USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=13 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 Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc=-0.00496 K(o=-0.005,f=-0.98) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.45) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.404 USER MOD Single : A 180 SER OG : rot 84:sc= 0.498 USER MOD Single : A 182 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.842) 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 -159:sc= -0.198 (180deg=-0.823) USER MOD Single : A 194 CYS SG : rot -39:sc= 0.059 USER MOD Single : A 195 CYS SG : rot 81:sc= -1.03 USER MOD Single : A 198 TYR OH : rot 178:sc= 0.733 USER MOD Single : A 201 GLN : amide:sc= 0.225 K(o=0.23,f=-6.8!) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ -170:sc= 0.246 (180deg=0.148) USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 6.440 14.872 -7.386 1.00 73.33 N ATOM 115 CA LYS A 154 7.057 13.541 -7.424 1.00 42.11 C ATOM 116 C LYS A 154 6.011 12.489 -7.834 1.00 21.41 C ATOM 117 O LYS A 154 4.817 12.680 -7.598 1.00 20.55 O ATOM 118 CB LYS A 154 7.618 13.180 -6.034 1.00 2.02 C ATOM 119 CG LYS A 154 8.374 14.314 -5.342 1.00 22.32 C ATOM 120 CD LYS A 154 9.611 14.758 -6.121 1.00 65.24 C ATOM 121 CE LYS A 154 10.340 15.898 -5.412 1.00 12.21 C ATOM 122 NZ LYS A 154 11.556 16.327 -6.152 1.00 60.24 N ATOM 0 HA LYS A 154 7.868 13.553 -8.152 1.00 42.11 H new ATOM 0 HB2 LYS A 154 6.794 12.866 -5.394 1.00 2.02 H new ATOM 0 HB3 LYS A 154 8.286 12.325 -6.137 1.00 2.02 H new ATOM 0 HG2 LYS A 154 7.706 15.165 -5.213 1.00 22.32 H new ATOM 0 HG3 LYS A 154 8.674 13.990 -4.345 1.00 22.32 H new ATOM 0 HD2 LYS A 154 10.288 13.912 -6.244 1.00 65.24 H new ATOM 0 HD3 LYS A 154 9.317 15.079 -7.120 1.00 65.24 H new ATOM 0 HE2 LYS A 154 9.665 16.747 -5.301 1.00 12.21 H new ATOM 0 HE3 LYS A 154 10.620 15.580 -4.408 1.00 12.21 H new ATOM 0 HZ1 LYS A 154 12.021 17.102 -5.637 1.00 60.24 H new ATOM 0 HZ2 LYS A 154 12.212 15.525 -6.236 1.00 60.24 H new ATOM 0 HZ3 LYS A 154 11.287 16.655 -7.102 1.00 60.24 H new ATOM 136 N PRO A 155 6.426 11.370 -8.458 1.00 25.53 N ATOM 137 CA PRO A 155 5.507 10.251 -8.736 1.00 31.31 C ATOM 138 C PRO A 155 5.025 9.592 -7.431 1.00 65.23 C ATOM 139 O PRO A 155 5.832 9.270 -6.560 1.00 14.34 O ATOM 140 CB PRO A 155 6.361 9.280 -9.568 1.00 74.24 C ATOM 141 CG PRO A 155 7.773 9.617 -9.220 1.00 71.02 C ATOM 142 CD PRO A 155 7.791 11.101 -8.949 1.00 62.34 C ATOM 0 HA PRO A 155 4.601 10.566 -9.254 1.00 31.31 H new ATOM 0 HB2 PRO A 155 6.131 8.243 -9.324 1.00 74.24 H new ATOM 0 HB3 PRO A 155 6.176 9.406 -10.635 1.00 74.24 H new ATOM 0 HG2 PRO A 155 8.104 9.057 -8.346 1.00 71.02 H new ATOM 0 HG3 PRO A 155 8.448 9.361 -10.037 1.00 71.02 H new ATOM 0 HD2 PRO A 155 8.545 11.366 -8.208 1.00 62.34 H new ATOM 0 HD3 PRO A 155 8.015 11.672 -9.850 1.00 62.34 H new ATOM 150 N ILE A 156 3.715 9.392 -7.289 1.00 2.35 N ATOM 151 CA ILE A 156 3.148 8.942 -6.008 1.00 60.21 C ATOM 152 C ILE A 156 2.186 7.750 -6.150 1.00 3.12 C ATOM 153 O ILE A 156 1.751 7.399 -7.250 1.00 14.23 O ATOM 154 CB ILE A 156 2.431 10.115 -5.276 1.00 40.24 C ATOM 155 CG1 ILE A 156 1.377 10.800 -6.179 1.00 23.54 C ATOM 156 CG2 ILE A 156 3.449 11.140 -4.776 1.00 4.24 C ATOM 157 CD1 ILE A 156 0.017 10.123 -6.183 1.00 30.21 C ATOM 0 H ILE A 156 3.030 9.531 -8.032 1.00 2.35 H new ATOM 0 HA ILE A 156 3.994 8.599 -5.413 1.00 60.21 H new ATOM 0 HB ILE A 156 1.906 9.691 -4.420 1.00 40.24 H new ATOM 0 HG12 ILE A 156 1.254 11.833 -5.853 1.00 23.54 H new ATOM 0 HG13 ILE A 156 1.757 10.831 -7.200 1.00 23.54 H new ATOM 0 HG21 ILE A 156 2.928 11.952 -4.268 1.00 4.24 H new ATOM 0 HG22 ILE A 156 4.138 10.659 -4.082 1.00 4.24 H new ATOM 0 HG23 ILE A 156 4.007 11.541 -5.622 1.00 4.24 H new ATOM 0 HD11 ILE A 156 -0.659 10.669 -6.841 1.00 30.21 H new ATOM 0 HD12 ILE A 156 0.122 9.098 -6.539 1.00 30.21 H new ATOM 0 HD13 ILE A 156 -0.389 10.116 -5.171 1.00 30.21 H new ATOM 169 N VAL A 157 1.869 7.133 -5.011 1.00 14.32 N ATOM 170 CA VAL A 157 0.909 6.027 -4.943 1.00 13.55 C ATOM 171 C VAL A 157 -0.209 6.347 -3.935 1.00 74.32 C ATOM 172 O VAL A 157 0.053 6.862 -2.844 1.00 15.42 O ATOM 173 CB VAL A 157 1.604 4.701 -4.537 1.00 41.05 C ATOM 174 CG1 VAL A 157 0.602 3.545 -4.484 1.00 41.25 C ATOM 175 CG2 VAL A 157 2.753 4.381 -5.490 1.00 5.53 C ATOM 0 H VAL A 157 2.270 7.385 -4.108 1.00 14.32 H new ATOM 0 HA VAL A 157 0.479 5.904 -5.937 1.00 13.55 H new ATOM 0 HB VAL A 157 2.016 4.830 -3.536 1.00 41.05 H new ATOM 0 HG11 VAL A 157 1.118 2.629 -4.197 1.00 41.25 H new ATOM 0 HG12 VAL A 157 -0.174 3.769 -3.752 1.00 41.25 H new ATOM 0 HG13 VAL A 157 0.147 3.413 -5.466 1.00 41.25 H new ATOM 0 HG21 VAL A 157 3.227 3.447 -5.188 1.00 5.53 H new ATOM 0 HG22 VAL A 157 2.367 4.280 -6.504 1.00 5.53 H new ATOM 0 HG23 VAL A 157 3.486 5.187 -5.459 1.00 5.53 H new ATOM 185 N ARG A 158 -1.449 6.035 -4.303 1.00 10.32 N ATOM 186 CA ARG A 158 -2.617 6.351 -3.469 1.00 52.41 C ATOM 187 C ARG A 158 -3.097 5.118 -2.687 1.00 72.13 C ATOM 188 O ARG A 158 -3.707 4.213 -3.251 1.00 13.52 O ATOM 189 CB ARG A 158 -3.745 6.891 -4.359 1.00 1.12 C ATOM 190 CG ARG A 158 -3.429 8.247 -4.992 1.00 42.42 C ATOM 191 CD ARG A 158 -4.365 8.573 -6.153 1.00 4.12 C ATOM 192 NE ARG A 158 -5.770 8.331 -5.824 1.00 35.34 N ATOM 193 CZ ARG A 158 -6.695 9.248 -5.799 1.00 63.33 C ATOM 194 NH1 ARG A 158 -6.404 10.488 -6.026 1.00 53.50 N ATOM 195 NH2 ARG A 158 -7.916 8.910 -5.553 1.00 34.51 N ATOM 0 H ARG A 158 -1.677 5.561 -5.177 1.00 10.32 H new ATOM 0 HA ARG A 158 -2.329 7.110 -2.741 1.00 52.41 H new ATOM 0 HB2 ARG A 158 -3.950 6.169 -5.150 1.00 1.12 H new ATOM 0 HB3 ARG A 158 -4.655 6.980 -3.765 1.00 1.12 H new ATOM 0 HG2 ARG A 158 -3.507 9.027 -4.234 1.00 42.42 H new ATOM 0 HG3 ARG A 158 -2.398 8.249 -5.347 1.00 42.42 H new ATOM 0 HD2 ARG A 158 -4.236 9.617 -6.437 1.00 4.12 H new ATOM 0 HD3 ARG A 158 -4.089 7.971 -7.019 1.00 4.12 H new ATOM 0 HE ARG A 158 -6.045 7.375 -5.598 1.00 35.34 H new ATOM 0 HH11 ARG A 158 -5.441 10.757 -6.228 1.00 53.50 H new ATOM 0 HH12 ARG A 158 -7.138 11.196 -6.003 1.00 53.50 H new ATOM 0 HH21 ARG A 158 -8.150 7.932 -5.380 1.00 34.51 H new ATOM 0 HH22 ARG A 158 -8.647 9.621 -5.531 1.00 34.51 H new ATOM 209 N VAL A 159 -2.824 5.087 -1.384 1.00 1.14 N ATOM 210 CA VAL A 159 -3.169 3.930 -0.547 1.00 1.53 C ATOM 211 C VAL A 159 -4.355 4.229 0.385 1.00 64.33 C ATOM 212 O VAL A 159 -4.313 5.166 1.185 1.00 14.25 O ATOM 213 CB VAL A 159 -1.957 3.480 0.306 1.00 43.12 C ATOM 214 CG1 VAL A 159 -2.302 2.243 1.139 1.00 34.32 C ATOM 215 CG2 VAL A 159 -0.741 3.220 -0.584 1.00 64.00 C ATOM 0 H VAL A 159 -2.365 5.847 -0.881 1.00 1.14 H new ATOM 0 HA VAL A 159 -3.454 3.128 -1.228 1.00 1.53 H new ATOM 0 HB VAL A 159 -1.708 4.286 0.996 1.00 43.12 H new ATOM 0 HG11 VAL A 159 -1.434 1.948 1.729 1.00 34.32 H new ATOM 0 HG12 VAL A 159 -3.132 2.474 1.806 1.00 34.32 H new ATOM 0 HG13 VAL A 159 -2.585 1.425 0.476 1.00 34.32 H new ATOM 0 HG21 VAL A 159 0.101 2.905 0.033 1.00 64.00 H new ATOM 0 HG22 VAL A 159 -0.978 2.436 -1.303 1.00 64.00 H new ATOM 0 HG23 VAL A 159 -0.478 4.134 -1.117 1.00 64.00 H new ATOM 225 N PHE A 160 -5.408 3.423 0.278 1.00 51.22 N ATOM 226 CA PHE A 160 -6.592 3.568 1.132 1.00 53.21 C ATOM 227 C PHE A 160 -6.496 2.662 2.372 1.00 32.13 C ATOM 228 O PHE A 160 -6.419 1.433 2.261 1.00 54.41 O ATOM 229 CB PHE A 160 -7.864 3.252 0.332 1.00 55.32 C ATOM 230 CG PHE A 160 -8.096 4.201 -0.821 1.00 20.52 C ATOM 231 CD1 PHE A 160 -7.558 3.939 -2.074 1.00 0.43 C ATOM 232 CD2 PHE A 160 -8.842 5.360 -0.648 1.00 12.24 C ATOM 233 CE1 PHE A 160 -7.762 4.807 -3.128 1.00 52.35 C ATOM 234 CE2 PHE A 160 -9.047 6.232 -1.701 1.00 22.00 C ATOM 235 CZ PHE A 160 -8.505 5.955 -2.943 1.00 30.13 C ATOM 0 H PHE A 160 -5.469 2.658 -0.394 1.00 51.22 H new ATOM 0 HA PHE A 160 -6.640 4.601 1.476 1.00 53.21 H new ATOM 0 HB2 PHE A 160 -7.800 2.234 -0.052 1.00 55.32 H new ATOM 0 HB3 PHE A 160 -8.724 3.287 1.001 1.00 55.32 H new ATOM 0 HD1 PHE A 160 -6.972 3.044 -2.226 1.00 0.43 H new ATOM 0 HD2 PHE A 160 -9.267 5.582 0.320 1.00 12.24 H new ATOM 0 HE1 PHE A 160 -7.340 4.587 -4.098 1.00 52.35 H new ATOM 0 HE2 PHE A 160 -9.630 7.129 -1.554 1.00 22.00 H new ATOM 0 HZ PHE A 160 -8.663 6.636 -3.766 1.00 30.13 H new ATOM 245 N LEU A 161 -6.508 3.286 3.548 1.00 2.01 N ATOM 246 CA LEU A 161 -6.354 2.573 4.822 1.00 31.01 C ATOM 247 C LEU A 161 -7.716 2.192 5.436 1.00 35.53 C ATOM 248 O LEU A 161 -8.735 2.832 5.164 1.00 51.32 O ATOM 249 CB LEU A 161 -5.567 3.445 5.814 1.00 42.21 C ATOM 250 CG LEU A 161 -4.144 3.830 5.377 1.00 44.42 C ATOM 251 CD1 LEU A 161 -3.490 4.732 6.420 1.00 30.04 C ATOM 252 CD2 LEU A 161 -3.297 2.581 5.133 1.00 72.12 C