973 10.913 1.00 30.53 H new ATOM 0 HB3 ARG A 188 -4.480 3.623 11.330 1.00 30.53 H new ATOM 0 HG2 ARG A 188 -2.181 5.205 10.124 1.00 25.30 H new ATOM 0 HG3 ARG A 188 -3.575 4.605 9.248 1.00 25.30 H new ATOM 0 HD2 ARG A 188 -5.070 6.017 10.659 1.00 34.00 H new ATOM 0 HD3 ARG A 188 -3.677 6.616 11.537 1.00 34.00 H new ATOM 0 HE ARG A 188 -3.120 7.118 8.829 1.00 11.55 H new ATOM 0 HH11 ARG A 188 -5.547 8.022 11.174 1.00 20.25 H new ATOM 0 HH12 ARG A 188 -5.873 9.568 10.383 1.00 20.25 H new ATOM 0 HH21 ARG A 188 -3.535 9.062 7.868 1.00 15.52 H new ATOM 0 HH22 ARG A 188 -4.755 10.146 8.546 1.00 15.52 H new ATOM 710 N GLY A 189 -1.954 2.472 14.076 1.00 43.45 N ATOM 711 CA GLY A 189 -1.996 1.262 14.892 1.00 24.25 C ATOM 712 C GLY A 189 -2.077 -0.012 14.055 1.00 54.42 C ATOM 713 O GLY A 189 -2.748 -0.975 14.431 1.00 5.20 O ATOM 0 H GLY A 189 -1.018 2.845 13.916 1.00 43.45 H new ATOM 0 HA2 GLY A 189 -1.107 1.222 15.521 1.00 24.25 H new ATOM 0 HA3 GLY A 189 -2.857 1.309 15.559 1.00 24.25 H new ATOM 717 N LEU A 190 -1.385 -0.018 12.918 1.00 2.43 N ATOM 718 CA LEU A 190 -1.425 -1.144 11.974 1.00 14.32 C ATOM 719 C LEU A 190 -0.009 -1.650 11.643 1.00 60.02 C ATOM 720 O LEU A 190 0.963 -0.902 11.733 1.00 24.25 O ATOM 721 CB LEU A 190 -2.126 -0.697 10.684 1.00 12.44 C ATOM 722 CG LEU A 190 -3.538 -0.108 10.871 1.00 62.32 C ATOM 723 CD1 LEU A 190 -4.026 0.538 9.577 1.00 1.10 C ATOM 724 CD2 LEU A 190 -4.516 -1.184 11.343 1.00 13.31 C ATOM 0 H LEU A 190 -0.783 0.750 12.622 1.00 2.43 H new ATOM 0 HA LEU A 190 -1.975 -1.962 12.438 1.00 14.32 H new ATOM 0 HB2 LEU A 190 -1.502 0.048 10.191 1.00 12.44 H new ATOM 0 HB3 LEU A 190 -2.193 -1.552 10.012 1.00 12.44 H new ATOM 0 HG LEU A 190 -3.488 0.663 11.639 1.00 62.32 H new ATOM 0 HD11 LEU A 190 -5.024 0.948 9.729 1.00 1.10 H new ATOM 0 HD12 LEU A 190 -3.344 1.339 9.291 1.00 1.10 H new ATOM 0 HD13 LEU A 190 -4.058 -0.211 8.786 1.00 1.10 H new ATOM 0 HD21 LEU A 190 -5.506 -0.746 11.468 1.00 13.31 H new ATOM 0 HD22 LEU A 190 -4.564 -1.982 10.603 1.00 13.31 H new ATOM 0 HD23 LEU A 190 -4.177 -1.592 12.295 1.00 13.31 H new ATOM 736 N ILE A 191 0.098 -2.923 11.251 1.00 33.42 N ATOM 737 CA ILE A 191 1.386 -3.522 10.859 1.00 44.00 C ATOM 738 C ILE A 191 1.232 -4.381 9.590 1.00 72.55 C ATOM 739 O ILE A 191 0.166 -4.959 9.353 1.00 60.11 O ATOM 740 CB ILE A 191 1.985 -4.403 11.993 1.00 32.42 C ATOM 741 CG1 ILE A 191 0.999 -5.516 12.391 1.00 24.21 C ATOM 742 CG2 ILE A 191 2.361 -3.549 13.206 1.00 4.21 C ATOM 743 CD1 ILE A 191 1.541 -6.475 13.429 1.00 41.14 C ATOM 0 H ILE A 191 -0.693 -3.564 11.195 1.00 33.42 H new ATOM 0 HA ILE A 191 2.066 -2.693 10.662 1.00 44.00 H new ATOM 0 HB ILE A 191 2.895 -4.871 11.617 1.00 32.42 H new ATOM 0 HG12 ILE A 191 0.087 -5.059 12.774 1.00 24.21 H new ATOM 0 HG13 ILE A 191 0.723 -6.079 11.499 1.00 24.21 H new ATOM 0 HG21 ILE A 191 2.777 -4.187 13.985 1.00 4.21 H new ATOM 0 HG22 ILE A 191 3.102 -2.805 12.912 1.00 4.21 H new ATOM 0 HG23 ILE A 191 1.472 -3.045 13.586 1.00 4.21 H new ATOM 0 HD11 ILE A 191 0.788 -7.229 13.656 1.00 41.14 H new ATOM 0 HD12 ILE A 191 2.436 -6.962 13.042 1.00 41.14 H new ATOM 0 HD13 ILE A 191 1.790 -5.926 14.337 1.00 41.14 H new ATOM 755 N PRO A 192 2.293 -4.479 8.757 1.00 72.45 N ATOM 756 CA PRO A 192 2.265 -5.273 7.508 1.00 24.45 C ATOM 757 C PRO A 192 1.774 -6.720 7.704 1.00 41.24 C ATOM 758 O PRO A 192 1.075 -7.272 6.856 1.00 43.31 O ATOM 759 CB PRO A 192 3.732 -5.260 7.054 1.00 43.33 C ATOM 760 CG PRO A 192 4.286 -4.000 7.623 1.00 15.52 C ATOM 761 CD PRO A 192 3.599 -3.813 8.950 1.00 64.10 C ATOM 0 HA PRO A 192 1.565 -4.852 6.787 1.00 24.45 H new ATOM 0 HB2 PRO A 192 4.270 -6.133 7.424 1.00 43.33 H new ATOM 0 HB3 PRO A 192 3.811 -5.274 5.967 1.00 43.33 H new ATOM 0 HG2 PRO A 192 5.367 -4.069 7.748 1.00 15.52 H new ATOM 0 HG3 PRO A 192 4.095 -3.155 6.961 1.00 15.52 H new ATOM 0 HD2 PRO A 192 4.165 -4.267 9.763 1.00 64.10 H new ATOM 0 HD3 PRO A 192 3.479 -2.758 9.195 1.00 64.10 H new ATOM 769 N GLU A 193 2.145 -7.325 8.828 1.00 64.23 N ATOM 770 CA GLU A 193 1.773 -8.716 9.125 1.00 34.54 C ATOM 771 C GLU A 193 0.266 -8.871 9.415 1.00 54.24 C ATOM 772 O GLU A 193 -0.276 -9.974 9.348 1.00 25.45 O ATOM 773 CB GLU A 193 2.589 -9.241 10.319 1.00 64.30 C ATOM 774 CG GLU A 193 4.084 -9.416 10.039 1.00 43.14 C ATOM 775 CD GLU A 193 4.779 -8.123 9.633 1.00 12.21 C ATOM 776 OE1 GLU A 193 4.703 -7.137 10.396 1.00 5.52 O ATOM 777 OE2 GLU A 193 5.396 -8.086 8.547 1.00 