USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 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+ -171:sc= 0 (180deg=-0.0463) USER MOD Single : A 163 ASN : amide:sc=-0.00863 K(o=-0.0086,f=-0.96) USER MOD Single : A 164 LYS NZ :NH3+ 171:sc= -0.0327 (180deg=-0.154) USER MOD Single : A 165 GLN : amide:sc= -0.022 K(o=-0.022,f=-0.63) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -91:sc= 1.16 USER MOD Single : A 180 SER OG : rot -140:sc= 0 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -121:sc= 0.817 (180deg=-0.745) USER MOD Single : A 186 MET CE :methyl -144:sc= -0.193 (180deg=-0.779) USER MOD Single : A 187 MET CE :methyl 137:sc= -0.227 (180deg=-0.775) USER MOD Single : A 194 CYS SG : rot -35:sc= 0.263 USER MOD Single : A 195 CYS SG : rot 84:sc= -1.47 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 0.517 K(o=0.52,f=-4.8!) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ 174:sc=-0.00933 (180deg=-0.0996) USER MOD Single : A 212 THR OG1 : rot 87:sc= 0.1 USER MOD Single : A 215 SER OG : rot -109:sc= 0.414 USER MOD Single : A 218 THR OG1 : rot 95:sc= 0.884 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 6.208 15.003 -7.319 1.00 3.41 N ATOM 115 CA LYS A 154 6.956 13.743 -7.251 1.00 44.10 C ATOM 116 C LYS A 154 6.035 12.549 -7.557 1.00 21.14 C ATOM 117 O LYS A 154 4.816 12.645 -7.398 1.00 71.20 O ATOM 118 CB LYS A 154 7.573 13.564 -5.850 1.00 22.15 C ATOM 119 CG LYS A 154 8.757 14.485 -5.555 1.00 10.00 C ATOM 120 CD LYS A 154 9.932 14.220 -6.498 1.00 1.31 C ATOM 121 CE LYS A 154 11.199 14.950 -6.060 1.00 0.44 C ATOM 122 NZ LYS A 154 10.988 16.415 -5.930 1.00 62.11 N ATOM 0 HA LYS A 154 7.751 13.780 -7.996 1.00 44.10 H new ATOM 0 HB2 LYS A 154 6.800 13.737 -5.102 1.00 22.15 H new ATOM 0 HB3 LYS A 154 7.898 12.529 -5.740 1.00 22.15 H new ATOM 0 HG2 LYS A 154 8.442 15.524 -5.650 1.00 10.00 H new ATOM 0 HG3 LYS A 154 9.080 14.343 -4.524 1.00 10.00 H new ATOM 0 HD2 LYS A 154 10.128 13.149 -6.539 1.00 1.31 H new ATOM 0 HD3 LYS A 154 9.664 14.534 -7.507 1.00 1.31 H new ATOM 0 HE2 LYS A 154 11.536 14.547 -5.105 1.00 0.44 H new ATOM 0 HE3 LYS A 154 11.993 14.762 -6.783 1.00 0.44 H new ATOM 0 HZ1 LYS A 154 11.903 16.886 -5.781 1.00 62.11 H new ATOM 0 HZ2 LYS A 154 10.548 16.781 -6.798 1.00 62.11 H new ATOM 0 HZ3 LYS A 154 10.365 16.605 -5.119 1.00 62.11 H new ATOM 136 N PRO A 155 6.595 11.406 -8.004 1.00 54.24 N ATOM 137 CA PRO A 155 5.810 10.174 -8.204 1.00 3.45 C ATOM 138 C PRO A 155 5.203 9.658 -6.885 1.00 3.31 C ATOM 139 O PRO A 155 5.922 9.211 -5.991 1.00 54.12 O ATOM 140 CB PRO A 155 6.841 9.177 -8.767 1.00 42.53 C ATOM 141 CG PRO A 155 8.170 9.723 -8.363 1.00 0.22 C ATOM 142 CD PRO A 155 8.014 11.219 -8.365 1.00 13.13 C ATOM 