ATOM 0 H LEU A 161 -6.624 4.294 3.649 1.00 2.01 H new ATOM 0 HA LEU A 161 -5.809 1.651 4.621 1.00 31.01 H new ATOM 0 HB2 LEU A 161 -6.132 4.359 5.994 1.00 42.21 H new ATOM 0 HB3 LEU A 161 -5.505 2.916 6.765 1.00 42.21 H new ATOM 0 HG LEU A 161 -4.210 4.383 4.440 1.00 44.42 H new ATOM 0 HD11 LEU A 161 -2.484 4.995 6.094 1.00 30.04 H new ATOM 0 HD12 LEU A 161 -4.082 5.640 6.538 1.00 30.04 H new ATOM 0 HD13 LEU A 161 -3.437 4.207 7.374 1.00 30.04 H new ATOM 0 HD21 LEU A 161 -2.294 2.876 4.825 1.00 72.12 H new ATOM 0 HD22 LEU A 161 -3.237 1.997 6.051 1.00 72.12 H new ATOM 0 HD23 LEU A 161 -3.755 1.978 4.349 1.00 72.12 H new ATOM 264 N PRO A 162 -7.750 1.145 6.290 1.00 33.24 N ATOM 265 CA PRO A 162 -8.990 0.702 6.956 1.00 52.43 C ATOM 266 C PRO A 162 -9.623 1.793 7.844 1.00 24.40 C ATOM 267 O PRO A 162 -8.949 2.743 8.265 1.00 33.13 O ATOM 268 CB PRO A 162 -8.539 -0.499 7.807 1.00 53.22 C ATOM 269 CG PRO A 162 -7.061 -0.344 7.941 1.00 3.30 C ATOM 270 CD PRO A 162 -6.599 0.304 6.666 1.00 64.42 C ATOM 0 HA PRO A 162 -9.765 0.458 6.230 1.00 52.43 H new ATOM 0 HB2 PRO A 162 -9.026 -0.497 8.782 1.00 53.22 H new ATOM 0 HB3 PRO A 162 -8.795 -1.443 7.325 1.00 53.22 H new ATOM 0 HG2 PRO A 162 -6.809 0.271 8.805 1.00 3.30 H new ATOM 0 HG3 PRO A 162 -6.578 -1.310 8.086 1.00 3.30 H new ATOM 0 HD2 PRO A 162 -5.697 0.897 6.818 1.00 64.42 H new ATOM 0 HD3 PRO A 162 -6.369 -0.434 5.897 1.00 64.42 H new ATOM 278 N ASN A 163 -10.918 1.637 8.129 1.00 12.33 N ATOM 279 CA ASN A 163 -11.686 2.619 8.914 1.00 21.04 C ATOM 280 C ASN A 163 -11.803 3.974 8.188 1.00 13.15 C ATOM 281 O ASN A 163 -11.741 5.039 8.807 1.00 13.21 O ATOM 282 CB ASN A 163 -11.083 2.787 10.319 1.00 13.31 C ATOM 283 CG ASN A 163 -11.152 1.499 11.121 1.00 23.23 C ATOM 284 OD1 ASN A 163 -12.033 0.673 10.911 1.00 32.14 O ATOM 285 ND2 ASN A 163 -10.237 1.317 12.052 1.00 43.20 N ATOM 0 H ASN A 163 -11.466 0.832 7.826 1.00 12.33 H new ATOM 0 HA ASN A 163 -12.698 2.230 9.023 1.00 21.04 H new ATOM 0 HB2 ASN A 163 -10.044 3.106 10.233 1.00 13.31 H new ATOM 0 HB3 ASN A 163 -11.616 3.575 10.851 1.00 13.31 H new ATOM 0 HD21 ASN A 163 -10.250 0.471 12.621 1.00 43.20 H new ATOM 0 HD22 ASN A 163 -9.516 2.023 12.203 1.00 43.20 H new ATOM 292 N LYS A 164 -11.994 3.906 6.865 1.00 62.35 N ATOM 293 CA LYS A 164 -12.279 5.086 6.024 1.00 22.43 C ATOM 294 C LYS A 164 -11.101 6.076 5.949 1.00 11.42 C ATOM 295 O LYS A 164 -11.300 7.267 5.704 1.00 23.40 O ATOM 296 CB LYS A 164 -13.535 5.820 6.529 1.00 42.05 C ATOM 297 CG LYS A 164 -14.776 4.935 6.635 1.00 42.50 C ATOM 298 CD LYS A 164 -16.018 5.737 7.023 1.00 34.44 C ATOM 299 CE LYS A 164 -15.821 6.519 8.320 1.00 50.30 C ATOM 300 NZ LYS A 164 -17.047 7.263 8.711 1.00 13.13 N ATOM 0 H LYS A 164 -11.956 3.031 6.342 1.00 62.35 H new ATOM 0 HA LYS A 164 -12.448 4.706 5.016 1.00 22.43 H new ATOM 0 HB2 LYS A 164 -13.323 6.248 7.509 1.00 42.05 H new ATOM 0 HB3 LYS A 164 -13.751 6.651 5.858 1.00 42.05 H new ATOM 0 HG2 LYS A 164 -14.949 4.437 5.681 1.00 42.50 H new ATOM 0 HG3 LYS A 164 -14.603 4.154 7.375 1.00 42.50 H new ATOM 0 HD2 LYS A 164 -16.267 6.429 6.218 1.00 34.44 H new ATOM 0 HD3 LYS A 164 -16.865 5.060 7.135 1.00 34.44 H new ATOM 0 HE2 LYS A 164 -15.543 5.832 9.119 1.00 50.30 H new ATOM 0 HE3 LYS A 164 -14.994 7.219 8.200 1.00 50.30 H new ATOM 0 HZ1 LYS A 164 -16.872 7.780 9.596 1.00 13.13 H new ATOM 0 HZ2 LYS A 164 -17.298 7.937 7.960 1.00 13.13 H new ATOM 0 HZ3 LYS A 164 -17.830 6.593 8.851 1.00 13.13 H new ATOM 314 N GLN A 165 -9.878 5.587 6.120 1.00 22.53 N ATOM 315 CA GLN A 165 -8.695 6.457 6.077 1.00 11.45 C ATOM 316 C GLN A 165 -7.924 6.292 4.756 1.00 12.33 C ATOM 317 O GLN A 165 -8.165 5.356 3.998 1.00 45.34 O ATOM 318 CB GLN A 165 -7.783 6.162 7.276 1.00 11.01 C ATOM 319 CG GLN A 165 -8.496 6.267 8.625 1.00 33.45 C ATOM 320 CD GLN A 165 -9.094 7.642 8.886 1.00 20.41 C ATOM 321 OE1 GLN A 165 -8.572 8.661 8.442 1.00 34.25 O ATOM 322 NE2 GLN A 165 -10.197 7.682 9.605 1.00 22.23 N ATOM 0 H GLN A 165 -9.674 4.602 6.289 1.00 22.53 H new ATOM 0 HA GLN A 165 -9.032 7.492 6.133 1.00 11.45 H new ATOM 0 HB2 GLN A 165 -7.369 5.159 7.170 1.00 11.01 H new ATOM 0 HB3 GLN A 165 -6.943 6.856 7.263 1.00 11.01 H new ATOM 0 HG2 GLN A 165 -9.289 5.520 8.668 1.00 33.45 H new ATOM 0 HG3 GLN A 165 -7.790 6.029 9.421 1.00 33.45 H new ATOM 0 HE21 GLN A 165 -10.606 6.818 9.960 1.00 22.23 H new ATOM 0 HE22 GLN A 165 -10.642 8.577 9.807 1.00 22.23 H new ATOM 331 N ARG A 166 -6.995 7.208 4.478 1.00 43.21 N ATOM 332 CA ARG A 166 -6.218 7.164 3.230 1.00 65.33 C ATOM 333 C ARG A 166 -4.913 7.965 3.351 1.00 62.32 C ATOM 334 O ARG A 166 -4.797 8.862 4.187 1.00 53.44 O ATOM 335 CB ARG A 166 -7.051 7.694 2.043 1.00 40.10 C ATOM 336 CG ARG A 166 -7.301 9.208 2.048 1.00 45.30 C ATOM 337 CD ARG A 166 -8.158 9.663 3.228 1.00 24.53 C ATOM 338 NE ARG A 166 -8.389 11.110 3.217 1.00 23.42 N ATOM 339 CZ ARG A 166 -8.618 11.825 4.291 1.00 14.33 C ATOM 340 NH1 ARG A 166 -8.601 11.276 5.461 1.00 50.24 N ATOM 341 NH2 ARG A 166 -8.849 13.095 4.194 1.00 55.42 N ATOM 0 H ARG A 166 -6.760 7.987 5.094 1.00 43.21 H new ATOM 0 HA ARG A 166 -5.963 6.120 3.045 1.00 65.33 H new ATOM 0 HB2 ARG A 166 -6.543 7.428 1.116 1.00 40.10 H new ATOM 0 HB3 ARG A 166 -8.013 7.182 2.038 1.00 40.10 H new ATOM 0 HG2 ARG A 166 -6.344 9.729 2.077 1.00 45.30 H new ATOM 0 HG3 ARG A 166 -7.791 9.494 1.117 1.00 45.30 H new ATOM 0 HD2 ARG A 166 -9.116 9.143 3.201 1.00 24.53 H new ATOM 0 HD3 ARG A 166 -7.669 9.382 4.160 1.00 24.53 H new ATOM 0 HE ARG A 166 -8.370 11.591 2.317 1.00 23.42 H new ATOM 0 HH11 ARG A 166 -8.408 10.279 5.554 1.00 50.24 H new ATOM 0 HH12 ARG A 166 -8.780 11.840 6.292 1.00 50.24 H new ATOM 0 HH21 ARG A 166 -8.853 13.544 3.278 1.00 55.42 H new ATOM 0 HH22 ARG A 166 -9.027 13.647 5.033 1.00 55.42 H new ATOM 355 N THR A 167 -3.936 7.634 2.510 1.00 5.03 N ATOM 356 CA THR A 167 -2.652 8.350 2.481 1.00 1.43 C ATOM 357 C THR A 167 -1.980 8.245 1.105 1.00 72.55 C ATOM 358 O THR A 167 -2.288 7.351 0.314 1.00 70.23 O ATOM 359 CB THR A 167 -1.665 7.819 3.554 1.00 24.45 C ATOM 360 OG1 THR A 167 -0.432 8.556 3.501 1.00 30.21 O ATOM 361 CG2 THR A 167 -1.378 6.332 3.357 1.00 64.03 C ATOM 0 H THR A 167 -4.005 6.872 1.835 1.00 5.03 H new ATOM 0 HA THR A 167 -2.885 9.393 2.696 1.00 1.43 H new ATOM 0 HB THR A 167 -2.131 7.954 4.530 1.00 24.45 H new ATOM 0 HG1 THR A 167 0.183 8.214 4.183 1.00 30.21 H new ATOM 0 HG21 THR A 167 -0.683 5.991 4.125 1.00 64.03 H new ATOM 0 HG22 THR A 167 -2.308 5.769 3.433 1.00 64.03 H new ATOM 0 HG23 THR A 167 -0.937 6.174 2.373 1.00 64.03 H new ATOM 369 N VAL A 168 -1.066 9.167 0.824 1.00 5.10 N ATOM 370 CA VAL A 168 -0.311 9.161 -0.433 1.00 12.23 C ATOM 371 C VAL A 168 1.203 9.157 -0.159 1.00 52.52 C ATOM 372 O VAL A 168 1.707 9.980 0.609 1.00 15.24 O ATOM 373 CB VAL A 168 -0.670 10.384 -1.320 1.00 30.41 C ATOM 374 CG1 VAL A 168 0.120 10.361 -2.624 1.00 14.40 C ATOM 375 CG2 VAL A 168 -2.173 10.438 -1.595 1.00 73.20 C ATOM 0 H VAL A 168 -0.826 9.935 1.451 1.00 5.10 H new ATOM 0 HA VAL A 168 -0.585 8.252 -0.968 1.00 12.23 H new ATOM 0 HB VAL A 168 -0.395 11.287 -0.774 1.00 30.41 H new ATOM 0 HG11 VAL A 168 -0.149 11.228 -3.228 1.00 14.40 H new ATOM 0 HG12 VAL A 168 1.187 10.390 -2.403 1.00 14.40 H new ATOM 0 HG13 VAL A 168 -0.112 9.449 -3.174 1.00 14.40 H new ATOM 0 HG21 VAL A 168 -2.398 11.304 -2.218 1.00 73.20 H new ATOM 0 HG22 VAL A 168 -2.481 9.529 -2.112 1.00 73.20 H new ATOM 0 HG23 VAL A 168 -2.713 10.520 -0.652 1.00 73.20 H new ATOM 385 N VAL A 169 1.921 8.223 -0.784 1.00 20.43 N ATOM 386 CA VAL A 169 3.376 8.092 -0.600 1.00 54.41 C ATOM 387 C VAL A 169 4.131 8.133 -1.946 1.00 64.41 C ATOM 388 O VAL A 169 3.657 7.599 -2.948 1.00 32.02 O ATOM 389 CB VAL A 169 3.726 6.779 0.152 1.00 10.24 C ATOM 390 CG1 VAL A 169 3.252 6.843 1.605 1.00 12.33 C ATOM 391 CG2 VAL A 169 3.116 5.570 -0.559 1.00 21.11 C ATOM 0 H VAL A 169 1.520 7.540 -1.427 1.00 20.43 H new ATOM 0 HA VAL A 169 3.696 8.945 -0.001 1.00 54.41 H new ATOM 0 HB VAL A 169 4.810 6.667 0.151 1.00 10.24 H new ATOM 0 HG11 VAL A 169 3.508 5.913 2.112 1.00 12.33 H new ATOM 0 HG12 VAL A 169 3.739 7.677 2.110 1.00 12.33 H new ATOM 0 HG13 VAL A 169 2.171 6.984 1.629 1.00 12.33 H new ATOM 0 HG21 VAL A 169 3.373 4.661 -0.016 1.00 21.11 H new ATOM 0 HG22 VAL A 169 2.032 5.677 -0.594 1.00 21.11 H new ATOM 0 HG23 VAL A 169 3.508 5.509 -1.574 1.00 21.11 H new ATOM 401 N PRO A 170 5.315 8.780 -1.989 1.00 41.03 N ATOM 402 CA PRO A 170 6.119 8.898 -3.223 1.00 23.40 C ATOM 403 C PRO A 170 6.694 7.555 -3.708 1.00 23.34 C ATOM 404 O PRO A 170 7.410 6.872 -2.972 1.00 65.44 O ATOM 405 CB PRO A 170 7.261 9.856 -2.826 1.00 2.43 C ATOM 406 CG PRO A 170 6.822 10.484 -1.543 1.00 52.42 C ATOM 407 CD PRO A 170 5.963 9.460 -0.857 1.00 41.42 C ATOM 0 HA PRO A 170 5.510 9.252 -4.054 1.00 23.40 H new ATOM 0 HB2 PRO A 170 8.200 9.317 -2.699 1.00 2.43 H new ATOM 0 HB3 PRO A 170 7.428 10.610 -3.596 1.00 2.43 H new ATOM 0 HG2 PRO A 170 7.679 10.752 -0.926 1.00 52.42 H new ATOM 0 HG3 PRO A 170 6.264 11.402 -1.728 1.00 52.42 H new ATOM 0 HD2 PRO A 170 6.555 8.771 -0.255 1.00 41.42 H new ATOM 0 HD3 PRO A 170 5.235 9.922 -0.190 1.00 41.42 H new ATOM 415 N ALA A 171 6.386 7.189 -4.951 1.00 54.43 N ATOM 416 CA ALA A 171 6.906 5.956 -5.548 1.00 64.10 C ATOM 417 C ALA A 171 8.393 6.095 -5.908 1.00 74.51 C ATOM 418 O ALA A 171 8.750 6.713 -6.916 1.00 52.51 O ATOM 419 CB ALA A 171 6.091 5.582 -6.782 1.00 25.00 C ATOM 0 H ALA A 171 5.778 7.729 -5.567 1.00 54.43 H new ATOM 0 HA ALA A 171 6.815 5.159 -4.810 1.00 64.10 H new ATOM 0 HB1 ALA A 171 6.488 4.664 -7.216 1.00 25.00 H new ATOM 0 HB2 ALA A 171 5.050 5.428 -6.498 1.00 25.00 H new ATOM 0 HB3 ALA A 171 6.152 6.386 -7.516 1.00 25.00 H new ATOM 425 N ARG A 172 9.252 5.512 -5.079 1.00 54.20 N ATOM 426 CA ARG A 172 10.707 5.583 -5.272 1.00 34.02 C ATOM 427 C ARG A 172 11.291 4.203 -5.616 1.00 61.41 C ATOM 428 O ARG A 172 10.914 3.195 -5.018 1.00 63.35 O ATOM 429 CB ARG A 172 11.367 6.120 -3.993 1.00 13.41 C ATOM 430 CG ARG A 172 10.817 7.469 -3.535 1.00 24.14 C ATOM 431 CD ARG A 172 11.403 7.891 -2.191 1.00 44.31 C ATOM 432 NE ARG A 172 10.868 9.176 -1.736 1.00 45.23 N ATOM 433 CZ ARG A 172 10.584 9.464 -0.492 1.00 15.43 C ATOM 434 NH1 ARG A 172 10.735 8.589 0.450 1.00 61.04 N ATOM 435 NH2 ARG A 172 10.141 10.640 -0.194 1.00 65.34 N ATOM 0 H ARG A 172 8.968 4.979 -4.257 1.00 54.20 H new ATOM 0 HA ARG A 172 10.911 6.255 -6.106 1.00 34.02 H new ATOM 0 HB2 ARG A 172 11.232 5.392 -3.193 1.00 13.41 H new ATOM 0 HB3 ARG A 172 12.440 6.214 -4.161 1.00 13.41 H new ATOM 0 HG2 ARG A 172 11.043 8.227 -4.285 1.00 24.14 H new ATOM 0 HG3 ARG A 172 9.731 7.412 -3.457 1.00 24.14 H new ATOM 0 HD2 ARG A 172 11.188 7.125 -1.446 1.00 44.31 H new ATOM 0 HD3 ARG A 172 12.488 7.959 -2.274 1.00 44.31 H new ATOM 0 HE ARG A 172 10.705 9.897 -2.439 1.00 45.23 H new ATOM 0 HH11 ARG A 172 11.081 7.655 0.228 1.00 61.04 H new ATOM 0 HH12 ARG A 172 10.508 8.833 1.414 1.00 61.04 H new ATOM 0 HH21 ARG A 172 10.014 11.338 -0.927 1.00 65.34 H new ATOM 0 HH22 ARG A 172 9.918 10.871 0.774 1.00 65.34 H new ATOM 449 N CYS A 173 12.215 4.157 -6.575 1.00 23.20 N ATOM 450 CA CYS A 173 12.855 2.891 -6.969 1.00 44.41 C ATOM 451 C CYS A 173 13.870 2.426 -5.916 1.00 55.12 C ATOM 452 O CYS A 173 14.774 3.176 -5.535 1.00 32.21 O ATOM 453 CB CYS A 173 13.548 3.026 -8.329 1.00 5.43 C ATOM 454 SG CYS A 173 14.355 1.506 -8.887 1.00 15.53 S ATOM 0 H CYS A 173 12.539 4.973 -7.094 1.00 23.20 H new ATOM 0 HA CYS A 173 12.067 2.142 -7.046 1.00 44.41 H new ATOM 0 HB2 CYS A 173 12.812 3.331 -9.073 1.00 5.43 H new ATOM 0 HB3 CYS A 173 14.291 3.821 -8.271 1.00 5.43 H new ATOM 0 HG CYS A 173 14.912 1.710 -10.044 1.00 15.53 H new ATOM 460 N GLY A 174 13.717 1.188 -5.453 1.00 73.32 N ATOM 461 CA GLY A 174 14.581 0.657 -4.401 1.00 32.31 C ATOM 462 C GLY A 174 13.862 0.525 -3.063 1.00 21.23 C ATOM 463 O GLY A 174 14.199 -0.337 -2.248 1.00 14.45 O ATOM 0 H GLY A 174 13.007 0.536 -5.787 1.00 73.32 H new ATOM 0 HA2 GLY A 174 14.958 -0.320 -4.704 1.00 32.31 H new ATOM 0 HA3 GLY A 174 15.446 1.310 -4.282 1.00 32.31 H new ATOM 467 N VAL A 175 12.865 1.380 -2.841 1.00 42.15 N ATOM 468 CA VAL A 175 12.077 1.359 -1.605 1.00 41.12 C ATOM 469 C VAL A 175 10.866 0.422 -1.736 1.00 51.14 C ATOM 470 O VAL A 175 10.143 0.464 -2.732 1.00 21.50 O ATOM 471 CB VAL A 175 11.581 2.782 -1.235 1.00 13.41 C ATOM 472 CG1 VAL A 175 10.775 2.764 0.066 1.00 54.31 C ATOM 473 CG2 VAL A 175 12.759 3.750 -1.135 1.00 13.12 C ATOM 0 H VAL A 175 12.581 2.101 -3.504 1.00 42.15 H new ATOM 0 HA VAL A 175 12.730 0.990 -0.814 1.00 41.12 H new ATOM 0 HB VAL A 175 10.919 3.128 -2.029 1.00 13.41 H new ATOM 0 HG11 VAL A 175 10.440 3.774 0.301 1.00 54.31 H new ATOM 0 HG12 VAL A 175 9.909 2.113 -0.052 1.00 54.31 H new ATOM 0 HG13 VAL A 175 11.401 2.392 0.877 1.00 54.31 H new ATOM 0 HG21 VAL A 175 12.393 4.743 -0.875 1.00 13.12 H new ATOM 0 HG22 VAL A 175 13.449 3.405 -0.365 1.00 13.12 H new ATOM 0 HG23 VAL A 175 13.276 3.794 -2.093 1.00 13.12 H new ATOM 483 N THR A 176 10.646 -0.417 -0.729 1.00 63.31 N ATOM 484 CA THR A 176 9.510 -1.351 -0.735 1.00 32.21 C ATOM 485 C THR A 176 8.219 -0.668 -0.268 1.00 53.12 C ATOM 486 O THR A 176 8.254 0.326 0.462 1.00 24.42 O ATOM 487 CB THR A 176 9.768 -2.572 0.179 1.00 35.02 C ATOM 488 OG1 THR A 176 9.858 -2.153 1.550 1.00 63.44 O ATOM 489 CG2 THR A 176 11.050 -3.298 -0.222 1.00 73.33 C ATOM 0 H THR A 176 11.234 -0.474 0.103 1.00 63.31 H new ATOM 0 HA THR A 176 9.398 -1.685 -1.767 1.00 32.21 H new ATOM 0 HB THR A 176 8.931 -3.261 0.064 1.00 35.02 H new ATOM 0 HG1 THR A 176 10.020 -2.933 2.121 1.00 63.44 H new ATOM 0 HG21 THR A 176 11.206 -4.152 0.437 1.00 73.33 H new ATOM 0 HG22 THR A 176 10.964 -3.646 -1.252 1.00 73.33 H new ATOM 0 HG23 THR A 176 11.896 -2.616 -0.139 1.00 73.33 H new ATOM 497 N VAL A 177 7.076 -1.206 -0.693 1.00 15.34 N ATOM 498 CA VAL A 177 5.770 -0.710 -0.240 1.00 51.02 C ATOM 499 C VAL A 177 5.685 -0.712 1.297 1.00 15.04 C ATOM 500 O VAL A 177 5.147 0.215 1.905 1.00 2.43 O ATOM 501 CB VAL A 177 4.613 -1.565 -0.821 1.00 34.23 C ATOM 502 CG1 VAL A 177 3.251 -1.052 -0.350 1.00 24.45 C ATOM 503 CG2 VAL A 177 4.681 -1.597 -2.347 1.00 42.05 C ATOM 0 H VAL A 177 7.025 -1.985 -1.350 1.00 15.34 H new ATOM 0 HA VAL A 177 5.668 0.313 -0.603 1.00 51.02 H new ATOM 0 HB VAL A 177 4.731 -2.583 -0.449 1.00 34.23 H new ATOM 0 HG11 VAL A 177 2.462 -1.672 -0.775 1.00 24.45 H new ATOM 0 HG12 VAL A 177 3.202 -1.097 0.738 1.00 24.45 H new ATOM 0 HG13 VAL A 177 3.118 -0.021 -0.677 1.00 24.45 H new ATOM 0 HG21 VAL A 177 3.861 -2.202 -2.735 1.00 42.05 H new ATOM 0 HG22 VAL A 177 4.599 -0.582 -2.736 1.00 42.05 H new ATOM 0 HG23 VAL A 177 5.631 -2.030 -2.660 1.00 42.05 H new ATOM 513 N ARG A 178 6.247 -1.754 1.913 1.00 3.30 N ATOM 514 CA ARG A 178 6.290 -1.875 3.375 1.00 31.31 C ATOM 515 C ARG A 178 7.048 -0.698 4.004 1.00 43.25 C ATOM 516 O ARG A 178 6.538 -0.013 4.890 1.00 42.14 O ATOM 517 CB ARG A 178 6.979 -3.188 3.781 1.00 74.51 C ATOM 518 CG ARG A 178 6.770 -3.555 5.247 1.00 70.43 C ATOM 519 CD ARG A 178 7.745 -4.631 5.720 1.00 61.04 C ATOM 520 NE ARG A 178 7.610 -5.884 4.974 1.00 23.34 N ATOM 521 CZ ARG A 178 6.985 -6.939 5.418 1.00 44.21 C ATOM 522 NH1 ARG A 178 6.399 -6.923 6.572 1.00 71.04 N ATOM 523 NH2 ARG A 178 6.963 -8.021 4.712 1.00 51.00 N ATOM 0 H ARG A 178 6.682 -2.533 1.419 1.00 3.30 H new ATOM 0 HA ARG A 178 5.262 -1.870 3.738 1.00 31.31 H new ATOM 0 HB2 ARG A 178 6.602 -3.996 3.155 1.00 74.51 H new ATOM 0 HB3 ARG A 178 8.048 -3.105 3.584 1.00 74.51 H new ATOM 0 HG2 ARG A 178 6.889 -2.664 5.863 1.00 70.43 H new ATOM 0 HG3 ARG A 178 5.748 -3.906 5.389 1.00 70.43 H new ATOM 0 HD2 ARG A 178 8.765 -4.261 5.619 1.00 61.04 H new ATOM 0 HD3 ARG A 178 7.580 -4.824 6.780 1.00 61.04 H new ATOM 0 HE ARG A 178 8.032 -5.935 4.047 1.00 23.34 H new ATOM 0 HH11 ARG A 178 6.423 -6.079 7.145 1.00 71.04 H new ATOM 0 HH12 ARG A 178 5.913 -7.754 6.909 1.00 71.04 H new ATOM 0 HH21 ARG A 178 7.434 -8.050 3.808 1.00 51.00 H new ATOM 0 HH22 ARG A 178 6.474 -8.846 5.059 1.00 51.00 H new ATOM 537 N ASP A 179 8.270 -0.470 3.527 1.00 73.45 N ATOM 538 CA ASP A 179 9.128 0.594 4.057 1.00 44.53 C ATOM 539 C ASP A 179 8.567 1.988 3.721 1.00 73.33 C ATOM 540 O ASP A 179 8.915 2.978 4.360 1.00 64.00 O ATOM 541 CB ASP A 179 10.549 0.432 3.507 1.00 30.24 C ATOM 542 CG ASP A 179 11.555 1.331 4.206 1.00 0.23 C ATOM 543 OD1 ASP A 179 11.928 1.022 5.359 1.00 3.21 O ATOM 544 OD2 ASP A 179 11.974 2.348 3.615 1.00 43.35 O ATOM 0 H ASP A 179 8.692 -1.009 2.771 1.00 73.45 H new ATOM 0 HA ASP A 179 9.154 0.509 5.143 1.00 44.53 H new ATOM 0 HB2 ASP A 179 10.860 -0.607 3.615 1.00 30.24 H new ATOM 0 HB3 ASP A 179 10.549 0.655 2.440 1.00 30.24 H new ATOM 549 N SER A 180 7.696 2.057 2.718 1.00 2.15 N ATOM 550 CA SER A 180 7.026 3.318 2.359 1.00 34.44 C ATOM 551 C SER A 180 5.833 3.604 3.284 1.00 72.32 C ATOM 552 O SER A 180 5.652 4.727 3.761 1.00 52.22 O ATOM 553 CB SER A 180 6.540 3.277 0.902 1.00 42.10 C ATOM 554 OG SER A 180 7.623 3.124 -0.001 1.00 70.15 O ATOM 0 H SER A 180 7.434 1.261 2.137 1.00 2.15 H new ATOM 0 HA SER A 180 7.758 4.117 2.476 1.00 34.44 H new ATOM 0 HB2 SER A 180 5.838 2.453 0.774 1.00 42.10 H new ATOM 0 HB3 SER A 180 5.999 4.195 0.671 1.00 42.10 H new ATOM 0 HG SER A 180 7.853 2.175 -0.078 1.00 70.15 H new ATOM 560 N LEU A 181 5.025 2.578 3.542 1.00 