50.14 O ATOM 0 H GLU A 193 2.705 -6.878 9.554 1.00 64.23 H new ATOM 0 HA GLU A 193 1.999 -9.305 8.236 1.00 34.54 H new ATOM 0 HB2 GLU A 193 2.467 -8.554 11.156 1.00 64.30 H new ATOM 0 HB3 GLU A 193 2.176 -10.200 10.631 1.00 64.30 H new ATOM 0 HG2 GLU A 193 4.568 -9.816 10.930 1.00 43.14 H new ATOM 0 HG3 GLU A 193 4.214 -10.154 9.247 1.00 43.14 H new ATOM 784 N CYS A 194 -0.404 -7.764 9.735 1.00 43.14 N ATOM 785 CA CYS A 194 -1.831 -7.794 10.105 1.00 41.32 C ATOM 786 C CYS A 194 -2.748 -7.360 8.949 1.00 13.13 C ATOM 787 O CYS A 194 -3.970 -7.521 9.020 1.00 52.03 O ATOM 788 CB CYS A 194 -2.069 -6.881 11.313 1.00 51.42 C ATOM 789 SG CYS A 194 -3.796 -6.765 11.840 1.00 0.33 S ATOM 0 H CYS A 194 0.012 -6.833 9.747 1.00 43.14 H new ATOM 0 HA CYS A 194 -2.080 -8.826 10.351 1.00 41.32 H new ATOM 0 HB2 CYS A 194 -1.471 -7.243 12.149 1.00 51.42 H new ATOM 0 HB3 CYS A 194 -1.708 -5.881 11.073 1.00 51.42 H new ATOM 0 HG CYS A 194 -3.884 -5.972 12.866 1.00 0.33 H new ATOM 795 N CYS A 195 -2.164 -6.826 7.881 1.00 21.31 N ATOM 796 CA CYS A 195 -2.947 -6.274 6.763 1.00 23.03 C ATOM 797 C CYS A 195 -2.447 -6.773 5.402 1.00 71.35 C ATOM 798 O CYS A 195 -1.405 -7.419 5.303 1.00 44.34 O ATOM 799 CB CYS A 195 -2.903 -4.741 6.802 1.00 41.50 C ATOM 800 SG CYS A 195 -3.559 -4.014 8.327 1.00 14.41 S ATOM 0 H CYS A 195 -1.153 -6.760 7.759 1.00 21.31 H new ATOM 0 HA CYS A 195 -3.974 -6.620 6.882 1.00 23.03 H new ATOM 0 HB2 CYS A 195 -1.871 -4.416 6.673 1.00 41.50 H new ATOM 0 HB3 CYS A 195 -3.468 -4.351 5.955 1.00 41.50 H new ATOM 0 HG CYS A 195 -3.475 -2.718 8.261 1.00 14.41 H new ATOM 806 N ALA A 196 -3.207 -6.468 4.354 1.00 52.33 N ATOM 807 CA ALA A 196 -2.849 -6.863 2.987 1.00 32.41 C ATOM 808 C ALA A 196 -2.995 -5.693 2.006 1.00 53.35 C ATOM 809 O ALA A 196 -3.931 -4.902 2.107 1.00 4.20 O ATOM 810 CB ALA A 196 -3.714 -8.034 2.536 1.00 1.21 C ATOM 0 H ALA A 196 -4.080 -5.946 4.422 1.00 52.33 H new ATOM 0 HA ALA A 196 -1.802 -7.167 2.991 1.00 32.41 H new ATOM 0 HB1 ALA A 196 -3.440 -8.319 1.520 1.00 1.21 H new ATOM 0 HB2 ALA A 196 -3.558 -8.880 3.205 1.00 1.21 H new ATOM 0 HB3 ALA A 196 -4.764 -7.741 2.560 1.00 1.21 H new ATOM 816 N VAL A 197 -2.063 -5.595 1.059 1.00 73.12 N ATOM 817 CA VAL A 197 -2.097 -4.550 0.029 1.00 54.43 C ATOM 818 C VAL A 197 -2.431 -5.149 -1.340 1.00 3.31 C ATOM 819 O VAL A 197 -1.773 -6.087 -1.788 1.00 53.42 O ATOM 820 CB VAL A 197 -0.736 -3.811 -0.081 1.00 52.52 C ATOM 821 CG1 VAL A 197 -0.808 -2.682 -1.108 1.00 14.52 C ATOM 822 CG2 VAL A 197 -0.290 -3.279 1.277 1.00 32.33 C ATOM 0 H VAL A 197 -1.269 -6.230 0.981 1.00 73.12 H new ATOM 0 HA VAL A 197 -2.869 -3.840 0.327 1.00 54.43 H new ATOM 0 HB VAL A 197 0.008 -4.532 -0.422 1.00 52.52 H new ATOM 0 HG11 VAL A 197 0.158 -2.180 -1.166 1.00 14.52 H new ATOM 0 HG12 VAL A 197 -1.062 -3.094 -2.085 1.00 14.52 H new ATOM 0 HG13 VAL A 197 -1.572 -1.965 -0.807 1.00 14.52 H new ATOM 0 HG21 VAL A 197 0.666 -2.766 1.171 1.00 32.33 H new ATOM 0 HG22 VAL A 197 -1.036 -2.581 1.657 1.00 32.33 H new ATOM 0 HG23 VAL A 197 -0.181 -4.109 1.975 1.00 32.33 H new ATOM 832 N TYR A 198 -3.451 -4.621 -2.006 1.00 63.30 N ATOM 833 CA TYR A 198 -3.778 -5.064 -3.364 1.00 55.41 C ATOM 834 C TYR A 198 -4.227 -3.899 -4.254 1.00 4.22 C ATOM 835 O TYR A 198 -4.756 -2.894 -3.772 1.00 53.32 O ATOM 836 CB TYR A 198 -4.856 -6.161 -3.344 1.00 32.20 C ATOM 837 CG TYR A 198 -6.190 -5.738 -2.753 1.00 12.01 C ATOM 838 CD1 TYR A 198 -6.447 -5.887 -1.394 1.00 70.24 C ATOM 839 CD2 TYR A 198 -7.198 -5.208 -3.557 1.00 40.23 C ATOM 840 CE1 TYR A 198 -7.666 -5.525 -0.855 1.00 55.00 C ATOM 841 CE2 TYR A 198 -8.414 -4.839 -3.022 1.00 73.21 C ATOM 842 CZ TYR A 198 -8.644 -5.000 -1.673 1.00 14.54 C ATOM 843 OH TYR A 198 -9.863 -4.644 -1.144 1.00 72.01 O ATOM 0 H TYR A 198 -4.063 -3.893 -1.637 1.00 63.30 H new ATOM 0 HA TYR A 198 -2.864 -5.478 -3.790 1.00 55.41 H new ATOM 0 HB2 TYR A 198 -5.021 -6.506 -4.365 1.00 32.20 H new ATOM 0 HB3 TYR A 198 -4.477 -7.011 -2.777 1.00 32.20 H new ATOM 0 HD1 TYR A 198 -5.681 -6.292 -0.750 1.00 70.24 H new ATOM 0 HD2 TYR A 198 -7.024 -5.084 -4.616 1.00 40.23 H new ATOM 0 HE1 TYR A 198 -7.852 -5.652 0.201 1.00 55.00 H new ATOM 0 HE2 TYR A 198 -9.183 -4.425 -3.658 1.00 73.21 H new ATOM 0 HH TYR A 198 -9.954 -5.025 -0.246 1.00 72.01 H new ATOM 853 N ARG A 199 -4.006 -4.045 -5.555 1.00 14.15 N ATOM 854 CA ARG A 199 -4.418 -3.037 -6.539 1.00 20.44 C ATOM 855 C ARG A 199 -5.583 -3.557 -7.387 1.00 5.33 C