0 HA PRO A 155 4.957 10.329 -8.865 1.00 3.45 H new ATOM 0 HB2 PRO A 155 6.685 8.177 -8.361 1.00 42.53 H new ATOM 0 HB3 PRO A 155 6.761 9.097 -9.851 1.00 42.53 H new ATOM 0 HG2 PRO A 155 8.458 9.361 -7.376 1.00 0.22 H new ATOM 0 HG3 PRO A 155 8.949 9.410 -9.058 1.00 0.22 H new ATOM 0 HD2 PRO A 155 8.680 11.695 -7.645 1.00 13.13 H new ATOM 0 HD3 PRO A 155 8.242 11.647 -9.341 1.00 13.13 H new ATOM 150 N ILE A 156 3.878 9.736 -6.764 1.00 4.02 N ATOM 151 CA ILE A 156 3.189 9.355 -5.522 1.00 44.30 C ATOM 152 C ILE A 156 2.323 8.097 -5.687 1.00 23.30 C ATOM 153 O ILE A 156 1.979 7.698 -6.800 1.00 4.43 O ATOM 154 CB ILE A 156 2.279 10.502 -5.007 1.00 4.10 C ATOM 155 CG1 ILE A 156 1.190 10.837 -6.047 1.00 50.14 C ATOM 156 CG2 ILE A 156 3.114 11.739 -4.665 1.00 54.11 C ATOM 157 CD1 ILE A 156 0.098 11.749 -5.525 1.00 62.20 C ATOM 0 H ILE A 156 3.258 10.058 -7.507 1.00 4.02 H new ATOM 0 HA ILE A 156 3.980 9.147 -4.802 1.00 44.30 H new ATOM 0 HB ILE A 156 1.783 10.169 -4.095 1.00 4.10 H new ATOM 0 HG12 ILE A 156 1.660 11.307 -6.911 1.00 50.14 H new ATOM 0 HG13 ILE A 156 0.738 9.909 -6.396 1.00 50.14 H new ATOM 0 HG21 ILE A 156 2.459 12.532 -4.306 1.00 54.11 H new ATOM 0 HG22 ILE A 156 3.837 11.487 -3.890 1.00 54.11 H new ATOM 0 HG23 ILE A 156 3.641 12.080 -5.556 1.00 54.11 H new ATOM 0 HD11 ILE A 156 -0.628 11.937 -6.316 1.00 62.20 H new ATOM 0 HD12 ILE A 156 -0.400 11.273 -4.680 1.00 62.20 H new ATOM 0 HD13 ILE A 156 0.536 12.694 -5.203 1.00 62.20 H new ATOM 169 N VAL A 157 1.978 7.480 -4.560 1.00 44.44 N ATOM 170 CA VAL A 157 1.031 6.361 -4.530 1.00 75.35 C ATOM 171 C VAL A 157 -0.152 6.688 -3.601 1.00 5.41 C ATOM 172 O VAL A 157 0.040 7.096 -2.452 1.00 11.24 O ATOM 173 CB VAL A 157 1.706 5.047 -4.059 1.00 53.15 C ATOM 174 CG1 VAL A 157 0.705 3.892 -4.050 1.00 0.13 C ATOM 175 CG2 VAL A 157 2.913 4.710 -4.934 1.00 71.32 C ATOM 0 H VAL A 157 2.344 7.738 -3.643 1.00 44.44 H new ATOM 0 HA VAL A 157 0.672 6.214 -5.549 1.00 75.35 H new ATOM 0 HB VAL A 157 2.058 5.198 -3.039 1.00 53.15 H new ATOM 0 HG11 VAL A 157 1.203 2.982 -3.716 1.00 0.13 H new ATOM 0 HG12 VAL A 157 -0.115 4.127 -3.372 1.00 0.13 H new ATOM 0 HG13 VAL A 157 0.313 3.743 -5.056 1.00 0.13 H new ATOM 0 HG21 VAL A 157 3.369 3.784 -4.584 1.00 71.32 H new ATOM 0 HG22 VAL A 157 2.590 4.587 -5.968 1.00 71.32 H new ATOM 0 HG23 VAL A 157 3.642 5.518 -4.876 1.00 71.32 H new ATOM 185 N ARG A 158 -1.370 6.519 -4.110 1.00 63.11 N ATOM 186 CA ARG A 158 -2.587 6.831 -3.349 1.00 50.01 C ATOM 187 C ARG A 158 -3.160 5.568 -2.686 1.00 65.13 C ATOM 188 O ARG A 158 -3.712 4.696 -3.355 1.00 13.35 O ATOM 189 CB ARG A 158 -3.630 7.470 -4.278 1.00 65.21 C ATOM 190 CG ARG A 158 -3.192 8.811 -4.864 1.00 74.24 C ATOM 191 CD ARG A 