31.34 N ATOM 561 CA LEU A 181 3.793 2.731 4.332 1.00 23.35 C ATOM 562 C LEU A 181 4.011 2.469 5.832 1.00 54.31 C ATOM 563 O LEU A 181 3.069 2.568 6.616 1.00 34.03 O ATOM 564 CB LEU A 181 2.708 1.784 3.799 1.00 34.12 C ATOM 565 CG LEU A 181 2.238 2.066 2.362 1.00 33.33 C ATOM 566 CD1 LEU A 181 1.203 1.035 1.917 1.00 5.43 C ATOM 567 CD2 LEU A 181 1.673 3.481 2.250 1.00 41.51 C ATOM 0 H LEU A 181 5.197 1.627 3.217 1.00 31.34 H new ATOM 0 HA LEU A 181 3.476 3.768 4.226 1.00 23.35 H new ATOM 0 HB2 LEU A 181 3.085 0.762 3.846 1.00 34.12 H new ATOM 0 HB3 LEU A 181 1.845 1.836 4.463 1.00 34.12 H new ATOM 0 HG LEU A 181 3.100 1.987 1.700 1.00 33.33 H new ATOM 0 HD11 LEU A 181 0.885 1.255 0.898 1.00 5.43 H new ATOM 0 HD12 LEU A 181 1.643 0.039 1.953 1.00 5.43 H new ATOM 0 HD13 LEU A 181 0.341 1.075 2.582 1.00 5.43 H new ATOM 0 HD21 LEU A 181 1.346 3.662 1.226 1.00 41.51 H new ATOM 0 HD22 LEU A 181 0.825 3.589 2.926 1.00 41.51 H new ATOM 0 HD23 LEU A 181 2.445 4.203 2.517 1.00 41.51 H new ATOM 579 N LYS A 182 5.243 2.146 6.227 1.00 21.15 N ATOM 580 CA LYS A 182 5.558 1.846 7.636 1.00 11.02 C ATOM 581 C LYS A 182 5.062 2.949 8.592 1.00 53.53 C ATOM 582 O LYS A 182 4.598 2.664 9.696 1.00 43.14 O ATOM 583 CB LYS A 182 7.071 1.621 7.811 1.00 21.40 C ATOM 584 CG LYS A 182 7.935 2.824 7.440 1.00 11.31 C ATOM 585 CD LYS A 182 9.425 2.493 7.509 1.00 53.54 C ATOM 586 CE LYS A 182 10.292 3.678 7.094 1.00 54.24 C ATOM 587 NZ LYS A 182 11.729 3.306 6.990 1.00 23.02 N ATOM 0 H LYS A 182 6.042 2.084 5.597 1.00 21.15 H new ATOM 0 HA LYS A 182 5.028 0.930 7.899 1.00 11.02 H new ATOM 0 HB2 LYS A 182 7.268 1.354 8.849 1.00 21.40 H new ATOM 0 HB3 LYS A 182 7.373 0.770 7.200 1.00 21.40 H new ATOM 0 HG2 LYS A 182 7.682 3.157 6.433 1.00 11.31 H new ATOM 0 HG3 LYS A 182 7.715 3.652 8.114 1.00 11.31 H new ATOM 0 HD2 LYS A 182 9.683 2.192 8.524 1.00 53.54 H new ATOM 0 HD3 LYS A 182 9.638 1.643 6.861 1.00 53.54 H new ATOM 0 HE2 LYS A 182 9.946 4.062 6.134 1.00 54.24 H new ATOM 0 HE3 LYS A 182 10.177 4.483 7.820 1.00 54.24 H new ATOM 0 HZ1 LYS A 182 12.239 4.038 6.456 1.00 23.02 H new ATOM 0 HZ2 LYS A 182 12.137 3.225 7.943 1.00 23.02 H new ATOM 0 HZ3 LYS A 182 11.817 2.394 6.498 1.00 23.02 H new ATOM 601 N LYS A 183 5.149 4.205 8.157 1.00 52.02 N ATOM 602 CA LYS A 183 4.647 5.333 8.947 1.00 11.22 C ATOM 603 C LYS A 183 3.112 5.298 9.056 1.00 75.41 C ATOM 604 O LYS A 183 2.547 5.470 10.142 1.00 14.32 O ATOM 605 CB LYS A 183 5.102 6.658 8.322 1.00 10.24 C ATOM 606 CG LYS A 183 4.586 7.893 9.053 1.00 0.52 C ATOM 607 CD LYS A 183 5.072 9.183 8.399 1.00 64.24 C ATOM 608 CE LYS A 183 4.589 10.423 9.145 1.00 42.43 C ATOM 609 NZ LYS A 183 5.137 11.670 8.548 1.00 23.24 N ATOM 0 H LYS A 183 5.562 4.469 7.263 1.00 52.02 H new ATOM 0 HA LYS A 183 5.058 5.251 9.953 1.00 11.22 H new ATOM 0 HB2 LYS A 183 6.192 6.686 8.306 1.00 10.24 H new ATOM 0 HB3 LYS A 183 4.766 6.694 7.286 1.00 10.24 H new ATOM 0 HG2 LYS A 183 3.496 7.880 9.065 1.00 0.52 H new ATOM 0 HG3 LYS A 183 4.916 7.865 10.091 1.00 0.52 H new ATOM 0 HD2 LYS A 183 6.161 9.183 8.364 1.00 64.24 H new ATOM 0 HD3 LYS A 183 4.720 9.221 7.368 1.00 64.24 H new ATOM 0 HE2 LYS A 183 3.500 10.458 9.126 1.00 42.43 H new ATOM 0 HE3 LYS A 183 4.888 10.358 10.191 1.00 42.43 H new ATOM 0 HZ1 LYS A 183 4.788 12.492 9.080 1.00 23.24 H new ATOM 0 HZ2 LYS A 183 6.176 11.647 8.589 1.00 23.24 H new ATOM 0 HZ3 LYS A 183 4.831 11.744 7.557 1.00 23.24 H new ATOM 623 N ALA A 184 2.448 5.067 7.923 1.00 74.10 N ATOM 624 CA ALA A 184 0.984 4.991 7.875 1.00 72.30 C ATOM 625 C ALA A 184 0.455 3.846 8.751 1.00 53.33 C ATOM 626 O ALA A 184 -0.523 4.006 9.481 1.00 51.14 O ATOM 627 CB ALA A 184 0.516 4.817 6.435 1.00 11.31 C ATOM 0 H ALA A 184 2.902 4.928 7.020 1.00 74.10 H new ATOM 0 HA ALA A 184 0.583 5.925 8.270 1.00 72.30 H new ATOM 0 HB1 ALA A 184 -0.572 4.762 6.410 1.00 11.31 H new ATOM 0 HB2 ALA A 184 0.850 5.666 5.839 1.00 11.31 H new ATOM 0 HB3 ALA A 184 0.935 3.898 6.025 1.00 11.31 H new ATOM 633 N LEU A 185 1.112 2.695 8.675 1.00 53.44 N ATOM 634 CA LEU A 185 0.756 1.542 9.504 1.00 75.43 C ATOM 635 C LEU A 185 0.991 1.835 10.994 1.00 5.34 C ATOM 636 O LEU A 185 0.136 1.553 11.837 1.00 32.30 O ATOM 637 CB LEU A 185 1.571 0.315 9.075 1.00 4.22 C ATOM 638 CG LEU A 185 1.357 -0.143 7.622 1.00 24.43 C ATOM 639 CD1 LEU A 185 2.270 -1.320 7.291 1.00 24.34 C ATOM 640 CD2 LEU A 185 -0.108 -0.509 7.379 1.00 75.13 C ATOM 0 H LEU A 185 1.898 2.532 8.046 1.00 53.44 H new ATOM 0 HA LEU A 185 -0.305 1.338 9.362 1.00 75.43 H new ATOM 0 HB2 LEU A 185 2.629 0.535 9.217 1.00 4.22 H new ATOM 0 HB3 LEU A 185 1.326 -0.514 9.739 1.00 4.22 H new ATOM 0 HG LEU A 185 1.613 0.685 6.961 1.00 24.43 H new ATOM 0 HD11 LEU A 185 2.104 -1.630 6.259 1.00 24.34 H new ATOM 0 HD12 LEU A 185 3.310 -1.020 7.417 1.00 24.34 H new ATOM 0 HD13 LEU A 185 2.048 -2.152 7.960 1.00 24.34 H new ATOM 0 HD21 LEU A 185 -0.236 -0.830 6.345 1.00 75.13 H new ATOM 0 HD22 LEU A 185 -0.397 -1.319 8.049 1.00 75.13 H new ATOM 0 HD23 LEU A 185 -0.737 0.361 7.569 1.00 75.13 H new ATOM 652 N MET A 186 2.145 2.423 11.307 1.00 24.23 N ATOM 653 CA MET A 186 2.495 2.770 12.689 1.00 44.52 C ATOM 654 C MET A 186 1.439 3.688 13.330 1.00 23.45 C ATOM 655 O MET A 186 0.957 3.418 14.433 1.00 71.03 O ATOM 656 CB MET A 186 3.873 3.444 12.732 1.00 45.33 C ATOM 657 CG MET A 186 4.344 3.800 14.135 1.00 54.11 C ATOM 658 SD MET A 186 4.425 2.365 15.226 1.00 72.32 S ATOM 659 CE MET A 186 4.997 3.116 16.750 1.00 31.14 C ATOM 0 H MET A 186 2.858 2.671 10.621 1.00 24.23 H new ATOM 0 HA MET A 186 2.526 1.845 13.265 1.00 44.52 H new ATOM 0 HB2 MET A 186 4.605 2.781 12.271 1.00 45.33 H new ATOM 0 HB3 MET A 186 3.841 4.352 12.129 1.00 45.33 H new ATOM 0 HG2 MET A 186 5.329 4.263 14.077 1.00 54.11 H new ATOM 0 HG3 MET A 186 3.668 4.540 14.564 1.00 54.11 H new ATOM 0 HE1 MET A 186 5.095 2.350 17.519 1.00 31.14 H new ATOM 0 HE2 MET A 186 5.965 3.587 16.582 1.00 31.14 H new ATOM 0 HE3 MET A 186 4.279 3.868 17.077 1.00 31.14 H new ATOM 669 N MET A 187 1.068 4.763 12.628 1.00 73.45 N ATOM 670 CA MET A 187 0.078 5.719 13.150 1.00 54.10 C ATOM 671 C MET A 187 -1.326 5.091 13.258 1.00 4.43 C ATOM 672 O MET A 187 -2.203 5.627 13.940 1.00 52.05 O ATOM 673 CB MET A 187 0.026 6.990 12.284 1.00 54.14 C ATOM 674 CG MET A 187 -0.448 6.758 10.855 1.00 22.51 C ATOM 675 SD MET A 187 -0.596 8.290 9.908 1.00 4.01 S ATOM 676 CE MET A 187 -1.833 9.167 10.864 1.00 74.11 C ATOM 0 H MET A 187 1.433 4.995 11.704 1.00 73.45 H new ATOM 0 HA MET A 187 0.400 5.993 14.155 1.00 54.10 H new ATOM 0 HB2 MET A 187 -0.636 7.713 12.761 1.00 54.14 H new ATOM 0 HB3 MET A 187 1.020 7.437 12.256 1.00 54.14 H new ATOM 0 HG2 MET A 187 0.250 6.090 10.350 1.00 22.51 H new ATOM 0 HG3 MET A 187 -1.414 6.254 10.875 1.00 22.51 H new ATOM 0 HE1 MET A 187 -2.301 9.930 10.241 1.00 74.11 H new ATOM 0 HE2 MET A 187 -2.592 8.465 11.209 1.00 74.11 H new ATOM 0 HE3 MET A 187 -1.360 9.641 11.724 1.00 74.11 H new ATOM 686 N ARG A 188 -1.547 3.968 12.572 1.00 15.34 N ATOM 687 CA ARG A 188 -2.814 3.229 12.689 1.00 61.22 C ATOM 688 C ARG A 188 -2.704 2.084 13.710 1.00 31.42 C ATOM 689 O ARG A 188 -3.714 1.509 14.123 1.00 30.12 O ATOM 690 CB ARG A 188 -3.245 2.656 11.331 1.00 53.10 C ATOM 691 CG ARG A 188 -3.481 3.702 10.244 1.00 3.52 C ATOM 692 CD ARG A 188 -4.390 4.839 10.709 1.00 25.13 C ATOM 693 NE ARG A 188 -5.604 4.366 11.377 1.00 2.41 N ATOM 694 CZ ARG A 188 -6.684 3.964 10.764 1.00 51.42 C ATOM 695 NH1 ARG A 188 -6.710 3.840 9.473 1.00 53.20 N ATOM 696 NH2 ARG A 188 -7.734 3.659 11.449 1.00 22.52 N ATOM 0 H ARG A 188 -0.872 3.549 11.932 1.00 15.34 H new ATOM 0 HA ARG A 188 -3.566 3.939 13.035 1.00 61.22 H new ATOM 0 HB2 ARG A 188 -2.480 1.960 10.986 1.00 53.10 H new ATOM 0 HB3 ARG A 188 -4.161 2.081 11.468 1.00 53.10 H new ATOM 0 HG2 ARG A 188 -2.523 4.114 9.928 1.00 3.52 H new ATOM 0 HG3 ARG A 188 -3.924 3.221 9.372 1.00 3.52 H new ATOM 0 HD2 ARG A 188 -3.835 5.484 11.390 1.00 25.13 H new ATOM 0 HD3 ARG A 188 -4.669 5.448 9.849 1.00 25.13 H new ATOM 0 HE ARG A 188 -5.606 4.349 12.397 1.00 2.41 H new ATOM 0 HH11 ARG A 188 -5.879 4.058 8.923 1.00 53.20 H new ATOM 0 HH12 ARG A 188 -7.561 3.525 9.008 1.00 53.20 H new ATOM 0 HH21 ARG A 188 -7.718 3.732 12.466 1.00 22.52 H new ATOM 0 HH22 ARG A 188 -8.580 3.345 10.973 1.00 22.52 H new ATOM 710 N GLY A 189 -1.473 1.754 14.101 1.00 55.43 N ATOM 711 CA GLY A 189 -1.242 0.659 15.038 1.00 61.35 C ATOM 712 C GLY A 189 -1.380 -0.717 14.396 1.00 54.03 C ATOM 713 O GLY A 189 -1.697 -1.700 15.069 1.00 3.01 O ATOM 0 H GLY A 189 -0.626 2.227 13.785 1.00 55.43 H new ATOM 0 HA2 GLY A 189 -0.243 0.757 15.462 1.00 61.35 H new ATOM 0 HA3 GLY A 189 -1.949 