ATOM 856 O ARG A 199 -5.813 -4.765 -7.465 1.00 21.03 O ATOM 857 CB ARG A 199 -3.236 -2.666 -7.446 1.00 2.22 C ATOM 858 CG ARG A 199 -2.647 -3.854 -8.203 1.00 62.31 C ATOM 859 CD ARG A 199 -1.541 -3.435 -9.166 1.00 32.54 C ATOM 860 NE ARG A 199 -2.034 -2.536 -10.209 1.00 34.53 N ATOM 861 CZ ARG A 199 -1.828 -2.708 -11.485 1.00 24.12 C ATOM 862 NH1 ARG A 199 -1.160 -3.730 -11.912 1.00 10.54 N ATOM 863 NH2 ARG A 199 -2.294 -1.857 -12.333 1.00 72.04 N ATOM 0 H ARG A 199 -3.540 -4.857 -5.961 1.00 14.15 H new ATOM 0 HA ARG A 199 -4.747 -2.147 -6.002 1.00 20.44 H new ATOM 0 HB2 ARG A 199 -3.563 -1.914 -8.165 1.00 2.22 H new ATOM 0 HB3 ARG A 199 -2.454 -2.209 -6.840 1.00 2.22 H new ATOM 0 HG2 ARG A 199 -2.250 -4.576 -7.489 1.00 62.31 H new ATOM 0 HG3 ARG A 199 -3.439 -4.357 -8.759 1.00 62.31 H new ATOM 0 HD2 ARG A 199 -0.744 -2.942 -8.610 1.00 32.54 H new ATOM 0 HD3 ARG A 199 -1.107 -4.322 -9.627 1.00 32.54 H new ATOM 0 HE ARG A 199 -2.574 -1.721 -9.919 1.00 34.53 H new ATOM 0 HH11 ARG A 199 -0.789 -4.410 -11.249 1.00 10.54 H new ATOM 0 HH12 ARG A 199 -1.004 -3.856 -12.912 1.00 10.54 H new ATOM 0 HH21 ARG A 199 -2.824 -1.049 -12.006 1.00 72.04 H new ATOM 0 HH22 ARG A 199 -2.133 -1.991 -13.331 1.00 72.04 H new ATOM 877 N ILE A 200 -6.317 -2.650 -8.020 1.00 74.41 N ATOM 878 CA ILE A 200 -7.465 -3.035 -8.846 1.00 74.41 C ATOM 879 C ILE A 200 -7.255 -2.645 -10.318 1.00 0.31 C ATOM 880 O ILE A 200 -7.081 -1.468 -10.645 1.00 42.02 O ATOM 881 CB ILE A 200 -8.781 -2.400 -8.315 1.00 23.34 C ATOM 882 CG1 ILE A 200 -9.048 -2.856 -6.864 1.00 23.22 C ATOM 883 CG2 ILE A 200 -9.963 -2.755 -9.224 1.00 52.10 C ATOM 884 CD1 ILE A 200 -10.328 -2.301 -6.268 1.00 43.22 C ATOM 0 H ILE A 200 -6.143 -1.646 -7.980 1.00 74.41 H new ATOM 0 HA ILE A 200 -7.551 -4.120 -8.784 1.00 74.41 H new ATOM 0 HB ILE A 200 -8.668 -1.316 -8.321 1.00 23.34 H new ATOM 0 HG12 ILE A 200 -9.090 -3.945 -6.838 1.00 23.22 H new ATOM 0 HG13 ILE A 200 -8.208 -2.554 -6.239 1.00 23.22 H new ATOM 0 HG21 ILE A 200 -10.873 -2.300 -8.832 1.00 52.10 H new ATOM 0 HG22 ILE A 200 -9.774 -2.380 -10.230 1.00 52.10 H new ATOM 0 HG23 ILE A 200 -10.084 -3.838 -9.257 1.00 52.10 H new ATOM 0 HD11 ILE A 200 -10.443 -2.668 -5.248 1.00 43.22 H new ATOM 0 HD12 ILE A 200 -10.283 -1.212 -6.259 1.00 43.22 H new ATOM 0 HD13 ILE A 200 -11.179 -2.624 -6.868 1.00 43.22 H new ATOM 896 N GLN A 201 -7.260 -3.644 -11.195 1.00 73.22 N ATOM 897 CA GLN A 201 -7.132 -3.421 -12.641 1.00 43.42 C ATOM 898 C GLN A 201 -7.834 -4.548 -13.406 1.00 63.53 C ATOM 899 O GLN A 201 -7.914 -5.672 -12.913 1.00 61.41 O ATOM 900 CB GLN A 201 -5.654 -3.342 -13.058 1.00 42.05 C ATOM 901 CG GLN A 201 -5.447 -2.897 -14.505 1.00 14.14 C ATOM 902 CD GLN A 201 -3.998 -2.980 -14.950 1.00 32.31 C ATOM 903 OE1 GLN A 201 -3.226 -2.041 -14.792 1.00 13.41 O ATOM 904 NE2 GLN A 201 -3.620 -4.103 -15.522 1.00 63.12 N ATOM 0 H GLN A 201 -7.352 -4.625 -10.932 1.00 73.22 H new ATOM 0 HA GLN A 201 -7.605 -2.470 -12.885 1.00 43.42 H new ATOM 0 HB2 GLN A 201 -5.136 -2.648 -12.396 1.00 42.05 H new ATOM 0 HB3 GLN A 201 -5.194 -4.320 -12.919 1.00 42.05 H new ATOM 0 HG2 GLN A 201 -6.059 -3.517 -15.161 1.00 14.14 H new ATOM 0 HG3 GLN A 201 -5.798 -1.871 -14.617 1.00 14.14 H new ATOM 0 HE21 GLN A 201 -4.287 -4.866 -15.639 1.00 63.12 H new ATOM 0 HE22 GLN A 201 -2.660 -4.211 -15.849 1.00 63.12 H new ATOM 913 N ASP A 202 -8.357 -4.241 -14.594 1.00 3.34 N ATOM 914 CA ASP A 202 -9.101 -5.222 -15.402 1.00 3.12 C ATOM 915 C ASP A 202 -10.379 -5.695 -14.679 1.00 15.34 C ATOM 916 O ASP A 202 -10.980 -6.704 -15.055 1.00 3.34 O ATOM 917 CB ASP A 202 -8.212 -6.432 -15.738 1.00 71.42 C ATOM 918 CG ASP A 202 -6.981 -6.053 -16.542 1.00 50.41 C ATOM 919 OD1 ASP A 202 -7.101 -5.885 -17.773 1.00 24.15 O ATOM 920 OD2 ASP A 202 -5.885 -5.935 -15.956 1.00 1.44 O ATOM 0 H ASP A 202 -8.281 -3.319 -15.023 1.00 3.34 H new ATOM 0 HA ASP A 202 -9.396 -4.727 -16.328 1.00 3.12 H new ATOM 0 HB2 ASP A 202 -7.901 -6.916 -14.812 1.00 71.42 H new ATOM 0 HB3 ASP A 202 -8.796 -7.162 -16.299 1.00 71.42 H new ATOM 925 N GLY A 203 -10.799 -4.944 -13.657 1.00 20.53 N ATOM 926 CA GLY A 203 -11.923 -5.361 -12.819 1.00 54.03 C ATOM 927 C GLY A 203 -11.531 -6.417 -11.786 1.00 52.22 C ATOM 928 O GLY A 203 -12.374 -6.921 -11.041 1.00 74.00 O ATOM 0 H GLY A 203 -10.381 -4.052 -13.393 1.00 20.53 H new ATOM 0 HA2 GLY A 203 -12.330 -4.490 -12.305 1.00 54.03 H new ATOM 0 HA3 GLY A 203 -12.716 -5.757 -13.453 1.00 54.03 