158 -4.174 9.329 -5.915 1.00 34.32 C ATOM 192 NE ARG A 158 -5.539 9.426 -5.394 1.00 0.30 N ATOM 193 CZ ARG A 158 -6.370 10.396 -5.674 1.00 54.11 C ATOM 194 NH1 ARG A 158 -6.010 11.373 -6.441 1.00 12.32 N ATOM 195 NH2 ARG A 158 -7.565 10.387 -5.182 1.00 4.53 N ATOM 0 H ARG A 158 -1.545 6.166 -5.051 1.00 63.11 H new ATOM 0 HA ARG A 158 -2.332 7.537 -2.559 1.00 50.01 H new ATOM 0 HB2 ARG A 158 -3.847 6.781 -5.094 1.00 65.21 H new ATOM 0 HB3 ARG A 158 -4.558 7.611 -3.724 1.00 65.21 H new ATOM 0 HG2 ARG A 158 -3.100 9.544 -4.062 1.00 74.24 H new ATOM 0 HG3 ARG A 158 -2.204 8.705 -5.313 1.00 74.24 H new ATOM 0 HD2 ARG A 158 -3.849 10.310 -6.262 1.00 34.32 H new ATOM 0 HD3 ARG A 158 -4.163 8.665 -6.779 1.00 34.32 H new ATOM 0 HE ARG A 158 -5.864 8.687 -4.770 1.00 0.30 H new ATOM 0 HH11 ARG A 158 -5.069 11.392 -6.835 1.00 12.32 H new ATOM 0 HH12 ARG A 158 -6.667 12.124 -6.652 1.00 12.32 H new ATOM 0 HH21 ARG A 158 -7.861 9.623 -4.575 1.00 4.53 H new ATOM 0 HH22 ARG A 158 -8.212 11.144 -5.401 1.00 4.53 H new ATOM 209 N VAL A 159 -3.027 5.477 -1.368 1.00 23.11 N ATOM 210 CA VAL A 159 -3.421 4.267 -0.634 1.00 64.51 C ATOM 211 C VAL A 159 -4.739 4.450 0.137 1.00 45.23 C ATOM 212 O VAL A 159 -4.884 5.380 0.935 1.00 43.40 O ATOM 213 CB VAL A 159 -2.304 3.842 0.352 1.00 65.53 C ATOM 214 CG1 VAL A 159 -2.692 2.574 1.111 1.00 60.02 C ATOM 215 CG2 VAL A 159 -0.982 3.648 -0.392 1.00 34.20 C ATOM 0 H VAL A 159 -2.651 6.222 -0.781 1.00 23.11 H new ATOM 0 HA VAL A 159 -3.575 3.487 -1.379 1.00 64.51 H new ATOM 0 HB VAL A 159 -2.175 4.640 1.084 1.00 65.53 H new ATOM 0 HG11 VAL A 159 -1.889 2.300 1.795 1.00 60.02 H new ATOM 0 HG12 VAL A 159 -3.606 2.754 1.677 1.00 60.02 H new ATOM 0 HG13 VAL A 159 -2.858 1.762 0.403 1.00 60.02 H new ATOM 0 HG21 VAL A 159 -0.207 3.350 0.314 1.00 34.20 H new ATOM 0 HG22 VAL A 159 -1.101 2.873 -1.149 1.00 34.20 H new ATOM 0 HG23 VAL A 159 -0.694 4.583 -0.872 1.00 34.20 H new ATOM 225 N PHE A 160 -5.699 3.557 -0.114 1.00 13.12 N ATOM 226 CA PHE A 160 -6.957 3.524 0.640 1.00 33.50 C ATOM 227 C PHE A 160 -6.781 2.758 1.959 1.00 14.33 C ATOM 228 O PHE A 160 -6.544 1.547 1.958 1.00 5.31 O ATOM 229 CB PHE A 160 -8.071 2.867 -0.194 1.00 43.12 C ATOM 230 CG PHE A 160 -8.594 3.729 -1.317 1.00 42.42 C ATOM 231 CD1 PHE A 160 -7.790 4.059 -2.399 1.00 4.21 C ATOM 232 CD2 PHE A 160 -9.896 4.211 -1.287 1.00 32.10 C ATOM 233 CE1 PHE A 160 -8.273 4.848 -3.423 1.00 3.34 C ATOM 234 CE2 PHE A 160 -10.382 5.001 -2.311 1.00 45.02 C ATOM 235 CZ PHE A 160 -9.569 5.320 -3.379 1.00 41.12 C ATOM 0 H PHE A 160 -5.629 2.842 -0.838 1.00 13.12 H new ATOM 0 HA PHE A 160 -7.240 4.553 0.864 1.00 33.50 H new ATOM 0 HB2 PHE A 160 -7.694 1.934 -0.613 1.00 43.12 H new ATOM 0 HB3 PHE