0.740 15.864 1.00 61.35 H new ATOM 717 N LEU A 190 -1.119 -0.791 13.093 1.00 74.34 N ATOM 718 CA LEU A 190 -1.272 -2.038 12.336 1.00 4.34 C ATOM 719 C LEU A 190 0.081 -2.578 11.850 1.00 34.32 C ATOM 720 O LEU A 190 0.884 -1.845 11.279 1.00 22.14 O ATOM 721 CB LEU A 190 -2.197 -1.805 11.132 1.00 21.25 C ATOM 722 CG LEU A 190 -3.615 -1.314 11.474 1.00 52.24 C ATOM 723 CD1 LEU A 190 -4.419 -1.058 10.200 1.00 3.54 C ATOM 724 CD2 LEU A 190 -4.332 -2.319 12.376 1.00 73.34 C ATOM 0 H LEU A 190 -0.799 0.000 12.534 1.00 74.34 H new ATOM 0 HA LEU A 190 -1.710 -2.781 13.003 1.00 4.34 H new ATOM 0 HB2 LEU A 190 -1.728 -1.076 10.471 1.00 21.25 H new ATOM 0 HB3 LEU A 190 -2.279 -2.737 10.572 1.00 21.25 H new ATOM 0 HG LEU A 190 -3.529 -0.372 12.016 1.00 52.24 H new ATOM 0 HD11 LEU A 190 -5.418 -0.712 10.464 1.00 3.54 H new ATOM 0 HD12 LEU A 190 -3.918 -0.298 9.600 1.00 3.54 H new ATOM 0 HD13 LEU A 190 -4.495 -1.981 9.626 1.00 3.54 H new ATOM 0 HD21 LEU A 190 -5.333 -1.953 12.606 1.00 73.34 H new ATOM 0 HD22 LEU A 190 -4.406 -3.279 11.865 1.00 73.34 H new ATOM 0 HD23 LEU A 190 -3.770 -2.443 13.301 1.00 73.34 H new ATOM 736 N ILE A 191 0.329 -3.864 12.084 1.00 71.22 N ATOM 737 CA ILE A 191 1.534 -4.522 11.569 1.00 64.10 C ATOM 738 C ILE A 191 1.314 -5.021 10.126 1.00 2.03 C ATOM 739 O ILE A 191 0.228 -5.496 9.784 1.00 3.04 O ATOM 740 CB ILE A 191 1.966 -5.710 12.470 1.00 5.14 C ATOM 741 CG1 ILE A 191 0.837 -6.750 12.584 1.00 4.15 C ATOM 742 CG2 ILE A 191 2.381 -5.201 13.853 1.00 24.34 C ATOM 743 CD1 ILE A 191 1.198 -7.960 13.420 1.00 3.34 C ATOM 0 H ILE A 191 -0.285 -4.473 12.625 1.00 71.22 H new ATOM 0 HA ILE A 191 2.331 -3.778 11.573 1.00 64.10 H new ATOM 0 HB ILE A 191 2.825 -6.199 12.010 1.00 5.14 H new ATOM 0 HG12 ILE A 191 -0.042 -6.271 13.016 1.00 4.15 H new ATOM 0 HG13 ILE A 191 0.560 -7.082 11.583 1.00 4.15 H new ATOM 0 HG21 ILE A 191 2.682 -6.044 14.476 1.00 24.34 H new ATOM 0 HG22 ILE A 191 3.217 -4.509 13.750 1.00 24.34 H new ATOM 0 HG23 ILE A 191 1.540 -4.687 14.319 1.00 24.34 H new ATOM 0 HD11 ILE A 191 0.351 -8.646 13.452 1.00 3.34 H new ATOM 0 HD12 ILE A 191 2.057 -8.465 12.978 1.00 3.34 H new ATOM 0 HD13 ILE A 191 1.446 -7.642 14.433 1.00 3.34 H new ATOM 755 N PRO A 192 2.346 -4.926 9.259 1.00 33.24 N ATOM 756 CA PRO A 192 2.233 -5.315 7.835 1.00 63.42 C ATOM 757 C PRO A 192 1.783 -6.774 7.632 1.00 20.41 C ATOM 758 O PRO A 192 1.224 -7.124 6.592 1.00 12.54 O ATOM 759 CB PRO A 192 3.659 -5.116 7.296 1.00 21.24 C ATOM 760 CG PRO A 192 4.297 -4.147 8.236 1.00 51.22 C ATOM 761 CD PRO A 192 3.697 -4.427 9.586 1.00 44.21 C ATOM 0 HA PRO A 192 1.474 -4.723 7.324 1.00 63.42 H new ATOM 0 HB2 PRO A 192 4.206 -6.059 7.270 1.00 21.24 H new ATOM 0 HB3 PRO A 192 3.645 -4.727 6.278 1.00 21.24 H new ATOM 0 HG2 PRO A 192 5.379 -4.276 8.255 1.00 51.22 H new ATOM 0 HG3 PRO A 192 4.104 -3.119 7.928 1.00 51.22 H new ATOM 0 HD2 PRO A 192 4.276 -5.167 10.138 1.00 44.21 H new ATOM 0 HD3 PRO A 192 3.656 -3.529 10.202 1.00 44.21 H new ATOM 769 N GLU A 193 2.030 -7.621 8.631 1.00 14.13 N ATOM 770 CA GLU A 193 1.686 -9.048 8.542 1.00 53.51 C ATOM 771 C GLU A 193 0.195 -9.304 8.827 1.00 62.22 C ATOM 772 O GLU A 193 -0.322 -10.378 8.537 1.00 55.33 O ATOM 773 CB GLU A 193 2.564 -9.859 9.506 1.00 10.14 C ATOM 774 CG GLU A 193 4.062 -9.627 9.314 1.00 70.12 C ATOM 775 CD GLU A 193 4.528 -9.881 7.886 1.00 14.13 C ATOM 776 OE1 GLU A 193 4.808 -11.049 7.541 1.00 4.15 O ATOM 777 OE2 GLU A 193 4.622 -8.914 7.100 1.00 34.22 O ATOM 0 H GLU A 193 2.466 -7.349 9.512 1.00 14.13 H new ATOM 0 HA GLU A 193 1.877 -9.371 7.519 1.00 53.51 H new ATOM 0 HB2 GLU A 193 2.294 -9.604 10.531 1.00 10.14 H new ATOM 0 HB3 GLU A 193 2.350 -10.920 9.374 1.00 10.14 H new ATOM 0 HG2 GLU A 193 4.303 -8.601 9.591 1.00 70.12 H new ATOM 0 HG3 GLU A 193 4.614 -10.278 9.991 1.00 70.12 H new ATOM 784 N CYS A 194 -0.492 -8.312 9.392 1.00 61.53 N ATOM 785 CA CYS A 194 -1.937 -8.420 9.654 1.00 40.33 C ATOM 786 C CYS A 194 -2.739 -7.580 8.650 1.00 35.25 C ATOM 787 O CYS A 194 -3.944 -7.379 8.807 1.00 74.15 O ATOM 788 CB CYS A 194 -2.261 -7.971 11.085 1.00 13.52 C ATOM 789 SG CYS A 194 -3.994 -8.187 11.559 1.00 3.53 S ATOM 0 H CYS A 194 -0.078 -7.425 9.678 1.00 61.53 H new ATOM 0 HA CYS A 194 -2.221 -9.466 9.539 1.00 40.33 H new ATOM 0 HB2 CYS A 194 -1.634 -8.530 11.779 1.00 13.52 H new ATOM 0 HB3 CYS A 194 -1.996 -6.919 11.192 1.00 13.52 H new ATOM 0 HG CYS A 194 -4.760 -7.881 10.554 1.00 3.53 H new ATOM 795 N CYS A 195 -2.063 -7.106 7.604 1.00 41.41 N ATOM 796 CA CYS A 195 -2.694 -6.259 6.585 1.00 54.22 C ATOM 797 C CYS A 195 -2.402 -6.778 5.169 1.00 32.24 C ATOM 798 O CYS A 195 -1.262 -7.098 4.840 1.00 64.24 O ATOM 799 CB CYS A 195 -2.201 -4.811 6.718 1.00 11.22 C ATOM 800 SG CYS A 195 -2.462 -4.084 8.354 1.00 31.31 S ATOM 0 H CYS A 195 -1.074 -7.294 7.437 1.00 41.41 H new ATOM 0 HA CYS A 195 -3.772 -6.291 6.746 1.00 54.22 H new ATOM 0 HB2 CYS A 195 -1.137 -4.779 6.484 1.00 11.22 H new ATOM 0 HB3 CYS A 195 -2.709 -4.197 5.975 1.00 11.22 H new ATOM 0 HG CYS A 195 -1.521 -4.479 9.159 1.00 31.31 H new ATOM 806 N ALA A 196 -3.436 -6.861 4.337 1.00 43.12 N ATOM 807 CA ALA A 196 -3.286 -7.321 2.949 1.00 73.43 C ATOM 808 C ALA A 196 -3.498 -6.169 1.954 1.00 71.34 C ATOM 809 O ALA A 196 -4.318 -5.283 2.186 1.00 51.12 O ATOM 810 CB ALA A 196 -4.265 -8.457 2.667 1.00 72.20 C ATOM 0 H ALA A 196 -4.392 -6.616 4.595 1.00 43.12 H new ATOM 0 HA ALA A 196 -2.268 -7.688 2.820 1.00 73.43 H new ATOM 0 HB1 ALA A 196 -4.147 -8.792 1.636 1.00 72.20 H new ATOM 0 HB2 ALA A 196 -4.063 -9.287 3.344 1.00 72.20 H new ATOM 0 HB3 ALA A 196 -5.285 -8.104 2.819 1.00 72.20 H new ATOM 816 N VAL A 197 -2.755 -6.181 0.849 1.00 53.22 N ATOM 817 CA VAL A 197 -2.862 -5.131 -0.176 1.00 44.41 C ATOM 818 C VAL A 197 -3.173 -5.722 -1.560 1.00 21.14 C ATOM 819 O VAL A 197 -2.649 -6.772 -1.930 1.00 2.23 O ATOM 820 CB VAL A 197 -1.557 -4.293 -0.264 1.00 32.21 C ATOM 821 CG1 VAL A 197 -1.647 -3.238 -1.368 1.00 20.53 C ATOM 822 CG2 VAL A 197 -1.243 -3.638 1.080 1.00 54.51 C ATOM 0 H VAL A 197 -2.070 -6.905 0.635 1.00 53.22 H new ATOM 0 HA VAL A 197 -3.685 -4.484 0.126 1.00 44.41 H new ATOM 0 HB VAL A 197 -0.743 -4.973 -0.516 1.00 32.21 H new ATOM 0 HG11 VAL A 197 -0.718 -2.669 -1.404 1.00 20.53 H new ATOM 0 HG12 VAL A 197 -1.809 -3.729 -2.328 1.00 20.53 H new ATOM 0 HG13 VAL A 197 -2.478 -2.564 -1.160 1.00 20.53 H new ATOM 0 HG21 VAL A 197 -0.325 -3.056 0.996 1.00 54.51 H new ATOM 0 HG22 VAL A 197 -2.064 -2.981 1.365 1.00 54.51 H new ATOM 0 HG23 VAL A 197 -1.115 -4.409 1.840 1.00 54.51 H new ATOM 832 N TYR A 198 -4.035 -5.043 -2.317 1.00 13.03 N ATOM 833 CA TYR A 198 -4.349 -5.450 -3.692 1.00 2.31 C ATOM 834 C TYR A 198 -4.634 -4.240 -4.594 1.00 52.20 C ATOM 835 O TYR A 198 -4.969 -3.152 -4.117 1.00 41.43 O ATOM 836 CB TYR A 198 -5.547 -6.417 -3.715 1.00 72.45 C ATOM 837 CG TYR A 198 -6.829 -5.840 -3.134 1.00 33.30 C ATOM 838 CD1 TYR A 198 -7.735 -5.142 -3.931 1.00 11.33 C ATOM 839 CD2 TYR A 198 -7.132 -5.996 -1.788 1.00 20.22 C ATOM 840 CE1 TYR A 198 -8.902 -4.623 -3.400 1.00 22.43 C ATOM 841 CE2 TYR A 198 -8.296 -5.481 -1.254 1.00 14.24 C ATOM 842 CZ TYR A 198 -9.175 -4.794 -2.060 1.00 35.42 C ATOM 843 OH TYR A 198 -10.335 -4.278 -1.522 1.00 70.13 O ATOM 0 H TYR A 198 -4.530 -4.208 -2.004 1.00 13.03 H new ATOM 0 HA TYR A 198 -3.470 -5.962 -4.084 1.00 2.31 H new ATOM 0 HB2 TYR A 198 -5.734 -6.721 -4.745 1.00 72.45 H new ATOM 0 HB3 TYR A 198 -5.283 -7.317 -3.160 1.00 72.45 H new ATOM 0 HD1 TYR A 198 -7.522 -5.004 -4.981 1.00 11.33 H new ATOM 0 HD2 TYR A 198 -6.445 -6.530 -1.148 1.00 20.22 H new ATOM 0 HE1 TYR A 198 -9.595 -4.087 -4.032 1.00 22.43 H new ATOM 0 HE2 TYR A 198 -8.517 -5.617 -0.206 1.00 14.24 H new ATOM 0 HH TYR A 198 -10.389 -4.516 -0.573 1.00 70.13 H new ATOM 853 N ARG A 199 -4.493 -4.446 -5.901 1.00 53.41 N ATOM 854 CA ARG A 199 -4.804 -3.419 -6.900 1.00 51.32 C ATOM 855 C ARG A 199 -5.852 -3.939 -7.894 1.00 62.54 C ATOM 856 O ARG A 199 -6.058 -5.149 -8.018 1.00 24.21 O ATOM 857 CB ARG A 199 -3.534 -3.001 -7.659 1.00 2.12 C ATOM 858 CG ARG A 199 -2.856 -4.151 -8.405 1.00 74.03 C ATOM 859 CD ARG A 199 -1.689 -3.668 -9.260 1.00 64.03 C ATOM 860 NE ARG A 199 -2.121 -2.720 -10.283 1.00 12.33 N ATOM 861 CZ ARG A 199 -2.328 -3.026 -11.535 1.00 34.24 C ATOM 862 NH1 ARG A 199 -2.142 -4.236 -11.960 1.00 74.53 N ATOM 863 NH2 ARG A 199 -2.718 -2.108 -12.354 1.00 1.23 N ATOM 0 H ARG A 199 -4.162 -5.325 -6.299 1.00 53.41 H new ATOM 0 HA ARG A 199 -5.207 -2.550 -6.379 1.00 51.32 H new ATOM 0 HB2 ARG A 199 -3.789 -2.218 -8.372 1.00 2.12 H new ATOM 0 HB3 ARG A 199 -2.825 -2.570 -6.952 1.00 2.12 H new ATOM 0 HG2 ARG A 199 -2.498 -4.888 -7.686 