H new ATOM 932 N GLU A 204 -10.240 -6.731 -11.734 1.00 51.04 N ATOM 933 CA GLU A 204 -9.710 -7.786 -10.864 1.00 42.34 C ATOM 934 C GLU A 204 -8.932 -7.209 -9.666 1.00 44.45 C ATOM 935 O GLU A 204 -8.405 -6.094 -9.727 1.00 32.50 O ATOM 936 CB GLU A 204 -8.771 -8.684 -11.682 1.00 2.23 C ATOM 937 CG GLU A 204 -9.461 -9.479 -12.790 1.00 11.23 C ATOM 938 CD GLU A 204 -10.186 -10.704 -12.261 1.00 71.33 C ATOM 939 OE1 GLU A 204 -9.500 -11.666 -11.853 1.00 31.13 O ATOM 940 OE2 GLU A 204 -11.432 -10.717 -12.243 1.00 21.41 O ATOM 0 H GLU A 204 -9.527 -6.263 -12.293 1.00 51.04 H new ATOM 0 HA GLU A 204 -10.554 -8.355 -10.475 1.00 42.34 H new ATOM 0 HB2 GLU A 204 -7.993 -8.064 -12.127 1.00 2.23 H new ATOM 0 HB3 GLU A 204 -8.276 -9.381 -11.006 1.00 2.23 H new ATOM 0 HG2 GLU A 204 -10.172 -8.834 -13.306 1.00 11.23 H new ATOM 0 HG3 GLU A 204 -8.719 -9.789 -13.526 1.00 11.23 H new ATOM 947 N LYS A 205 -8.864 -7.977 -8.576 1.00 74.00 N ATOM 948 CA LYS A 205 -8.002 -7.636 -7.439 1.00 1.43 C ATOM 949 C LYS A 205 -6.648 -8.352 -7.551 1.00 55.10 C ATOM 950 O LYS A 205 -6.589 -9.573 -7.692 1.00 74.21 O ATOM 951 CB LYS A 205 -8.666 -8.010 -6.106 1.00 50.40 C ATOM 952 CG LYS A 205 -9.854 -7.133 -5.730 1.00 41.21 C ATOM 953 CD LYS A 205 -10.364 -7.451 -4.324 1.00 52.33 C ATOM 954 CE LYS A 205 -11.490 -6.515 -3.902 1.00 40.40 C ATOM 955 NZ LYS A 205 -11.856 -6.691 -2.470 1.00 22.34 N ATOM 0 H LYS A 205 -9.395 -8.839 -8.456 1.00 74.00 H new ATOM 0 HA LYS A 205 -7.844 -6.558 -7.462 1.00 1.43 H new ATOM 0 HB2 LYS A 205 -8.997 -9.047 -6.157 1.00 50.40 H new ATOM 0 HB3 LYS A 205 -7.921 -7.951 -5.313 1.00 50.40 H new ATOM 0 HG2 LYS A 205 -9.564 -6.084 -5.784 1.00 41.21 H new ATOM 0 HG3 LYS A 205 -10.658 -7.279 -6.451 1.00 41.21 H new ATOM 0 HD2 LYS A 205 -10.717 -8.482 -4.291 1.00 52.33 H new ATOM 0 HD3 LYS A 205 -9.541 -7.373 -3.613 1.00 52.33 H new ATOM 0 HE2 LYS A 205 -11.186 -5.482 -4.074 1.00 40.40 H new ATOM 0 HE3 LYS A 205 -12.366 -6.698 -4.525 1.00 40.40 H new ATOM 0 HZ1 LYS A 205 -12.859 -6.452 -2.336 1.00 22.34 H new ATOM 0 HZ2 LYS A 205 -11.695 -7.679 -2.189 1.00 22.34 H new ATOM 0 HZ3 LYS A 205 -11.270 -6.064 -1.882 1.00 22.34 H new ATOM 969 N LYS A 206 -5.561 -7.590 -7.485 1.00 61.22 N ATOM 970 CA LYS A 206 -4.210 -8.155 -7.593 1.00 24.50 C ATOM 971 C LYS A 206 -3.466 -8.004 -6.251 1.00 34.11 C ATOM 972 O LYS A 206 -2.897 -6.947 -5.971 1.00 32.04 O ATOM 973 CB LYS A 206 -3.436 -7.442 -8.724 1.00 21.41 C ATOM 974 CG LYS A 206 -2.357 -8.281 -9.434 1.00 63.13 C ATOM 975 CD LYS A 206 -1.226 -8.744 -8.505 1.00 62.05 C ATOM 976 CE LYS A 206 -1.439 -10.166 -7.989 1.00 2.34 C ATOM 977 NZ LYS A 206 -1.430 -11.167 -9.090 1.00 21.13 N ATOM 0 H LYS A 206 -5.584 -6.578 -7.357 1.00 61.22 H new ATOM 0 HA LYS A 206 -4.281 -9.216 -7.831 1.00 24.50 H new ATOM 0 HB2 LYS A 206 -4.154 -7.102 -9.471 1.00 21.41 H new ATOM 0 HB3 LYS A 206 -2.962 -6.553 -8.309 1.00 21.41 H new ATOM 0 HG2 LYS A 206 -2.827 -9.156 -9.884 1.00 63.13 H new ATOM 0 HG3 LYS A 206 -1.930 -7.695 -10.248 1.00 63.13 H new ATOM 0 HD2 LYS A 206 -0.277 -8.693 -9.039 1.00 62.05 H new ATOM 0 HD3 LYS A 206 -1.152 -8.061 -7.659 1.00 62.05 H new ATOM 0 HE2 LYS A 206 -0.657 -10.411 -7.270 1.00 2.34 H new ATOM 0 HE3 LYS A 206 -2.389 -10.220 -7.458 1.00 2.34 H new ATOM 0 HZ1 LYS A 206 -1.138 -12.092 -8.716 1.00 21.13 H new ATOM 0 HZ2 LYS A 206 -2.384 -11.244 -9.497 1.00 21.13 H new ATOM 0 HZ3 LYS A 206 -0.762 -10.866 -9.828 1.00 21.13 H new ATOM 991 N PRO A 207 -3.493 -9.046 -5.388 1.00 4.10 N ATOM 992 CA PRO A 207 -2.753 -9.043 -4.109 1.00 0.34 C ATOM 993 C PRO A 207 -1.241 -8.843 -4.306 1.00 75.20 C ATOM 994 O PRO A 207 -0.581 -9.614 -5.004 1.00 11.41 O ATOM 995 CB PRO A 207 -3.054 -10.432 -3.514 1.00 14.44 C ATOM 996 CG PRO A 207 -4.322 -10.854 -4.176 1.00 3.01 C ATOM 997 CD PRO A 207 -4.255 -10.295 -5.571 1.00 63.13 C ATOM 0 HA PRO A 207 -3.058 -8.220 -3.463 1.00 0.34 H new ATOM 0 HB2 PRO A 207 -2.246 -11.135 -3.718 1.00 14.44 H new ATOM 0 HB3 PRO A 207 -3.168 -10.384 -2.431 1.00 14.44 H new ATOM 0 HG2 PRO A 207 -4.413 -11.940 -4.193 1.00 3.01 H new ATOM 0 HG3 PRO A 207 -5.190 -10.470 -3.641 1.00 3.01 H new ATOM 0 HD2 PRO A 207 -3.753 -10.978 -6.256 1.00 63.13 H new ATOM 0 HD3 PRO A 207 -5.248 -10.107 -5.979 1.00 63.13 H new ATOM 1005 N ILE A 208 -0.704 -7.798 -3.689 1.00 31.05 N ATOM 1006 CA ILE A 208 0.698 -7.415 -3.866 1.00 15.24 C ATOM 1007 C ILE A 208 1.560 -7.861 -2.676 1.00 35.03 C ATOM 1008 O ILE