A 160 -8.899 2.608 0.466 1.00 43.12 H new ATOM 0 HD1 PHE A 160 -6.774 3.694 -2.440 1.00 4.21 H new ATOM 0 HD2 PHE A 160 -10.537 3.965 -0.453 1.00 32.10 H new ATOM 0 HE1 PHE A 160 -7.636 5.096 -4.259 1.00 3.34 H new ATOM 0 HE2 PHE A 160 -11.397 5.368 -2.275 1.00 45.02 H new ATOM 0 HZ PHE A 160 -9.946 5.939 -4.180 1.00 41.12 H new ATOM 245 N LEU A 161 -6.897 3.471 3.073 1.00 74.41 N ATOM 246 CA LEU A 161 -6.760 2.867 4.400 1.00 54.23 C ATOM 247 C LEU A 161 -8.130 2.452 4.962 1.00 65.23 C ATOM 248 O LEU A 161 -9.141 3.113 4.706 1.00 45.21 O ATOM 249 CB LEU A 161 -6.075 3.852 5.361 1.00 64.45 C ATOM 250 CG LEU A 161 -4.645 4.264 4.978 1.00 64.25 C ATOM 251 CD1 LEU A 161 -4.097 5.291 5.967 1.00 3.14 C ATOM 252 CD2 LEU A 161 -3.729 3.042 4.904 1.00 72.42 C ATOM 0 H LEU A 161 -7.087 4.473 3.087 1.00 74.41 H new ATOM 0 HA LEU A 161 -6.145 1.972 4.304 1.00 54.23 H new ATOM 0 HB2 LEU A 161 -6.687 4.751 5.429 1.00 64.45 H new ATOM 0 HB3 LEU A 161 -6.052 3.406 6.355 1.00 64.45 H new ATOM 0 HG LEU A 161 -4.677 4.724 3.990 1.00 64.25 H new ATOM 0 HD11 LEU A 161 -3.084 5.570 5.678 1.00 3.14 H new ATOM 0 HD12 LEU A 161 -4.732 6.177 5.961 1.00 3.14 H new ATOM 0 HD13 LEU A 161 -4.083 4.861 6.968 1.00 3.14 H new ATOM 0 HD21 LEU A 161 -2.722 3.358 4.631 1.00 72.42 H new ATOM 0 HD22 LEU A 161 -3.704 2.547 5.875 1.00 72.42 H new ATOM 0 HD23 LEU A 161 -4.107 2.349 4.153 1.00 72.42 H new ATOM 264 N PRO A 162 -8.182 1.357 5.747 1.00 23.04 N ATOM 265 CA PRO A 162 -9.443 0.863 6.329 1.00 41.52 C ATOM 266 C PRO A 162 -10.132 1.909 7.227 1.00 13.11 C ATOM 267 O PRO A 162 -9.496 2.855 7.698 1.00 24.34 O ATOM 268 CB PRO A 162 -9.006 -0.365 7.153 1.00 4.55 C ATOM 269 CG PRO A 162 -7.534 -0.203 7.352 1.00 13.30 C ATOM 270 CD PRO A 162 -7.029 0.525 6.133 1.00 63.10 C ATOM 0 HA PRO A 162 -10.180 0.631 5.560 1.00 41.52 H new ATOM 0 HB2 PRO A 162 -9.530 -0.405 8.108 1.00 4.55 H new ATOM 0 HB3 PRO A 162 -9.232 -1.292 6.627 1.00 4.55 H new ATOM 0 HG2 PRO A 162 -7.323 0.362 8.260 1.00 13.30 H new ATOM 0 HG3 PRO A 162 -7.046 -1.172 7.459 1.00 13.30 H new ATOM 0 HD2 PRO A 162 -6.151 1.130 6.359 1.00 63.10 H new ATOM 0 HD3 PRO A 162 -6.745 -0.165 5.339 1.00 63.10 H new ATOM 278 N ASN A 163 -11.436 1.720 7.460 1.00 53.12 N ATOM 279 CA ASN A 163 -12.240 2.648 8.270 1.00 51.10 C ATOM 280 C ASN A 163 -12.444 4.001 7.566 1.00 22.34 C ATOM 281 O ASN A 163 -12.487 5.054 8.210 1.00 13.51 O ATOM 282 CB ASN A 163 -11.620 2.835 9.663 1.00 73.23 C ATOM 283 CG ASN A 163 -11.638 1.547 10.467 1.00 13.31 C ATOM 284 OD1 ASN A 163 -12.516 0.709 10.297 1.00 3.42 O ATOM 285 ND2 ASN A 163 -10.675 1.373 11.348 1.00 41.44 N ATOM 0 H ASN A 163 -11.962 0.926 7.096 1.00 53.12 H new ATOM 0 HA ASN A 163 -13.227 2.201 8.392 