1.00 74.03 H new ATOM 0 HG3 ARG A 199 -3.587 -4.653 -9.039 1.00 74.03 H new ATOM 0 HD2 ARG A 199 -0.941 -3.198 -8.622 1.00 64.03 H new ATOM 0 HD3 ARG A 199 -1.209 -4.523 -9.736 1.00 64.03 H new ATOM 0 HE ARG A 199 -2.271 -1.752 -10.000 1.00 12.33 H new ATOM 0 HH11 ARG A 199 -1.831 -4.961 -11.314 1.00 74.53 H new ATOM 0 HH12 ARG A 199 -2.307 -4.463 -12.941 1.00 74.53 H new ATOM 0 HH21 ARG A 199 -2.861 -1.155 -12.021 1.00 1.23 H new ATOM 0 HH22 ARG A 199 -2.883 -2.336 -13.334 1.00 1.23 H new ATOM 877 N ILE A 200 -6.509 -3.025 -8.604 1.00 44.10 N ATOM 878 CA ILE A 200 -7.526 -3.401 -9.591 1.00 51.43 C ATOM 879 C ILE A 200 -6.998 -3.258 -11.028 1.00 14.34 C ATOM 880 O ILE A 200 -6.696 -2.155 -11.490 1.00 73.35 O ATOM 881 CB ILE A 200 -8.813 -2.557 -9.418 1.00 5.13 C ATOM 882 CG1 ILE A 200 -9.386 -2.752 -8.001 1.00 74.04 C ATOM 883 CG2 ILE A 200 -9.851 -2.924 -10.482 1.00 11.20 C ATOM 884 CD1 ILE A 200 -10.663 -1.979 -7.739 1.00 31.43 C ATOM 0 H ILE A 200 -6.358 -2.020 -8.517 1.00 44.10 H new ATOM 0 HA ILE A 200 -7.767 -4.449 -9.416 1.00 51.43 H new ATOM 0 HB ILE A 200 -8.560 -1.505 -9.548 1.00 5.13 H new ATOM 0 HG12 ILE A 200 -9.577 -3.813 -7.841 1.00 74.04 H new ATOM 0 HG13 ILE A 200 -8.634 -2.449 -7.272 1.00 74.04 H new ATOM 0 HG21 ILE A 200 -10.746 -2.319 -10.341 1.00 11.20 H new ATOM 0 HG22 ILE A 200 -9.438 -2.736 -11.473 1.00 11.20 H new ATOM 0 HG23 ILE A 200 -10.108 -3.979 -10.391 1.00 11.20 H new ATOM 0 HD11 ILE A 200 -11.001 -2.170 -6.721 1.00 31.43 H new ATOM 0 HD12 ILE A 200 -10.475 -0.913 -7.865 1.00 31.43 H new ATOM 0 HD13 ILE A 200 -11.432 -2.298 -8.443 1.00 31.43 H new ATOM 896 N GLN A 201 -6.882 -4.392 -11.717 1.00 72.43 N ATOM 897 CA GLN A 201 -6.428 -4.435 -13.112 1.00 21.41 C ATOM 898 C GLN A 201 -7.473 -5.145 -13.989 1.00 42.15 C ATOM 899 O GLN A 201 -7.801 -6.309 -13.749 1.00 41.21 O ATOM 900 CB GLN A 201 -5.085 -5.176 -13.204 1.00 41.20 C ATOM 901 CG GLN A 201 -4.466 -5.177 -14.604 1.00 42.13 C ATOM 902 CD GLN A 201 -3.822 -3.850 -14.986 1.00 24.32 C ATOM 903 OE1 GLN A 201 -4.232 -2.783 -14.542 1.00 62.25 O ATOM 904 NE2 GLN A 201 -2.800 -3.904 -15.812 1.00 71.12 N ATOM 0 H GLN A 201 -7.099 -5.309 -11.327 1.00 72.43 H new ATOM 0 HA GLN A 201 -6.300 -3.413 -13.470 1.00 21.41 H new ATOM 0 HB2 GLN A 201 -4.382 -4.719 -12.508 1.00 41.20 H new ATOM 0 HB3 GLN A 201 -5.228 -6.207 -12.881 1.00 41.20 H new ATOM 0 HG2 GLN A 201 -3.715 -5.965 -14.660 1.00 42.13 H new ATOM 0 HG3 GLN A 201 -5.238 -5.420 -15.334 1.00 42.13 H new ATOM 0 HE21 GLN A 201 -2.478 -4.804 -16.167 1.00 71.12 H new ATOM 0 HE22 GLN A 201 -2.329 -3.045 -16.097 1.00 71.12 H new ATOM 913 N ASP A 202 -8.007 -4.435 -14.984 1.00 60.21 N ATOM 914 CA ASP A 202 -9.058 -4.977 -15.858 1.00 62.41 C ATOM 915 C ASP A 202 -10.283 -5.432 -15.041 1.00 74.34 C ATOM 916 O ASP A 202 -10.983 -6.375 -15.413 1.00 21.34 O ATOM 917 CB ASP A 202 -8.509 -6.132 -16.712 1.00 22.32 C ATOM 918 CG ASP A 202 -7.489 -5.656 -17.732 1.00 2.10 C ATOM 919 OD1 ASP A 202 -7.899 -5.248 -18.841 1.00 2.13 O ATOM 920 OD2 ASP A 202 -6.275 -5.674 -17.430 1.00 61.44 O ATOM 0 H ASP A 202 -7.730 -3.479 -15.208 1.00 60.21 H new ATOM 0 HA ASP A 202 -9.383 -4.180 -16.527 1.00 62.41 H new ATOM 0 HB2 ASP A 202 -8.050 -6.876 -16.061 1.00 22.32 H new ATOM 0 HB3 ASP A 202 -9.334 -6.624 -17.228 1.00 22.32 H new ATOM 925 N GLY A 203 -10.539 -4.742 -13.927 1.00 52.30 N ATOM 926 CA GLY A 203 -11.682 -5.070 -13.079 1.00 21.24 C ATOM 927 C GLY A 203 -11.397 -6.178 -12.064 1.00 22.32 C ATOM 928 O GLY A 203 -12.255 -6.514 -11.247 1.00 73.53 O ATOM 0 H GLY A 203 -9.975 -3.960 -13.595 1.00 52.30 H new ATOM 0 HA2 GLY A 203 -11.997 -4.173 -12.546 1.00 21.24 H new ATOM 0 HA3 GLY A 203 -12.516 -5.374 -13.711 1.00 21.24 H new ATOM 932 N GLU A 204 -10.192 -6.746 -12.107 1.00 14.43 N ATOM 933 CA GLU A 204 -9.811 -7.838 -11.201 1.00 4.53 C ATOM 934 C GLU A 204 -8.924 -7.347 -10.044 1.00 72.30 C ATOM 935 O GLU A 204 -8.024 -6.528 -10.236 1.00 60.11 O ATOM 936 CB GLU A 204 -9.078 -8.938 -11.978 1.00 31.03 C ATOM 937 CG GLU A 204 -9.925 -9.604 -13.055 1.00 32.14 C ATOM 938 CD GLU A 204 -9.162 -10.673 -13.818 1.00 23.11 C ATOM 939 OE1 GLU A 204 -8.845 -11.727 -13.219 1.00 33.12 O ATOM 940 OE2 GLU A 204 -8.884 -10.476 -15.018 1.00 64.23 O ATOM 0 H GLU A 204 -9.459 -6.470 -12.760 1.00 14.43 H new ATOM 0 HA GLU A 204 -10.730 -8.237 -10.772 1.00 4.53 H new ATOM 0 HB2 GLU A 204 -8.189 -8.510 -12.442 1.00 31.03 H new ATOM 0 HB3 GLU A 204 -8.737 -9.699 -11.276 1.00 31.03 H new ATOM 0 HG2 GLU A 204 -10.807 -10.050 -12.595 1.00 32.14 H new ATOM 0 HG3 GLU A 204 -10.279 -8.846 -13.754 1.00 32.14 H new ATOM 947 N LYS A 205 -9.182 -7.867 -8.845 1.00 23.24 N ATOM 948 CA LYS A 205 -8.394 -7.528 -7.654 1.00 44.15 C ATOM 949 C LYS A 205 -7.195 -8.478 -7.502 1.00 43.23 C ATOM 950 O LYS A 205 -7.353 -9.634 -7.099 1.00 44.43 O ATOM 951 CB LYS A 205 -9.277 -7.603 -6.400 1.00 2.21 C ATOM 952 CG LYS A 205 -10.474 -6.658 -6.431 1.00 63.01 C ATOM 953 CD LYS A 205 -11.414 -6.897 -5.252 1.00 24.43 C ATOM 954 CE LYS A 205 -12.617 -5.964 -5.286 1.00 65.05 C ATOM 955 NZ LYS A 205 -13.596 -6.293 -4.218 1.00 33.15 N ATOM 0 H LYS A 205 -9.936 -8.530 -8.669 1.00 23.24 H new ATOM 0 HA LYS A 205 -8.018 -6.512 -7.772 1.00 44.15 H new ATOM 0 HB2 LYS A 205 -9.636 -8.625 -6.281 1.00 2.21 H new ATOM 0 HB3 LYS A 205 -8.669 -7.375 -5.525 1.00 2.21 H new ATOM 0 HG2 LYS A 205 -10.123 -5.626 -6.413 1.00 63.01 H new ATOM 0 HG3 LYS A 205 -11.020 -6.793 -7.365 1.00 63.01 H new ATOM 0 HD2 LYS A 205 -11.757 -7.932 -5.265 1.00 24.43 H new ATOM 0 HD3 LYS A 205 -10.869 -6.753 -4.319 1.00 24.43 H new ATOM 0 HE2 LYS A 205 -12.282 -4.933 -5.168 1.00 65.05 H new ATOM 0 HE3 LYS A 205 -13.103 -6.032 -6.259 1.00 65.05 H new ATOM 0 HZ1 LYS A 205 -14.402 -5.638 -4.272 1.00 33.15 H new ATOM 0 HZ2 LYS A 205 -13.934 -7.268 -4.345 1.00 33.15 H new ATOM 0 HZ3 LYS A 205 -13.139 -6.204 -3.288 1.00 33.15 H new ATOM 969 N LYS A 206 -6.004 -7.999 -7.846 1.00 5.02 N ATOM 970 CA LYS A 206 -4.782 -8.813 -7.742 1.00 33.30 C ATOM 971 C LYS A 206 -3.930 -8.404 -6.524 1.00 15.51 C ATOM 972 O LYS A 206 -3.606 -7.226 -6.349 1.00 63.44 O ATOM 973 CB LYS A 206 -3.955 -8.709 -9.034 1.00 52.14 C ATOM 974 CG LYS A 206 -4.578 -9.430 -10.233 1.00 61.22 C ATOM 975 CD LYS A 206 -4.699 -10.936 -9.991 1.00 51.34 C ATOM 976 CE LYS A 206 -5.260 -11.677 -11.205 1.00 72.00 C ATOM 977 NZ LYS A 206 -6.623 -11.206 -11.572 1.00 44.13 N ATOM 0 H LYS A 206 -5.851 -7.054 -8.199 1.00 5.02 H new ATOM 0 HA LYS A 206 -5.087 -9.850 -7.600 1.00 33.30 H new ATOM 0 HB2 LYS A 206 -3.823 -7.656 -9.285 1.00 52.14 H new ATOM 0 HB3 LYS A 206 -2.962 -9.120 -8.852 1.00 52.14 H new ATOM 0 HG2 LYS A 206 -5.565 -9.014 -10.434 1.00 61.22 H new ATOM 0 HG3 LYS A 206 -3.970 -9.252 -11.120 1.00 61.22 H new ATOM 0 HD2 LYS A 206 -3.718 -11.341 -9.742 1.00 51.34 H new ATOM 0 HD3 LYS A 206 -5.344 -11.113 -9.131 1.00 51.34 H new ATOM 0 HE2 LYS A 206 -4.590 -11.540 -12.054 1.00 72.00 H new ATOM 0 HE3 LYS A 206 -5.292 -12.746 -10.993 1.00 72.00 H new ATOM 0 HZ1 LYS A 206 -7.030 -11.844 -12.285 1.00 44.13 H new ATOM 0 HZ2 LYS A 206 -7.228 -11.201 -10.726 1.00 44.13 H new ATOM 0 HZ3 LYS A 206 -6.565 -10.243 -11.961 1.00 44.13 H new ATOM 991 N PRO A 207 -3.557 -9.383 -5.663 1.00 34.31 N ATOM 992 CA PRO A 207 -2.780 -9.125 -4.429 1.00 54.41 C ATOM 993 C PRO A 207 -1.352 -8.611 -4.691 1.00 33.12 C ATOM 994 O PRO A 207 -0.745 -8.906 -5.724 1.00 51.11 O ATOM 995 CB PRO A 207 -2.736 -10.499 -3.729 1.00 33.11 C ATOM 996 CG PRO A 207 -3.804 -11.310 -4.390 1.00 52.54 C ATOM 997 CD PRO A 207 -3.869 -10.816 -5.808 1.00 45.22 C ATOM 0 HA PRO A 207 -3.245 -8.337 -3.837 1.00 54.41 H new ATOM 0 HB2 PRO A 207 -1.759 -10.968 -3.843 1.00 33.11 H new ATOM 0 HB3 PRO A 207 -2.921 -10.402 -2.659 1.00 33.11 H new ATOM 0 HG2 PRO A 207 -3.566 -12.373 -4.356 1.00 52.54 H new ATOM 0 HG3 PRO A 207 -4.762 -11.181 -3.886 1.00 52.54 H new ATOM 0 HD2 PRO A 207 -3.149 -11.325 -6.448 1.00 45.22 H new ATOM 0 HD3 PRO A 207 -4.854 -10.974 -6.248 1.00 45.22 H new ATOM 1005 N ILE A 208 -0.821 -7.845 -3.738 1.00 70.23 N ATOM 1006 CA ILE A 208 0.521 -7.262 -3.849 1.00 70.12 C ATOM 1007 C ILE A 208 1.351 -7.544 -2.585 1.00 31.13 C ATOM 1008 O ILE A 208 0.844 -7.464 -1.466 1.00 73.54 O ATOM 1009 CB ILE A 208 0.443 -5.728 -4.068 1.00 61.02 C ATOM 1010 CG1 ILE A 208 -0.354 -5.407 -5.343 1.00 45.11 C ATOM 1011 CG2 ILE A 208 1.843 -5.107 -4.129 1.00 10.42 C ATOM 1012 CD1 ILE A 208 -0.537 -3.925 -5.588 1.00 24.21 C ATOM 0 H ILE A 208 -1.304 -7.611 -2.871 1.00 70.23 H new ATOM 0 HA ILE A 208 1.004 -7.726 -4.709 1.00 70.12 H new ATOM 0 HB ILE A 208 -0.078 -5.290 -3.217 1.00 61.02 H new ATOM 0 HG12 ILE A 208 0.155 -5.848 -6.200 1.00 45.11 H new ATOM 0 HG13 ILE A 208 -1.334 -5.879 -5.277 1.00 45.11 H new ATOM 0 HG21 ILE A 208 1.758 -4.031 -4.283 1.00 10.42 H new ATOM 0 HG22 ILE A 208 2.367 -5.299 -3.193 1.00 10.42 H new ATOM 0 HG23 ILE A 208 2.401 -5.549 -4.954 1.00 10.42 H new ATOM 0 HD11 ILE A 208 -1.108 -3.775 -6.504 1.00 24.21 H new ATOM 0 HD12 ILE A 208 -1.074 -3.481 -4.749 1.00 24.21 H new ATOM 0 HD13 ILE A 208 0.439 -3.449 -5.687 1.00 24.21 H new ATOM 1024 N GLY A 209 2.625 -7.879 -2.772 1.00 23.42 N ATOM 1025 CA GLY A 209 3.513 -8.125 -1.640 1.00 43.31 C ATOM 1026 C GLY A 209 4.123 -6.842 -1.071 1.00 2.31 C ATOM 1027 O GLY A 209 4.608 -5.992 -1.821 1.00 1.15 O ATOM 0 H GLY A 209 3.062 -7.986 -3.687 1.00 23.42 H new ATOM 0 HA2 GLY A 209 2.958 -8.637 -0.854 1.00 43.31 H new ATOM 0 HA3 GLY A 209 4.314 -8.795 -1.952 1.00 43.31 H new ATOM 1031 N TRP A 210 4.114 -6.710 0.257 1.00 61.13 N ATOM 1032 CA TRP A 210 4.653 -5.522 0.935 1.00 21.22 C ATOM 1033 C TRP A 210 6.126 -5.268 0.582 1.00 34.23 C ATOM 1034 O TRP A 210 6.586 -4.127 0.557 1.00 41.51 O ATOM 1035 CB TRP A 210 4.520 -5.684 2.455 1.00 21.13 C ATOM 1036 CG TRP A 210 3.111 -5.596 2.954 1.00 25.34 C ATOM 1037 CD1 TRP A 210 2.234 -6.625 3.132 1.00 41.10 C ATOM 1038 CD2 TRP A 210 2.421 -4.406 3.340 1.00 2.13 C ATOM 1039 NE1 TRP A 210 1.042 -6.146 3.613 1.00 55.00 N ATOM 1040 CE2 TRP A 210 1.130 -4.785 3.746 1.00 53.04 C ATOM 1041 CE3 TRP A 210 2.771 -3.055 3.381 1.00 54.51 C ATOM 1042 CZ2 TRP A 210 0.190 -3.862 4.196 1.00 33.03 C ATOM 1043 CZ3 TRP A 210 1.838 -2.140 3.824 1.00 1.53 C ATOM 1044 CH2 TRP A 210 0.560 -2.545 4.225 1.00 45.24 C ATOM 0 H TRP A 210 3.737 -7.415 0.891 1.00 61.13 H new ATOM 0 HA TRP A 210 4.074 -4.665 0.592 1.00 21.22 H new ATOM 0 HB2 TRP A 210 4.938 -6.648 2.746 1.00 21.13 H new ATOM 0 HB3 TRP A 210 5.118 -4.916 2.946 1.00 21.13 H new ATOM 0 HD1 TRP A 210 2.446 -7.663 2.925 1.00 41.10 H new ATOM 0 HE1 TRP A 210 0.223 -6.711 3.836 1.00 55.00 H new ATOM 0 HE3 TRP A 210 3.754 -2.732 3.072 1.00 54.51 H new ATOM 0 HZ2 TRP A 210 -0.795 -4.174 4.511 1.00 33.03 H new ATOM 0 HZ3 TRP A 210 2.099 -1.093 3.862 1.00 1.53 H new ATOM 0 HH2 TRP A 210 -0.148 -1.803 4.564 1.00 45.24 H new ATOM 1055 N ASP A 211 6.862 -6.336 0.305 1.00 53.33 N ATOM 1056 CA ASP A 211 8.302 -6.236 0.054 1.00 20.22 C ATOM 1057 C ASP A 211 8.614 -5.944 -1.425 1.00 24.44 C ATOM 1058 O ASP A 211 9.773 -5.960 -1.842 1.00 20.11 O ATOM 1059 CB ASP A 211 8.989 -7.519 0.519 1.00 5.13 C ATOM 1060 CG ASP A 211 8.667 -7.819 1.971 1.00 62.04 C ATOM 1061 OD1 ASP A 211 9.114 -7.057 2.852 1.00 11.24 O ATOM 1062 OD2 ASP A 211 7.936 -8.797 2.239 1.00 5.34 O ATOM 0 H ASP A 211 6.490 -7.284 0.247 1.00 53.33 H new ATOM 0 HA ASP A 211 8.690 -5.392 0.624 1.00 20.22 H new ATOM 0 HB2 ASP A 211 8.670 -8.353 -0.107 1.00 5.13 H new ATOM 0 HB3 ASP A 211 10.068 -7.422 0.396 1.00 5.13 H new ATOM 1067 N THR A 212 7.578 -5.668 -2.214 1.00 42.00 N ATOM 1068 CA THR A 212 7.760 -5.257 -3.611 1.00 72.31 C ATOM 1069 C THR A 212 8.063 -3.757 -3.702 1.00 12.43 C ATOM 1070 O THR A 212 7.494 -2.956 -2.960 1.00 23.05 O ATOM 1071 CB THR A 212 6.512 -5.588 -4.469 1.00 62.25 C ATOM 1072 OG1 THR A 212 6.289 -7.008 -4.474 1.00 54.44 O ATOM 1073 CG2 THR A 212 6.671 -5.097 -5.908 1.00 33.55 C ATOM 0 H THR A 212 6.605 -5.720 -1.914 1.00 42.00 H new ATOM 0 HA THR A 212 8.607 -5.819 -4.004 1.00 72.31 H new ATOM 0 HB THR A 212 5.658 -5.075 -4.026 1.00 62.25 H new ATOM 0 HG1 THR A 212 5.499 -7.213 -5.016 1.00 54.44 H new ATOM 0 HG21 THR A 212 5.777 -5.347 -6.479 1.00 33.55 H new ATOM 0 HG22 THR A 212 6.812 -4.016 -5.910 1.00 33.55 H new ATOM 0 HG23 THR A 212 7.537 -5.577 -6.363 1.00 33.55 H new ATOM 1081 N ASP A 213 8.973 -3.384 -4.598 1.00 72.33 N ATOM 1082 CA ASP A 213 9.343 -1.979 -4.788 1.00 61.11 C ATOM 1083 C ASP A 213 8.128 -1.122 -5.184 1.00 10.45 C ATOM 1084 O ASP A 213 7.424 -1.424 -6.149 1.00 24.25 O ATOM 1085 CB ASP A 213 10.433 -1.867 -5.854 1.00 61.43 C ATOM 1086 CG ASP A 213 11.690 -2.629 -5.477 1.00 12.30 C ATOM 1087 OD1 ASP A 213 11.691 -3.875 -5.578 1.00 64.43 O ATOM 1088 OD2 ASP A 213 12.689 -1.989 -5.094 1.00 43.00 O ATOM 0 H ASP A 213 9.470 -4.034 -5.206 1.00 72.33 H new ATOM 0 HA ASP A 213 9.722 -1.601 -3.838 1.00 61.11 H new ATOM 0 HB2 ASP A 213 10.051 -2.247 -6.802 1.00 61.43 H new ATOM 0 HB3 ASP A 213 10.680 -0.817 -6.008 1.00 61.43 H new ATOM 1093 N ILE A 214 7.905 -0.043 -4.440 1.00 10.11 N ATOM 1094 CA ILE A 214 6.770 0.853 -4.675 1.00 55.14 C ATOM 1095 C ILE A 214 6.813 1.476 -6.089 1.00 31.51 C ATOM 1096 O ILE A 214 5.790 1.898 -6.628 1.00 63.31 O ATOM 1097 CB ILE A 214 6.728 1.968 -3.594 1.00 72.02 C ATOM 1098 CG1 ILE A 214 5.475 2.844 -3.759 1.00 40.54 C ATOM 1099 CG2 ILE A 214 7.997 2.821 -3.641 1.00 42.12 C ATOM 1100 CD1 ILE A 214 5.351 3.948 -2.731 1.00 75.33 C ATOM 0 H ILE A 214 8.500 0.237 -3.661 1.00 10.11 H new ATOM 0 HA ILE A 214 5.861 0.256 -4.606 1.00 55.14 H new ATOM 0 HB ILE A 214 6.679 1.488 -2.617 1.00 72.02 H new ATOM 0 HG12 ILE A 214 5.485 3.289 -4.754 1.00 40.54 H new ATOM 0 HG13 ILE A 214 4.591 2.209 -3.702 1.00 40.54 H new ATOM 0 HG21 ILE A 214 7.944 3.595 -2.875 1.00 42.12 H new ATOM 0 HG22 ILE A 214 8.867 2.190 -3.459 1.00 42.12 H new ATOM 0 HG23 ILE A 214 8.086 3.287 -4.622 1.00 42.12 H new ATOM 0 HD11 ILE A 214 4.441 4.519 -2.918 1.00 75.33 H new ATOM 0 HD12 ILE A 214 5.307 3.512 -1.733 1.00 75.33 H new ATOM 0 HD13 ILE A 214 6.215 4.609 -2.801 1.00 75.33 H new ATOM 1112 N SER A 215 8.001 1.501 -6.697 1.00 62.13 N ATOM 1113 CA SER A 215 8.166 2.011 -8.068 1.00 63.11 C ATOM 1114 C SER A 215 7.338 1.202 -9.078 1.00 43.52 C ATOM 1115 O SER A 215 6.931 1.720 -10.119 1.00 1.22 O ATOM 1116 CB SER A 215 9.644 1.980 -8.476 1.00 34.22 C ATOM 1117 OG SER A 215 10.172 0.665 -8.398 1.00 74.45 O ATOM 0 H SER A 215 8.866 1.175 -6.265 1.00 62.13 H new ATOM 0 HA SER A 215 7.806 3.040 -8.077 1.00 63.11 H new ATOM 0 HB2 SER A 215 9.751 2.358 -9.493 1.00 34.22 H new ATOM 0 HB3 SER A 215 10.217 2.643 -7.828 1.00 34.22 H new ATOM 0 HG SER A 215 11.115 0.675 -8.665 1.00 74.45 H new ATOM 1123 N TRP A 216 7.087 -0.067 -8.765 1.00 62.42 N ATOM 1124 CA TRP A 216 6.267 -0.931 -9.623 1.00 31.11 C ATOM 1125 C TRP A 216 4.787 -0.515 -9.591 1.00 34.41 C ATOM 1126 O TRP A 216 3.998 -0.912 -10.451 1.00 73.10 O ATOM 1127 CB TRP A 216 6.400 -2.395 -9.181 1.00 24.40 C ATOM 1128 CG TRP A 216 7.768 -2.982 -9.404 1.00 41.13 C ATOM 1129 CD1 TRP A 216 8.965 -2.474 -8.983 1.00 64.32 C ATOM 1130 CD2 TRP A 216 8.074 -4.200 -10.093 1.00 70.04 C ATOM 1131 NE1 TRP A 216 9.991 -3.297 -9.375 1.00 71.43 N ATOM 1132 CE2 TRP A 216 9.471 -4.363 -10.055 1.00 23.13 C ATOM 1133 CE3 TRP A 216 7.300 -5.168 -10.738 1.00 12.24 C ATOM 1134 CZ2 TRP A 216 10.109 -5.455 -10.636 1.00 65.11 C ATOM 1135 CZ3 TRP A 216 7.934 -6.251 -11.315 1.00 1.20 C ATOM 1136 CH2 TRP A 216 9.327 -6.386 -11.261 1.00 54.04 C ATOM 0 H TRP A 216 7.438 -0.524 -7.923 1.00 62.42 H new ATOM 0 HA TRP A 216 6.630 -0.823 -10.645 1.00 31.11 H new ATOM 0 HB2 TRP A 216 6.154 -2.467 -8.122 1.00 24.40 H new ATOM 0 HB3 TRP A 216 5.667 -2.994 -9.721 1.00 24.40 H new ATOM 0 HD1 TRP A 216 9.086 -1.558 -8.423 1.00 64.32 H new ATOM 0 HE1 TRP A 216 10.981 -3.139 -9.189 1.00 71.43 H new ATOM 0 HE3 TRP A 216 6.225 -5.071 -10.785 1.00 12.24 H new ATOM 0 HZ2 TRP A 216 11.183 -5.563 -10.595 1.00 65.11 H new ATOM 0 HZ3 TRP A 216 7.346 -7.006 -11.816 1.00 1.20 H new ATOM 0 HH2 TRP A 216 9.793 -7.244 -11.723 1.00 54.04 H new ATOM 1147 N LEU A 217 4.420 0.284 -8.591 1.00 11.42 N ATOM 1148 CA LEU A 217 3.029 0.712 -8.400 1.00 22.24 C ATOM 1149 C LEU A 217 2.854 2.222 -8.640 1.00 52.32 C ATOM 1150 O LEU A 217 1.895 2.828 -8.160 1.00 71.20 O ATOM 1151 CB LEU A 217 2.575 0.353 -6.977 1.00 12.55 C ATOM 1152 CG LEU A 217 2.691 -1.134 -6.606 1.00 64.22 C ATOM 1153 CD1 LEU A 217 2.230 -1.367 -5.169 1.00 31.03 C ATOM 1154 CD2 LEU A 217 1.897 -1.996 -7.587 1.00 1.34 C ATOM 0 H LEU A 217 5.068 0.652 -7.895 1.00 11.42 H new ATOM 0 HA LEU A 217 2.413 0.190 -9.133 1.00 22.24 H new ATOM 0 HB2 LEU A 217 3.164 0.934 -6.268 1.00 12.55 H new ATOM 0 HB3 LEU A 217 1.536 0.661 -6.856 1.00 12.55 H new ATOM 0 HG LEU A 217 3.739 -1.427 -6.674 1.00 64.22 H new ATOM 0 HD11 LEU A 217 2.320 -2.426 -4.925 1.00 31.03 H new ATOM 0 HD12 LEU A 217 2.851 -0.784 -4.489 1.00 31.03 H new ATOM 0 HD13 LEU A 217 1.190 -1.058 -5.066 1.00 31.03 H new ATOM 0 HD21 LEU A 217 1.991 -3.045 -7.308 1.00 1.34 H new ATOM 0 HD22 LEU A 217 0.847 -1.706 -7.559 1.00 1.34 H new ATOM 0 HD23 LEU A 217 2.286 -1.852 -8.595 1.00 1.34 H new ATOM 1166 N THR A 218 3.773 2.819 -9.397 1.00 50.41 N ATOM 1167 CA THR A 218 3.719 4.260 -9.701 1.00 75.45 C ATOM 1168 C THR A 218 