A 208 1.191 -7.658 -1.516 1.00 72.14 O ATOM 1009 CB ILE A 208 0.822 -5.877 -4.025 1.00 22.30 C ATOM 1010 CG1 ILE A 208 -0.102 -5.383 -5.154 1.00 23.25 C ATOM 1011 CG2 ILE A 208 2.272 -5.470 -4.297 1.00 43.42 C ATOM 1012 CD1 ILE A 208 -0.189 -3.877 -5.259 1.00 64.21 C ATOM 0 H ILE A 208 -1.223 -7.192 -3.053 1.00 31.05 H new ATOM 0 HA ILE A 208 1.057 -7.914 -4.766 1.00 15.24 H new ATOM 0 HB ILE A 208 0.513 -5.409 -3.091 1.00 22.30 H new ATOM 0 HG12 ILE A 208 0.254 -5.784 -6.103 1.00 23.25 H new ATOM 0 HG13 ILE A 208 -1.102 -5.785 -4.993 1.00 23.25 H new ATOM 0 HG21 ILE A 208 2.332 -4.387 -4.405 1.00 43.42 H new ATOM 0 HG22 ILE A 208 2.901 -5.787 -3.465 1.00 43.42 H new ATOM 0 HG23 ILE A 208 2.617 -5.945 -5.215 1.00 43.42 H new ATOM 0 HD11 ILE A 208 -0.858 -3.607 -6.076 1.00 64.21 H new ATOM 0 HD12 ILE A 208 -0.575 -3.469 -4.325 1.00 64.21 H new ATOM 0 HD13 ILE A 208 0.803 -3.468 -5.452 1.00 64.21 H new ATOM 1024 N GLY A 209 2.703 -8.476 -2.969 1.00 63.10 N ATOM 1025 CA GLY A 209 3.640 -8.847 -1.918 1.00 41.15 C ATOM 1026 C GLY A 209 4.258 -7.630 -1.235 1.00 71.01 C ATOM 1027 O GLY A 209 4.825 -6.763 -1.902 1.00 10.41 O ATOM 0 H GLY A 209 2.998 -8.724 -3.913 1.00 63.10 H new ATOM 0 HA2 GLY A 209 3.126 -9.456 -1.174 1.00 41.15 H new ATOM 0 HA3 GLY A 209 4.432 -9.464 -2.342 1.00 41.15 H new ATOM 1031 N TRP A 210 4.155 -7.570 0.093 1.00 71.34 N ATOM 1032 CA TRP A 210 4.652 -6.422 0.870 1.00 23.42 C ATOM 1033 C TRP A 210 6.115 -6.068 0.537 1.00 21.04 C ATOM 1034 O TRP A 210 6.502 -4.898 0.553 1.00 54.41 O ATOM 1035 CB TRP A 210 4.518 -6.701 2.375 1.00 4.14 C ATOM 1036 CG TRP A 210 3.122 -6.537 2.908 1.00 25.24 C ATOM 1037 CD1 TRP A 210 2.150 -7.493 3.001 1.00 32.14 C ATOM 1038 CD2 TRP A 210 2.550 -5.333 3.426 1.00 43.21 C ATOM 1039 NE1 TRP A 210 1.010 -6.951 3.549 1.00 22.41 N ATOM 1040 CE2 TRP A 210 1.232 -5.629 3.816 1.00 13.31 C ATOM 1041 CE3 TRP A 210 3.026 -4.034 3.598 1.00 61.12 C ATOM 1042 CZ2 TRP A 210 0.387 -4.673 4.371 1.00 4.10 C ATOM 1043 CZ3 TRP A 210 2.190 -3.083 4.150 1.00 73.40 C ATOM 1044 CH2 TRP A 210 0.880 -3.407 4.528 1.00 53.01 C ATOM 0 H TRP A 210 3.731 -8.304 0.660 1.00 71.34 H new ATOM 0 HA TRP A 210 4.038 -5.565 0.594 1.00 23.42 H new ATOM 0 HB2 TRP A 210 4.855 -7.718 2.576 1.00 4.14 H new ATOM 0 HB3 TRP A 210 5.184 -6.031 2.919 1.00 4.14 H new ATOM 0 HD1 TRP A 210 2.260 -8.522 2.690 1.00 32.14 H new ATOM 0 HE1 TRP A 210 0.141 -7.454 3.727 1.00 22.41 H new ATOM 0 HE3 TRP A 210 4.033 -3.775 3.304 1.00 61.12 H new ATOM 0 HZ2 TRP A 210 -0.621 -4.922 4.667 1.00 4.10 H new ATOM 0 HZ3 TRP A 210 2.551 -2.075 4.292 1.00 73.40 H new ATOM 0 HH2 TRP A 210 0.247 -2.641 4.952 1.00 53.01 H new ATOM 1055 N ASP A 211 6.917 -7.080 0.216 1.00 10.50 N ATOM 1056 CA ASP A 211 8.349 -6.885 -0.045 1.00 32.33 C ATOM 1057 C ASP A 211 8.632 -6.488 -1.510 1.00 23.53 C ATOM 1058 O ASP A 211 9.753 -6.647 -1.996 1.00 44.42 O ATOM 1059 CB ASP A 211 9.107 -8.165 0.322 1.00 31.11 C ATOM 1060 CG ASP A 211 8.847 -8.583 1.760 1.00 3.13 C ATOM 1061 OD1 ASP A 211 9.467 -7.999 2.672 1.00 32.43 O ATOM 1062 OD2 ASP A 211 8.013 -9.487 1.986 1.00 11.42 O ATOM 0 H ASP A 211 6.603 -8.047 0.129 1.00 10.50 H new ATOM 0 HA ASP A 211 8.695 -6.057 0.574 1.00 32.33 H new ATOM 0 HB2 ASP A 211 8.808 -8.970 -0.350 1.00 31.11 H new ATOM 0 HB3 ASP A 211 10.176 -8.009 0.177 1.00 31.11 H new ATOM 1067 N THR A 212 7.623 -5.955 -2.202 1.00 43.40 N ATOM 1068 CA THR A 212 7.788 -5.486 -3.592 1.00 65.44 C ATOM 1069 C THR A 212 8.034 -3.972 -3.639 1.00 23.35 C ATOM 1070 O THR A 212 7.464 -3.228 -2.843 1.00 73.33 O ATOM 1071 CB THR A 212 6.533 -5.809 -4.445 1.00 25.04 C ATOM 1072 OG1 THR A 212 6.237 -7.211 -4.380 1.00 20.44 O ATOM 1073 CG2 THR A 212 6.724 -5.398 -5.905 1.00 72.20 C ATOM 0 H THR A 212 6.681 -5.835 -1.829 1.00 43.40 H new ATOM 0 HA THR A 212 8.652 -6.009 -4.002 1.00 65.44 H new ATOM 0 HB THR A 212 5.701 -5.237 -4.034 1.00 25.04 H new ATOM 0 HG1 THR A 212 5.690 -7.393 -3.588 1.00 20.44 H new ATOM 0 HG21 THR A 212 5.825 -5.640 -6.472 1.00 72.20 H new ATOM 0 HG22 THR A 212 6.910 -4.325 -5.960 1.00 72.20 H new ATOM 0 HG23 THR A 212 7.574 -5.936 -6.326 1.00 72.20 H new ATOM 1081 N ASP A 213 8.887 -3.517 -4.562 1.00 2.34 N ATOM 1082 CA ASP A 213 9.171 -2.082 -4.723 1.00 63.43 C ATOM 1083 C ASP A 213 7.891 -1.274 -5.022 1.00 64.51 C ATOM 1084 O ASP A 213 7.141 -1.588 -5.949 1.00 72.52 O ATOM 1085 CB ASP A 213 10.189 -1.857 -5.850 1.00 40.22 C ATOM 1086 CG ASP A 213 