1.00 51.10 H new ATOM 0 HB2 ASN A 163 -10.593 3.184 9.559 1.00 73.23 H new ATOM 0 HB3 ASN A 163 -12.167 3.608 10.203 1.00 73.23 H new ATOM 0 HD21 ASN A 163 -10.646 0.523 11.911 1.00 41.44 H new ATOM 0 HD22 ASN A 163 -9.958 2.088 11.467 1.00 41.44 H new ATOM 292 N LYS A 164 -12.599 3.945 6.237 1.00 54.05 N ATOM 293 CA LYS A 164 -12.956 5.114 5.411 1.00 55.22 C ATOM 294 C LYS A 164 -11.827 6.165 5.359 1.00 74.32 C ATOM 295 O LYS A 164 -12.089 7.370 5.303 1.00 44.21 O ATOM 296 CB LYS A 164 -14.260 5.757 5.932 1.00 21.41 C ATOM 297 CG LYS A 164 -15.411 4.771 6.136 1.00 43.32 C ATOM 298 CD LYS A 164 -15.877 4.128 4.830 1.00 71.11 C ATOM 299 CE LYS A 164 -16.980 3.095 5.069 1.00 41.00 C ATOM 300 NZ LYS A 164 -18.152 3.665 5.794 1.00 22.43 N ATOM 0 H LYS A 164 -12.481 3.086 5.699 1.00 54.05 H new ATOM 0 HA LYS A 164 -13.108 4.755 4.393 1.00 55.22 H new ATOM 0 HB2 LYS A 164 -14.052 6.256 6.879 1.00 21.41 H new ATOM 0 HB3 LYS A 164 -14.577 6.527 5.229 1.00 21.41 H new ATOM 0 HG2 LYS A 164 -15.096 3.990 6.828 1.00 43.32 H new ATOM 0 HG3 LYS A 164 -16.250 5.289 6.600 1.00 43.32 H new ATOM 0 HD2 LYS A 164 -16.243 4.901 4.154 1.00 71.11 H new ATOM 0 HD3 LYS A 164 -15.030 3.649 4.338 1.00 71.11 H new ATOM 0 HE2 LYS A 164 -17.310 2.693 4.111 1.00 41.00 H new ATOM 0 HE3 LYS A 164 -16.574 2.261 5.641 1.00 41.00 H new ATOM 0 HZ1 LYS A 164 -18.929 2.973 5.797 1.00 22.43 H new ATOM 0 HZ2 LYS A 164 -17.881 3.885 6.774 1.00 22.43 H new ATOM 0 HZ3 LYS A 164 -18.465 4.535 5.318 1.00 22.43 H new ATOM 314 N GLN A 165 -10.573 5.710 5.338 1.00 2.20 N ATOM 315 CA GLN A 165 -9.414 6.618 5.341 1.00 52.11 C ATOM 316 C GLN A 165 -8.562 6.477 4.066 1.00 30.21 C ATOM 317 O GLN A 165 -8.773 5.582 3.250 1.00 61.51 O ATOM 318 CB GLN A 165 -8.547 6.346 6.583 1.00 44.02 C ATOM 319 CG GLN A 165 -9.255 6.637 7.904 1.00 72.33 C ATOM 320 CD GLN A 165 -9.539 8.117 8.108 1.00 33.42 C ATOM 321 OE1 GLN A 165 -8.783 8.979 7.662 1.00 52.23 O ATOM 322 NE2 GLN A 165 -10.635 8.427 8.772 1.00 41.04 N ATOM 0 H GLN A 165 -10.329 4.720 5.319 1.00 2.20 H new ATOM 0 HA GLN A 165 -9.794 7.639 5.367 1.00 52.11 H new ATOM 0 HB2 GLN A 165 -8.231 5.303 6.573 1.00 44.02 H new ATOM 0 HB3 GLN A 165 -7.644 6.953 6.524 1.00 44.02 H new ATOM 0 HG2 GLN A 165 -10.194 6.084 7.937 1.00 72.33 H new ATOM 0 HG3 GLN A 165 -8.641 6.273 8.728 1.00 72.33 H new ATOM 0 HE21 GLN A 165 -11.241 7.688 9.129 1.00 41.04 H new ATOM 0 HE22 GLN A 165 -10.877 9.405 8.929 1.00 41.04 H new ATOM 331 N ARG A 166 -7.598 7.384 3.899 1.00 4.11 N ATOM 332 CA ARG A 166 -6.653 7.327 2.774 1.00 71.35 C ATOM 333 C ARG A 166 -5.379 8.121 3.101 1.00 53.02 C ATOM 334 O ARG A 166 -5.371 8.946 4.013 1.00 74.24 O ATOM 335 CB ARG A 166 -7.286 7.876 1.476 1.00 