2.390 4.657 -10.369 1.00 72.24 C ATOM 1169 O THR A 218 2.144 4.329 -11.532 1.00 2.00 O ATOM 1170 CB THR A 218 4.889 4.695 -10.626 1.00 42.01 C ATOM 1171 OG1 THR A 218 6.152 4.370 -10.020 1.00 61.34 O ATOM 1172 CG2 THR A 218 4.839 6.194 -10.918 1.00 30.22 C ATOM 0 H THR A 218 4.567 2.333 -9.814 1.00 50.41 H new ATOM 0 HA THR A 218 3.805 4.772 -8.743 1.00 75.45 H new ATOM 0 HB THR A 218 4.784 4.154 -11.566 1.00 42.01 H new ATOM 0 HG1 THR A 218 6.345 3.419 -10.155 1.00 61.34 H new ATOM 0 HG21 THR A 218 5.671 6.466 -11.568 1.00 30.22 H new ATOM 0 HG22 THR A 218 3.898 6.437 -11.412 1.00 30.22 H new ATOM 0 HG23 THR A 218 4.912 6.749 -9.983 1.00 30.22 H new ATOM 1180 N GLY A 219 1.540 5.366 -9.628 1.00 50.20 N ATOM 1181 CA GLY A 219 0.250 5.799 -10.162 1.00 21.31 C ATOM 1182 C GLY A 219 -0.896 4.816 -9.900 1.00 23.34 C ATOM 1183 O GLY A 219 -1.982 4.959 -10.469 1.00 42.35 O ATOM 0 H GLY A 219 1.719 5.651 -8.665 1.00 50.20 H new ATOM 0 HA2 GLY A 219 -0.006 6.764 -9.726 1.00 21.31 H new ATOM 0 HA3 GLY A 219 0.346 5.951 -11.237 1.00 21.31 H new ATOM 1187 N GLU A 220 -0.665 3.821 -9.046 1.00 55.31 N ATOM 1188 CA GLU A 220 -1.709 2.846 -8.691 1.00 54.24 C ATOM 1189 C GLU A 220 -2.461 3.260 -7.414 1.00 25.14 C ATOM 1190 O GLU A 220 -1.911 3.946 -6.547 1.00 34.01 O ATOM 1191 CB GLU A 220 -1.100 1.446 -8.493 1.00 65.41 C ATOM 1192 CG GLU A 220 -0.473 0.845 -9.751 1.00 65.23 C ATOM 1193 CD GLU A 220 -1.464 0.665 -10.894 1.00 51.41 C ATOM 1194 OE1 GLU A 220 -2.524 0.039 -10.682 1.00 44.20 O ATOM 1195 OE2 GLU A 220 -1.177 1.125 -12.018 1.00 55.24 O ATOM 0 H GLU A 220 0.231 3.664 -8.585 1.00 55.31 H new ATOM 0 HA GLU A 220 -2.419 2.821 -9.518 1.00 54.24 H new ATOM 0 HB2 GLU A 220 -0.340 1.501 -7.714 1.00 65.41 H new ATOM 0 HB3 GLU A 220 -1.878 0.773 -8.132 1.00 65.41 H new ATOM 0 HG2 GLU A 220 0.342 1.488 -10.084 1.00 65.23 H new ATOM 0 HG3 GLU A 220 -0.036 -0.122 -9.503 1.00 65.23 H new ATOM 1202 N GLU A 221 -3.725 2.852 -7.312 1.00 52.05 N ATOM 1203 CA GLU A 221 -4.508 3.047 -6.086 1.00 50.43 C ATOM 1204 C GLU A 221 -4.664 1.718 -5.324 1.00 13.02 C ATOM 1205 O GLU A 221 -5.309 0.782 -5.802 1.00 35.55 O ATOM 1206 CB GLU A 221 -5.888 3.639 -6.412 1.00 51.25 C ATOM 1207 CG GLU A 221 -5.830 5.065 -6.957 1.00 54.45 C ATOM 1208 CD GLU A 221 -7.208 5.660 -7.217 1.00 64.12 C ATOM 1209 OE1 GLU A 221 -7.820 6.202 -6.270 1.00 12.31 O ATOM 1210 OE2 GLU A 221 -7.682 5.593 -8.371 1.00 12.03 O ATOM 0 H GLU A 221 -4.232 2.383 -8.063 1.00 52.05 H new ATOM 0 HA GLU A 221 -3.971 3.750 -5.449 1.00 50.43 H new ATOM 0 HB2 GLU A 221 -6.385 3.000 -7.142 1.00 51.25 H new ATOM 0 HB3 GLU A 221 -6.501 3.628 -5.510 1.00 51.25 H new ATOM 0 HG2 GLU A 221 -5.295 5.697 -6.248 1.00 54.45 H new ATOM 0 HG3 GLU A 221 -5.257 5.071 -7.884 1.00 54.45 H new ATOM 1217 N LEU A 222 -4.072 1.647 -4.135 1.00 2.22 N ATOM 1218 CA LEU A 222 -4.065 0.416 -3.336 1.00 25.33 C ATOM 1219 C LEU A 222 -5.171 0.423 -2.269 1.00 22.33 C ATOM 1220 O LEU A 222 -5.570 1.475 -1.776 1.00 41.24 O ATOM 1221 CB LEU A 222 -2.698 0.245 -2.659 1.00 10.01 C ATOM 1222 CG LEU A 222 -1.482 0.301 -3.601 1.00 31.51 C ATOM 1223 CD1 LEU A 222 -0.185 0.081 -2.824 1.00 43.23 C ATOM 1224 CD2 LEU A 222 -1.623 -0.718 -4.732 1.00 20.54 C ATOM 0 H LEU A 222 -3.587 2.430 -3.698 1.00 2.22 H new ATOM 0 HA LEU A 222 -4.255 -0.419 -4.010 1.00 25.33 H new ATOM 0 HB2 LEU A 222 -2.586 1.022 -1.903 1.00 10.01 H new ATOM 0 HB3 LEU A 222 -2.688 -0.712 -2.137 1.00 10.01 H new ATOM 0 HG LEU A 222 -1.443 1.294 -4.048 1.00 31.51 H new ATOM 0 HD11 LEU A 222 0.662 0.125 -3.509 1.00 43.23 H new ATOM 0 HD12 LEU A 222 -0.079 0.857 -2.066 1.00 43.23 H new ATOM 0 HD13 LEU A 222 -0.211 -0.896 -2.341 1.00 43.23 H new ATOM 0 HD21 LEU A 222 -0.752 -0.660 -5.385 1.00 20.54 H new ATOM 0 HD22 LEU A 222 -1.695 -1.721 -4.311 1.00 20.54 H new ATOM 0 HD23 LEU A 222 -2.523 -0.501 -5.307 1.00 20.54 H new ATOM 1236 N HIS A 223 -5.665 -0.761 -1.915 1.00 5.24 N ATOM 1237 CA HIS A 223 -6.669 -0.900 -0.851 1.00 1.41 C ATOM 1238 C HIS A 223 -6.212 -1.939 0.187 1.00 52.54 C ATOM 1239 O HIS A 223 -5.850 -3.062 -0.169 1.00 2.12 O ATOM 1240 CB HIS A 223 -8.025 -1.299 -1.451 1.00 41.30 C ATOM 1241 CG HIS A 223 -8.572 -0.304 -2.434 1.00 60.44 C ATOM 1242 ND1 HIS A 223 -9.411 0.723 -2.069 1.00 23.21 N ATOM 1243 CD2 HIS A 223 -8.408 -0.189 -3.777 1.00 35.33 C ATOM 1244 CE1 HIS A 223 -9.741 1.424 -3.133 1.00 1.24 C ATOM 1245 NE2 HIS A 223 -9.148 0.893 -4.181 1.00 12.25 N ATOM 0 H HIS A 223 -5.389 -1.642 -2.348 1.00 5.24 H new ATOM 0 HA HIS A 223 -6.780 0.061 -0.348 1.00 1.41 H new ATOM 0 HB2 HIS A 223 -7.922 -2.265 -1.946 1.00 41.30 H new ATOM 0 HB3 HIS A 223 -8.745 -1.430 -0.643 1.00 41.30 H new ATOM 0 HD2 HIS A 223 -7.808 -0.828 -4.408 1.00 35.33 H new ATOM 0 HE1 HIS A 223 -10.389 2.288 -3.144 1.00 1.24 H new ATOM 0 HE2 HIS A 223 -9.226 1.232 -5.140 1.00 12.25 H new ATOM 1254 N VAL A 224 -6.216 -1.554 1.464 1.00 73.55 N ATOM 1255 CA VAL A 224 -5.723 -2.424 2.542 1.00 71.42 C ATOM 1256 C VAL A 224 -6.860 -3.192 3.243 1.00 43.22 C ATOM 1257 O VAL A 224 -7.926 -2.634 3.524 1.00 30.34 O ATOM 1258 CB VAL A 224 -4.945 -1.601 3.598 1.00 71.33 C ATOM 1259 CG1 VAL A 224 -4.383 -2.502 4.698 1.00 61.42 C ATOM 1260 CG2 VAL A 224 -3.830 -0.794 2.934 1.00 34.52 C ATOM 0 H VAL A 224 -6.555 -0.646 1.781 1.00 73.55 H new ATOM 0 HA VAL A 224 -5.059 -3.150 2.073 1.00 71.42 H new ATOM 0 HB VAL A 224 -5.643 -0.905 4.064 1.00 71.33 H new ATOM 0 HG11 VAL A 224 -3.842 -1.895 5.424 1.00 61.42 H new ATOM 0 HG12 VAL A 224 -5.201 -3.021 5.197 1.00 61.42 H new ATOM 0 HG13 VAL A 224 -3.704 -3.233 4.258 1.00 61.42 H new ATOM 0 HG21 VAL A 224 -3.294 -0.222 3.692 1.00 34.52 H new ATOM 0 HG22 VAL A 224 -3.138 -1.472 2.434 1.00 34.52 H new ATOM 0 HG23 VAL A 224 -4.261 -0.112 2.202 1.00 34.52 H new ATOM 1270 N GLU A 225 -6.619 -4.475 3.516 1.00 2.10 N ATOM 1271 CA GLU A 225 -7.558 -5.320 4.268 1.00 12.23 C ATOM 1272 C GLU A 225 -6.962 -5.736 5.623 1.00 64.21 C ATOM 1273 O GLU A 225 -5.760 -5.979 5.730 1.00 10.02 O ATOM 1274 CB GLU A 225 -7.900 -6.586 3.465 1.00 31.42 C ATOM 1275 CG GLU A 225 -8.580 -6.323 2.125 1.00 13.35 C ATOM 1276 CD GLU A 225 -9.955 -5.678 2.250 1.00 70.42 C ATOM 1277 OE1 GLU A 225 -10.626 -5.877 3.287 1.00 10.42 O ATOM 1278 OE2 GLU A 225 -10.381 -4.988 1.299 1.00 33.13 O ATOM 0 H GLU A 225 -5.770 -4.960 3.224 1.00 2.10 H new ATOM 0 HA GLU A 225 -8.462 -4.736 4.440 1.00 12.23 H new ATOM 0 HB2 GLU A 225 -6.982 -7.147 3.288 1.00 31.42 H new ATOM 0 HB3 GLU A 225 -8.550 -7.219 4.069 1.00 31.42 H new ATOM 0 HG2 GLU A 225 -7.940 -5.678 1.523 1.00 13.35 H new ATOM 0 HG3 GLU A 225 -8.679 -7.266 1.587 1.00 13.35 H new ATOM 1285 N VAL A 226 -7.801 -5.827 6.650 1.00 10.22 N ATOM 1286 CA VAL A 226 -7.351 -6.268 7.976 1.00 72.14 C ATOM 1287 C VAL A 226 -7.571 -7.782 8.157 1.00 12.11 C ATOM 1288 O VAL A 226 -8.709 -8.256 8.139 1.00 24.12 O ATOM 1289 CB VAL A 226 -8.091 -5.502 9.102 1.00 32.53 C ATOM 1290 CG1 VAL A 226 -7.541 -5.885 10.474 1.00 74.33 C ATOM 1291 CG2 VAL A 226 -8.002 -3.993 8.882 1.00 4.11 C ATOM 0 H VAL A 226 -8.795 -5.603 6.595 1.00 10.22 H new ATOM 0 HA VAL A 226 -6.285 -6.052 8.044 1.00 72.14 H new ATOM 0 HB VAL A 226 -9.143 -5.787 9.069 1.00 32.53 H new ATOM 0 HG11 VAL A 226 -8.076 -5.334 11.247 1.00 74.33 H new ATOM 0 HG12 VAL A 226 -7.673 -6.955 10.633 1.00 74.33 H new ATOM 0 HG13 VAL A 226 -6.480 -5.639 10.522 1.00 74.33 H new ATOM 0 HG21 VAL A 226 -8.529 -3.477 9.685 1.00 4.11 H new ATOM 0 HG22 VAL A 226 -6.956 -3.687 8.879 1.00 4.11 H new ATOM 0 HG23 VAL A 226 -8.458 -3.737 7.926 1.00 4.11 H new ATOM 1301 N LEU A 227 -6.482 -8.534 8.323 1.00 42.13 N ATOM 1302 CA LEU A 227 -6.559 -9.995 8.486 1.00 43.21 C ATOM 1303 C LEU A 227 -7.163 -10.383 9.848 1.00 63.03 C ATOM 1304 O LEU A 227 -8.049 -11.239 9.924 1.00 41.34 O ATOM 1305 CB LEU A 227 -5.164 -10.620 8.317 1.00 23.40 C ATOM 1306 CG LEU A 227 -4.481 -10.334 6.966 1.00 73.14 C ATOM 1307 CD1 LEU A 227 -3.134 -11.045 6.875 1.00 34.43 C ATOM 1308 CD2 LEU A 227 -5.389 -10.739 5.804 1.00 21.52 C ATOM 0 H LEU A 227 -5.534 -8.160 8.349 1.00 42.13 H new ATOM 0 HA LEU A 227 -7.220 -10.384 7.712 1.00 43.21 H new ATOM 0 HB2 LEU A 227 -4.520 -10.255 9.117 1.00 23.40 H new ATOM 0 HB3 LEU A 227 -5.248 -11.699 8.443 1.00 23.40 H new ATOM 0 HG LEU A 227 -4.300 -9.261 6.899 1.00 73.14 H new ATOM 0 HD11 LEU A 227 -2.672 -10.827 5.912 1.00 34.43 H new ATOM 0 HD12 LEU A 227 -2.483 -10.696 7.677 1.00 34.43 H new ATOM 0 HD13 LEU A 227 -3.283 -12.120 6.971 1.00 34.43 H new ATOM 0 HD21 LEU A 227 -4.887 -10.528 4.860 1.00 21.52 H new ATOM 0 HD22 LEU A 227 -5.609 -11.805 5.868 1.00 21.52 H new ATOM 0 HD23 LEU A 227 -6.319 -10.173 5.855 1.00 21.52 H new