11.501 -2.579 -5.611 1.00 33.52 C ATOM 1087 OD1 ASP A 213 11.536 -3.817 -5.767 1.00 24.01 O ATOM 1088 OD2 ASP A 213 12.506 -1.908 -5.295 1.00 61.35 O ATOM 0 H ASP A 213 9.394 -4.119 -5.210 1.00 2.34 H new ATOM 0 HA ASP A 213 9.586 -1.730 -3.778 1.00 63.43 H new ATOM 0 HB2 ASP A 213 9.760 -2.195 -6.793 1.00 40.22 H new ATOM 0 HB3 ASP A 213 10.381 -0.789 -5.952 1.00 40.22 H new ATOM 1093 N ILE A 214 7.667 -0.214 -4.248 1.00 71.11 N ATOM 1094 CA ILE A 214 6.488 0.646 -4.418 1.00 32.32 C ATOM 1095 C ILE A 214 6.491 1.356 -5.791 1.00 71.42 C ATOM 1096 O ILE A 214 5.446 1.771 -6.292 1.00 22.11 O ATOM 1097 CB ILE A 214 6.411 1.699 -3.279 1.00 14.54 C ATOM 1098 CG1 ILE A 214 5.120 2.533 -3.371 1.00 44.42 C ATOM 1099 CG2 ILE A 214 7.642 2.605 -3.296 1.00 71.42 C ATOM 1100 CD1 ILE A 214 3.849 1.725 -3.194 1.00 35.03 C ATOM 0 H ILE A 214 8.288 0.075 -3.492 1.00 71.11 H new ATOM 0 HA ILE A 214 5.609 0.003 -4.372 1.00 32.32 H new ATOM 0 HB ILE A 214 6.392 1.161 -2.331 1.00 14.54 H new ATOM 0 HG12 ILE A 214 5.150 3.315 -2.612 1.00 44.42 H new ATOM 0 HG13 ILE A 214 5.090 3.031 -4.340 1.00 44.42 H new ATOM 0 HG21 ILE A 214 7.568 3.335 -2.490 1.00 71.42 H new ATOM 0 HG22 ILE A 214 8.539 2.002 -3.158 1.00 71.42 H new ATOM 0 HG23 ILE A 214 7.698 3.125 -4.252 1.00 71.42 H new ATOM 0 HD11 ILE A 214 2.985 2.385 -3.272 1.00 35.03 H new ATOM 0 HD12 ILE A 214 3.793 0.960 -3.969 1.00 35.03 H new ATOM 0 HD13 ILE A 214 3.854 1.249 -2.214 1.00 35.03 H new ATOM 1112 N SER A 215 7.672 1.463 -6.403 1.00 72.55 N ATOM 1113 CA SER A 215 7.828 2.132 -7.707 1.00 61.45 C ATOM 1114 C SER A 215 7.002 1.451 -8.813 1.00 52.42 C ATOM 1115 O SER A 215 6.626 2.084 -9.799 1.00 52.22 O ATOM 1116 CB SER A 215 9.305 2.159 -8.120 1.00 2.52 C ATOM 1117 OG SER A 215 9.832 0.845 -8.213 1.00 71.22 O ATOM 0 H SER A 215 8.542 1.094 -6.018 1.00 72.55 H new ATOM 0 HA SER A 215 7.457 3.150 -7.588 1.00 61.45 H new ATOM 0 HB2 SER A 215 9.408 2.665 -9.080 1.00 2.52 H new ATOM 0 HB3 SER A 215 9.879 2.734 -7.393 1.00 2.52 H new ATOM 0 HG SER A 215 10.774 0.888 -8.479 1.00 71.22 H new ATOM 1123 N TRP A 216 6.729 0.157 -8.648 1.00 5.11 N ATOM 1124 CA TRP A 216 5.922 -0.600 -9.621 1.00 31.25 C ATOM 1125 C TRP A 216 4.460 -0.126 -9.648 1.00 73.21 C ATOM 1126 O TRP A 216 3.748 -0.334 -10.632 1.00 0.00 O ATOM 1127 CB TRP A 216 5.949 -2.100 -9.289 1.00 34.45 C ATOM 1128 CG TRP A 216 7.296 -2.742 -9.436 1.00 72.11 C ATOM 1129 CD1 TRP A 216 8.445 -2.394 -8.791 1.00 23.34 C ATOM 1130 CD2 TRP A 216 7.629 -3.861 -10.273 1.00 44.24 C ATOM 1131 NE1 TRP A 216 9.471 -3.219 -9.175 1.00 22.04 N ATOM 1132 CE2 TRP A 216 8.996 -4.131 -10.081 1.00 65.11 C ATOM 1133 CE3 TRP A 216 6.903 -4.660 -11.164 1.00 5.42 C ATOM 1134 CZ2 TRP A 216 9.652 -5.163 -10.748 1.00 64.24 C ATOM 1135 CZ3 TRP A 216 7.556 -5.687 -11.823 1.00 30.21 C ATOM 1136 CH2 TRP A 216 8.917 -5.930 -11.609 1.00 4.33 C ATOM 0 H TRP A 216 7.052 -0.394 -7.852 1.00 5.11 H new ATOM 0 HA TRP A 216 6.363 -0.424 -10.602 1.00 31.25 H new ATOM 0 HB2 TRP A 216 5.603 -2.239 -8.265 1.00 34.45 H new ATOM 0 HB3 TRP A 216 5.241 -2.616 -9.937 1.00 34.45 H new ATOM 0 HD1 TRP A 216 8.535 -1.586 -8.080 1.00 23.34 H new ATOM 0 HE1 TRP A 216 10.433 -3.163 -8.840 1.00 22.04 H new ATOM 0 HE3 TRP A 216 5.852 -4.478 -11.334 1.00 5.42 H new ATOM 0 HZ2 TRP A 216 10.704 -5.351 -10.591 1.00 64.24 H new ATOM 0 HZ3 TRP A 216 7.007 -6.310 -12.513 1.00 30.21 H new ATOM 0 HH2 TRP A 216 9.398 -6.741 -12.135 1.00 4.33 H new ATOM 1147 N LEU A 217 4.027 0.516 -8.568 1.00 45.33 N ATOM 1148 CA LEU A 217 2.616 0.878 -8.378 1.00 52.12 C ATOM 1149 C LEU A 217 2.368 2.376 -8.634 1.00 71.32 C ATOM 1150 O LEU A 217 1.374 2.945 -8.177 1.00 75.21 O ATOM 1151 CB LEU A 217 2.210 0.498 -6.946 1.00 25.22 C ATOM 1152 CG LEU A 217 2.608 -0.931 -6.527 1.00 64.33 C ATOM 1153 CD1 LEU A 217 2.241 -1.208 -5.074 1.00 24.11 C ATOM 1154 CD2 LEU A 217 1.967 -1.965 -7.447 1.00 12.12 C ATOM 0 H LEU A 217 4.636 0.801 -7.801 1.00 45.33 H new ATOM 0 HA LEU A 217 2.008 0.334 -9.101 1.00 52.12 H new ATOM 0 HB2 LEU A 217 2.664 1.206 -6.253 1.00 25.22 H new ATOM 0 HB3 LEU A 217 1.130 0.604 -6.848 1.00 25.22 H new ATOM 0 HG LEU A 217 3.691 -1.010 -6.619 1.00 64.33 H new ATOM 0 HD11 LEU A 217 2.536 -2.224 -4.812 1.00 24.11 H new ATOM 0 HD12 LEU A 217 2.760 -0.501 -4.427 1.00 24.11 H new ATOM 0 HD13 LEU A 217 1.165 -1.097 -4.943 1.00 24.11 H new ATOM 0 HD21 LEU A 217 2.263 -2.966 -7.132 1.00 12.12 H new ATOM 0 HD22 LEU A 217 