42.55 C ATOM 336 CG ARG A 166 -7.587 9.380 1.502 1.00 25.42 C ATOM 337 CD ARG A 166 -8.894 9.705 2.223 1.00 31.32 C ATOM 338 NE ARG A 166 -10.063 9.251 1.469 1.00 23.20 N ATOM 339 CZ ARG A 166 -11.293 9.332 1.900 1.00 30.45 C ATOM 340 NH1 ARG A 166 -11.551 9.814 3.073 1.00 32.45 N ATOM 341 NH2 ARG A 166 -12.264 8.927 1.149 1.00 4.42 N ATOM 0 H ARG A 166 -7.448 8.171 4.530 1.00 4.11 H new ATOM 0 HA ARG A 166 -6.396 6.280 2.616 1.00 71.35 H new ATOM 0 HB2 ARG A 166 -6.615 7.667 0.643 1.00 42.55 H new ATOM 0 HB3 ARG A 166 -8.213 7.336 1.282 1.00 42.55 H new ATOM 0 HG2 ARG A 166 -6.766 9.903 1.993 1.00 25.42 H new ATOM 0 HG3 ARG A 166 -7.637 9.754 0.480 1.00 25.42 H new ATOM 0 HD2 ARG A 166 -8.892 9.235 3.207 1.00 31.32 H new ATOM 0 HD3 ARG A 166 -8.962 10.781 2.384 1.00 31.32 H new ATOM 0 HE ARG A 166 -9.907 8.845 0.547 1.00 23.20 H new ATOM 0 HH11 ARG A 166 -10.790 10.135 3.671 1.00 32.45 H new ATOM 0 HH12 ARG A 166 -12.516 9.873 3.399 1.00 32.45 H new ATOM 0 HH21 ARG A 166 -12.068 8.546 0.223 1.00 4.42 H new ATOM 0 HH22 ARG A 166 -13.226 8.989 1.482 1.00 4.42 H new ATOM 355 N THR A 167 -4.303 7.866 2.356 1.00 1.45 N ATOM 356 CA THR A 167 -3.050 8.623 2.517 1.00 34.54 C ATOM 357 C THR A 167 -2.214 8.605 1.230 1.00 22.11 C ATOM 358 O THR A 167 -2.440 7.782 0.340 1.00 12.40 O ATOM 359 CB THR A 167 -2.184 8.079 3.683 1.00 14.34 C ATOM 360 OG1 THR A 167 -1.042 8.931 3.893 1.00 64.52 O ATOM 361 CG2 THR A 167 -1.713 6.654 3.403 1.00 64.50 C ATOM 0 H THR A 167 -4.268 7.144 1.636 1.00 1.45 H new ATOM 0 HA THR A 167 -3.345 9.647 2.746 1.00 34.54 H new ATOM 0 HB THR A 167 -2.802 8.069 4.581 1.00 14.34 H new ATOM 0 HG1 THR A 167 -0.503 8.579 4.632 1.00 64.52 H new ATOM 0 HG21 THR A 167 -1.108 6.300 4.238 1.00 64.50 H new ATOM 0 HG22 THR A 167 -2.578 6.003 3.280 1.00 64.50 H new ATOM 0 HG23 THR A 167 -1.116 6.641 2.491 1.00 64.50 H new ATOM 369 N VAL A 168 -1.248 9.518 1.139 1.00 41.11 N ATOM 370 CA VAL A 168 -0.365 9.611 -0.030 1.00 60.41 C ATOM 371 C VAL A 168 1.114 9.453 0.370 1.00 43.24 C ATOM 372 O VAL A 168 1.601 10.130 1.283 1.00 30.41 O ATOM 373 CB VAL A 168 -0.556 10.961 -0.770 1.00 74.22 C ATOM 374 CG1 VAL A 168 0.378 11.058 -1.972 1.00 3.51 C ATOM 375 CG2 VAL A 168 -2.014 11.148 -1.196 1.00 0.12 C ATOM 0 H VAL A 168 -1.054 10.209 1.864 1.00 41.11 H new ATOM 0 HA VAL A 168 -0.638 8.796 -0.700 1.00 60.41 H new ATOM 0 HB VAL A 168 -0.301 11.764 -0.078 1.00 74.22 H new ATOM 0 HG11 VAL A 168 0.226 12.013 -2.475 1.00 3.51 H new ATOM 0 HG12 VAL A 168 1.412 10.986 -1.636 1.00 3.51 H new ATOM 0 HG13 VAL A 168 0.164 10.245 -2.665 1.00 3.51 H new ATOM 0 HG21 VAL A 168 -2.123 12.102 -1.713 1.00 0.12 H new ATOM 0 HG22 VAL A 168 -2.304 10.338 -1.865 1.00 0.12 H new ATOM 