0.882 -1.874 -7.396 1.00 12.12 H new ATOM 0 HD23 LEU A 217 2.298 -1.795 -8.472 1.00 12.12 H new ATOM 1166 N THR A 218 3.266 2.999 -9.392 1.00 22.14 N ATOM 1167 CA THR A 218 3.183 4.434 -9.708 1.00 1.43 C ATOM 1168 C THR A 218 1.827 4.836 -10.314 1.00 61.33 C ATOM 1169 O THR A 218 1.384 4.270 -11.317 1.00 73.11 O ATOM 1170 CB THR A 218 4.305 4.845 -10.692 1.00 44.41 C ATOM 1171 OG1 THR A 218 5.593 4.645 -10.089 1.00 65.20 O ATOM 1172 CG2 THR A 218 4.163 6.304 -11.127 1.00 44.03 C ATOM 0 H THR A 218 4.072 2.531 -9.807 1.00 22.14 H new ATOM 0 HA THR A 218 3.300 4.956 -8.758 1.00 1.43 H new ATOM 0 HB THR A 218 4.214 4.215 -11.577 1.00 44.41 H new ATOM 0 HG1 THR A 218 5.791 3.686 -10.051 1.00 65.20 H new ATOM 0 HG21 THR A 218 4.967 6.558 -11.817 1.00 44.03 H new ATOM 0 HG22 THR A 218 3.202 6.444 -11.622 1.00 44.03 H new ATOM 0 HG23 THR A 218 4.218 6.952 -10.252 1.00 44.03 H new ATOM 1180 N GLY A 219 1.171 5.814 -9.689 1.00 70.13 N ATOM 1181 CA GLY A 219 -0.070 6.365 -10.229 1.00 42.43 C ATOM 1182 C GLY A 219 -1.317 5.535 -9.920 1.00 33.11 C ATOM 1183 O GLY A 219 -2.433 5.952 -10.231 1.00 41.14 O ATOM 0 H GLY A 219 1.477 6.238 -8.813 1.00 70.13 H new ATOM 0 HA2 GLY A 219 -0.210 7.370 -9.832 1.00 42.43 H new ATOM 0 HA3 GLY A 219 0.029 6.460 -11.310 1.00 42.43 H new ATOM 1187 N GLU A 220 -1.137 4.365 -9.314 1.00 23.35 N ATOM 1188 CA GLU A 220 -2.261 3.470 -9.012 1.00 33.44 C ATOM 1189 C GLU A 220 -2.817 3.711 -7.600 1.00 10.02 C ATOM 1190 O GLU A 220 -2.138 4.265 -6.731 1.00 45.33 O ATOM 1191 CB GLU A 220 -1.824 2.003 -9.163 1.00 15.33 C ATOM 1192 CG GLU A 220 -1.406 1.625 -10.583 1.00 15.21 C ATOM 1193 CD GLU A 220 -2.553 1.717 -11.582 1.00 54.12 C ATOM 1194 OE1 GLU A 220 -2.771 2.807 -12.156 1.00 42.23 O ATOM 1195 OE2 GLU A 220 -3.240 0.695 -11.806 1.00 30.14 O ATOM 0 H GLU A 220 -0.227 4.011 -9.021 1.00 23.35 H new ATOM 0 HA GLU A 220 -3.057 3.687 -9.724 1.00 33.44 H new ATOM 0 HB2 GLU A 220 -0.991 1.811 -8.486 1.00 15.33 H new ATOM 0 HB3 GLU A 220 -2.644 1.356 -8.852 1.00 15.33 H new ATOM 0 HG2 GLU A 220 -0.597 2.280 -10.905 1.00 15.21 H new ATOM 0 HG3 GLU A 220 -1.012 0.609 -10.582 1.00 15.21 H new ATOM 1202 N GLU A 221 -4.067 3.307 -7.385 1.00 43.51 N ATOM 1203 CA GLU A 221 -4.691 3.387 -6.062 1.00 70.44 C ATOM 1204 C GLU A 221 -4.677 2.018 -5.369 1.00 24.15 C ATOM 1205 O GLU A 221 -5.277 1.055 -5.853 1.00 31.44 O ATOM 1206 CB GLU A 221 -6.133 3.906 -6.173 1.00 14.34 C ATOM 1207 CG GLU A 221 -6.235 5.324 -6.729 1.00 24.44 C ATOM 1208 CD GLU A 221 -7.669 5.826 -6.816 1.00 42.14 C ATOM 1209 OE1 GLU A 221 -8.415 5.357 -7.701 1.00 30.12 O ATOM 1210 OE2 GLU A 221 -8.057 6.700 -6.008 1.00 70.45 O ATOM 0 H GLU A 221 -4.671 2.920 -8.110 1.00 43.51 H new ATOM 0 HA GLU A 221 -4.112 4.087 -5.460 1.00 70.44 H new ATOM 0 HB2 GLU A 221 -6.704 3.233 -6.813 1.00 14.34 H new ATOM 0 HB3 GLU A 221 -6.597 3.878 -5.187 1.00 14.34 H new ATOM 0 HG2 GLU A 221 -5.657 5.999 -6.097 1.00 24.44 H new ATOM 0 HG3 GLU A 221 -5.785 5.353 -7.721 1.00 24.44 H new ATOM 1217 N LEU A 222 -3.992 1.937 -4.233 1.00 63.30 N ATOM 1218 CA LEU A 222 -3.872 0.680 -3.488 1.00 2.41 C ATOM 1219 C LEU A 222 -4.964 0.567 -2.424 1.00 55.22 C ATOM 1220 O LEU A 222 -5.410 1.565 -1.866 1.00 34.22 O ATOM 1221 CB LEU A 222 -2.495 0.588 -2.818 1.00 35.23 C ATOM 1222 CG LEU A 222 -1.291 0.673 -3.770 1.00 0.50 C ATOM 1223 CD1 LEU A 222 0.020 0.565 -2.993 1.00 34.40 C ATOM 1224 CD2 LEU A 222 -1.376 -0.398 -4.857 1.00 22.35 C ATOM 0 H LEU A 222 -3.509 2.726 -3.804 1.00 63.30 H new ATOM 0 HA LEU A 222 -3.987 -0.140 -4.196 1.00 2.41 H new ATOM 0 HB2 LEU A 222 -2.413 1.389 -2.084 1.00 35.23 H new ATOM 0 HB3 LEU A 222 -2.438 -0.353 -2.271 1.00 35.23 H new ATOM 0 HG LEU A 222 -1.314 1.646 -4.260 1.00 0.50 H new ATOM 0 HD11 LEU A 222 0.860 0.627 -3.685 1.00 34.40 H new ATOM 0 HD12 LEU A 222 0.083 1.379 -2.271 1.00 34.40 H new ATOM 0 HD13 LEU A 222 0.054 -0.389 -2.467 1.00 34.40 H new ATOM 0 HD21 LEU A 222 -0.512 -0.316 -5.517 1.00 22.35 H new ATOM 0 HD22 LEU A 222 -1.387 -1.385 -4.395 1.00 22.35 H new ATOM 0 HD23 LEU A 222 -2.289 -0.258 -5.435 1.00 22.35 H new ATOM 1236 N HIS A 223 -5.398 -0.654 -2.146 1.00 22.22 N ATOM 1237 CA HIS A 223 -6.420 -0.894 -1.127 1.00 43.13 C ATOM 1238 C HIS A 223 -5.886 -1.832 -0.041 1.00 21.45 C ATOM 1239 O HIS A 223 -5.597 -3.000 -0.301 1.00 0.43 O ATOM 1240 CB HIS A 223 -7.684 -1.476 -1.769 1.00 52.22 C ATOM 1241 CG HIS A 223 -8.271 -0.585 -2.823 1.00 54.41 C ATOM 1242 ND1 HIS A 223 -9.294 0.309 -2.577 1.00 53.45 N ATOM 1243 CD2 HIS A 223 -7.964 -0.443 -4.136 1.00 53.24 C ATOM 1244 CE1 HIS A 223 -9.589 0.957 -3.686 1.00 13.42 C ATOM 1245 NE2 HIS A 223 -8.798 0.522 -4.643 1.00 52.14 N ATOM 0 H HIS A 223 -5.060 -1.497 -2.610 1.00 22.22 H new ATOM 0 HA HIS A 223 -6.676 0.057 -0.661 1.00 43.13 H new ATOM 0 HB2 HIS A 223 -7.448 -2.444 -2.210 1.00 52.22 H new ATOM 0 HB3 HIS A 223 -8.430 -1.653 -0.994 1.00 52.22 H new ATOM 0 HD2 HIS A 223 -7.206 -0.987 -4.680 1.00 53.24 H new ATOM 0 HE1 HIS A 223 -10.350 1.716 -3.791 1.00 13.42 H new ATOM 0 HE2 HIS A 223 -8.804 0.850 -5.609 1.00 52.14 H new ATOM 1254 N VAL A 224 -5.732 -1.301 1.167 1.00 71.34 N ATOM 1255 CA VAL A 224 -5.218 -2.069 2.299 1.00 14.02 C ATOM 1256 C VAL A 224 -6.325 -2.365 3.317 1.00 25.43 C ATOM 1257 O VAL A 224 -7.073 -1.472 3.723 1.00 62.21 O ATOM 1258 CB VAL A 224 -4.063 -1.320 3.009 1.00 22.34 C ATOM 1259 CG1 VAL A 224 -3.463 -2.171 4.129 1.00 33.14 C ATOM 1260 CG2 VAL A 224 -2.995 -0.906 2.000 1.00 2.25 C ATOM 0 H VAL A 224 -5.958 -0.332 1.390 1.00 71.34 H new ATOM 0 HA VAL A 224 -4.840 -3.009 1.898 1.00 14.02 H new ATOM 0 HB VAL A 224 -4.470 -0.417 3.464 1.00 22.34 H new ATOM 0 HG11 VAL A 224 -2.654 -1.621 4.610 1.00 33.14 H new ATOM 0 HG12 VAL A 224 -4.234 -2.400 4.864 1.00 33.14 H new ATOM 0 HG13 VAL A 224 -3.072 -3.099 3.711 1.00 33.14 H new ATOM 0 HG21 VAL A 224 -2.191 -0.381 2.516 1.00 2.25 H new ATOM 0 HG22 VAL A 224 -2.593 -1.793 1.511 1.00 2.25 H new ATOM 0 HG23 VAL A 224 -3.437 -0.248 1.252 1.00 2.25 H new ATOM 1270 N GLU A 225 -6.433 -3.624 3.721 1.00 41.21 N ATOM 1271 CA GLU A 225 -7.421 -4.031 4.723 1.00 55.50 C ATOM 1272 C GLU A 225 -6.836 -5.057 5.703 1.00 24.21 C ATOM 1273 O GLU A 225 -5.852 -5.739 5.401 1.00 34.20 O ATOM 1274 CB GLU A 225 -8.673 -4.594 4.036 1.00 41.24 C ATOM 1275 CG GLU A 225 -8.398 -5.753 3.085 1.00 44.14 C ATOM 1276 CD GLU A 225 -9.669 -6.299 2.451 1.00 61.24 C ATOM 1277 OE1 GLU A 225 -10.131 -5.731 1.437 1.00 25.33 O ATOM 1278 OE2 GLU A 225 -10.227 -7.286 2.975 1.00 45.40 O ATOM 0 H GLU A 225 -5.850 -4.385 3.372 1.00 41.21 H new ATOM 0 HA GLU A 225 -7.701 -3.148 5.298 1.00 55.50 H new ATOM 0 HB2 GLU A 225 -9.375 -4.926 4.801 1.00 41.24 H new ATOM 0 HB3 GLU A 225 -9.161 -3.792 3.482 1.00 41.24 H new ATOM 0 HG2 GLU A 225 -7.718 -5.422 2.301 1.00 44.14 H new ATOM 0 HG3 GLU A 225 -7.894 -6.553 3.628 1.00 44.14 H new ATOM 1285 N VAL A 226 -7.443 -5.150 6.882 1.00 45.40 N ATOM 1286 CA VAL A 226 -6.986 -6.071 7.926 1.00 20.21 C ATOM 1287 C VAL A 226 -7.344 -7.525 7.588 1.00 24.20 C ATOM 1288 O VAL A 226 -8.487 -7.833 7.246 1.00 35.24 O ATOM 1289 CB VAL A 226 -7.596 -5.704 9.304 1.00 41.54 C ATOM 1290 CG1 VAL A 226 -7.096 -6.651 10.397 1.00 55.00 C ATOM 1291 CG2 VAL A 226 -7.289 -4.249 9.662 1.00 53.22 C ATOM 0 H VAL A 226 -8.259 -4.596 7.143 1.00 45.40 H new ATOM 0 HA VAL A 226 -5.901 -5.976 7.977 1.00 20.21 H new ATOM 0 HB VAL A 226 -8.678 -5.817 9.234 1.00 41.54 H new ATOM 0 HG11 VAL A 226 -7.540 -6.370 11.352 1.00 55.00 H new ATOM 0 HG12 VAL A 226 -7.381 -7.674 10.151 1.00 55.00 H new ATOM 0 HG13 VAL A 226 -6.010 -6.584 10.468 1.00 55.00 H new ATOM 0 HG21 VAL A 226 -7.726 -4.013 10.632 1.00 53.22 H new ATOM 0 HG22 VAL A 226 -6.209 -4.105 9.706 1.00 53.22 H new ATOM 0 HG23 VAL A 226 -7.712 -3.591 8.903 1.00 53.22 H new ATOM 1301 N LEU A 227 -6.358 -8.412 7.677 1.00 24.42 N ATOM 1302 CA LEU A 227 -6.582 -9.845 7.465 1.00 64.30 C ATOM 1303 C LEU A 227 -7.166 -10.489 8.730 1.00 2.32 C ATOM 1304 O LEU A 227 -8.237 -11.100 8.699 1.00 15.22 O ATOM 1305 CB LEU A 227 -5.265 -10.535 7.084 1.00 54.11 C ATOM 1306 CG LEU A 227 -4.645 -10.071 5.754 1.00 14.50 C ATOM 1307 CD1 LEU A 227 -3.284 -10.725 5.535 1.00 30.15 C ATOM 1308 CD2 LEU A 227 -5.586 -10.373 4.585 1.00 41.43 C ATOM 0 H LEU A 227 -5.392 -8.167 7.895 1.00 24.42 H new ATOM 0 HA LEU A 227 -7.295 -9.968 6.650 1.00 64.30 H new ATOM 0 HB2 LEU A 227 -4.541 -10.368 7.882 1.00 54.11 H new ATOM 0 HB3 LEU A 227 -5.438 -11.610 7.031 1.00 54.11 H new ATOM 0 HG LEU A 227 -4.499 -8.992 5.804 1.00 14.50 H new ATOM 0 HD11 LEU A 227 -2.864 -10.383 4.589 1.00 30.15 H new ATOM 0 HD12 LEU A 227 -2.614 -10.452 6.350 1.00 30.15 H new ATOM 0 HD13 LEU A 227 -3.401 -11.808 5.509 1.00 30.15 H new ATOM 0 HD21 LEU A 227 -5.129 -10.037 3.654 1.00 41.43 H new ATOM 0 HD22 LEU A 227 -5.769 -11.446 4.533 1.00 41.43 H new ATOM 0 HD23 LEU A 227 -6.531 -9.851 4.734 1.00 41.43 H new