0 HG23 VAL A 168 -2.655 11.138 -0.314 1.00 0.12 H new ATOM 385 N VAL A 169 1.819 8.554 -0.311 1.00 55.05 N ATOM 386 CA VAL A 169 3.245 8.309 -0.046 1.00 12.43 C ATOM 387 C VAL A 169 4.096 8.500 -1.317 1.00 1.12 C ATOM 388 O VAL A 169 3.643 8.201 -2.422 1.00 10.50 O ATOM 389 CB VAL A 169 3.477 6.879 0.511 1.00 1.43 C ATOM 390 CG1 VAL A 169 2.780 6.700 1.861 1.00 33.52 C ATOM 391 CG2 VAL A 169 3.005 5.821 -0.489 1.00 51.44 C ATOM 0 H VAL A 169 1.429 7.977 -1.056 1.00 55.05 H new ATOM 0 HA VAL A 169 3.555 9.039 0.702 1.00 12.43 H new ATOM 0 HB VAL A 169 4.548 6.746 0.663 1.00 1.43 H new ATOM 0 HG11 VAL A 169 2.957 5.690 2.231 1.00 33.52 H new ATOM 0 HG12 VAL A 169 3.177 7.422 2.574 1.00 33.52 H new ATOM 0 HG13 VAL A 169 1.708 6.860 1.741 1.00 33.52 H new ATOM 0 HG21 VAL A 169 3.178 4.827 -0.076 1.00 51.44 H new ATOM 0 HG22 VAL A 169 1.941 5.953 -0.683 1.00 51.44 H new ATOM 0 HG23 VAL A 169 3.560 5.928 -1.421 1.00 51.44 H new ATOM 401 N PRO A 170 5.337 9.016 -1.183 1.00 12.32 N ATOM 402 CA PRO A 170 6.259 9.162 -2.324 1.00 1.21 C ATOM 403 C PRO A 170 6.932 7.832 -2.718 1.00 73.43 C ATOM 404 O PRO A 170 7.548 7.161 -1.885 1.00 21.53 O ATOM 405 CB PRO A 170 7.291 10.166 -1.801 1.00 41.42 C ATOM 406 CG PRO A 170 7.329 9.933 -0.326 1.00 75.23 C ATOM 407 CD PRO A 170 5.933 9.513 0.076 1.00 54.12 C ATOM 0 HA PRO A 170 5.748 9.485 -3.231 1.00 1.21 H new ATOM 0 HB2 PRO A 170 8.269 10.002 -2.254 1.00 41.42 H new ATOM 0 HB3 PRO A 170 7.000 11.191 -2.033 1.00 41.42 H new ATOM 0 HG2 PRO A 170 8.055 9.160 -0.074 1.00 75.23 H new ATOM 0 HG3 PRO A 170 7.630 10.838 0.202 1.00 75.23 H new ATOM 0 HD2 PRO A 170 5.954 8.738 0.842 1.00 54.12 H new ATOM 0 HD3 PRO A 170 5.366 10.349 0.484 1.00 54.12 H new ATOM 415 N ALA A 171 6.824 7.466 -3.992 1.00 24.15 N ATOM 416 CA ALA A 171 7.364 6.197 -4.489 1.00 53.22 C ATOM 417 C ALA A 171 8.805 6.345 -4.994 1.00 51.24 C ATOM 418 O ALA A 171 9.053 6.974 -6.025 1.00 73.41 O ATOM 419 CB ALA A 171 6.472 5.648 -5.598 1.00 73.20 C ATOM 0 H ALA A 171 6.365 8.032 -4.706 1.00 24.15 H new ATOM 0 HA ALA A 171 7.380 5.496 -3.654 1.00 53.22 H new ATOM 0 HB1 ALA A 171 6.881 4.705 -5.961 1.00 73.20 H new ATOM 0 HB2 ALA A 171 5.468 5.482 -5.208 1.00 73.20 H new ATOM 0 HB3 ALA A 171 6.429 6.364 -6.418 1.00 73.20 H new ATOM 425 N ARG A 172 9.754 5.768 -4.260 1.00 22.13 N ATOM 426 CA ARG A 172 11.165 5.780 -4.669 1.00 62.50 C ATOM 427 C ARG A 172 11.575 4.432 -5.281 1.00 2.20 C ATOM 428 O ARG A 172 10.855 3.442 -5.172 1.00 14.22 O ATOM 429 CB ARG A 172 12.076 6.094 -3.473 1.00 62.10 C ATOM 430 CG ARG A 172 11.775 7.424 -2.784 1.00 5.50 C ATOM 431 CD ARG A 172 12.855 7.778 -1.761 1.00 3.31 C ATOM 432 NE ARG A 172 12.582 9.032 -1.060 1.00 72.44 N ATOM 433 CZ ARG A 172 13.474 9.963 -0.836 1.00 2.12 C ATOM 434 NH1 ARG A 172 14.683 9.845 -1.291 1.00 25.20 N ATOM 435 NH2 ARG A 172 13.148 11.011 -0.154 1.00 14.14 N ATOM 0 H ARG A 172 9.576 5.286 -3.379 1.00 22.13 H new ATOM 0 HA ARG A 172 11.280 6.559 -5.422 1.00 62.50 H new ATOM 0 HB2 ARG A 172 11.985 5.291 -2.742 1.00 62.10 H new ATOM 0 HB3 ARG A 172 13.112 6.100 -3.812 1.00 62.10 H new ATOM 0 HG2 ARG A 172 11.705 8.215 -3.531 1.00 5.50 H new ATOM 0 HG3 ARG A 172 10.806 7.368 -2.288 1.00 5.50 H new ATOM 0 HD2 ARG A 172 12.938 6.971 -1.033 1.00 3.31 H new ATOM 0 HD3 ARG A 172 13.818 7.852 -2.267 1.00 3.31 H new ATOM 0 HE ARG A 172 11.633 9.192 -0.723 1.00 72.44 H new ATOM 0 HH11 ARG A 172 14.947 9.020 -1.830 1.00 25.20 H new ATOM 0 HH12 ARG A 172 15.370 10.577 -1.110 1.00 25.20 H new ATOM 0 HH21 ARG A 172 12.199 11.110 0.207 1.00 14.14 H new ATOM 0 HH22 ARG A 172 13.840 11.739 0.023 1.00 14.14 H new ATOM 449 N CYS A 173 12.742 4.400 -5.919 1.00 30.53 N ATOM 450 CA CYS A 173 13.268 3.161 -6.507 1.00 54.03 C ATOM 451 C CYS A 173 14.022 2.329 -5.460 1.00 23.35 C ATOM 452 O CYS A 173 14.902 2.840 -4.763 1.00 43.35 O ATOM 453 CB CYS A 173 14.201 3.481 -7.682 1.00 20.12 C ATOM 454 SG CYS A 173 14.956 2.026 -8.451 1.00 61.22 S ATOM 0 H CYS A 173 13.344 5.214 -6.044 1.00 30.53 H new ATOM 0 HA CYS A 173 12.421 2.578 -6.869 1.00 54.03 H new ATOM 0 HB2 CYS A 173 13.638 4.027 -8.439 1.00 20.12 H new ATOM 0 HB3 CYS A 173 14.992 4.144 -7.332 1.00 20.12 H new ATOM 0 HG CYS A 173 15.722 2.402 -9.432 1.00 61.22 H new ATOM 460 N GLY A 174 13.676 1.050 -5.352 1.00 52.10 N ATOM 461 CA GLY A 174 14.338 0.171 -4.394 1.00 4.01 C ATOM 462 C GLY A 174 13.789 0.306 -2.976 1.00 14.32 C ATOM 463 O GLY A 174 14.530 0.176 -1.999 1.00 71.24 O ATOM 0 H GLY A 174 12.949 0.602 -5.910 1.00 52.10 H new ATOM 0 HA2 GLY A 174 14.228 -0.862 -4.723 1.00 4.01 H new ATOM 0 HA3 GLY A 174 15.406 0.391 -4.386 1.00 4.01 H new ATOM 467 N VAL A 175 12.492 0.580 -2.864 1.00 52.21 N ATOM 468 CA VAL A 175 11.822 0.691 -1.562 1.00 23.31 C ATOM 469 C VAL A 175 10.534 -0.139 -1.560 1.00 12.13 C ATOM 470 O VAL A 175 9.563 0.210 -2.225 1.00 32.25 O ATOM 471 CB VAL A 175 11.477 2.166 -1.219 1.00 74.03 C ATOM 472 CG1 VAL A 175 10.785 2.262 0.143 1.00 63.35 C ATOM 473 CG2 VAL A 175 12.730 3.042 -1.256 1.00 13.45 C ATOM 0 H VAL A 175 11.876 0.731 -3.663 1.00 52.21 H new ATOM 0 HA VAL A 175 12.511 0.313 -0.807 1.00 23.31 H new ATOM 0 HB VAL A 175 10.785 2.535 -1.976 1.00 74.03 H new ATOM 0 HG11 VAL A 175 10.553 3.305 0.361 1.00 63.35 H new ATOM 0 HG12 VAL A 175 9.862 1.682 0.124 1.00 63.35 H new ATOM 0 HG13 VAL A 175 11.446 1.868 0.915 1.00 63.35 H new ATOM 0 HG21 VAL A 175 12.462 4.070 -1.012 1.00 13.45 H new ATOM 0 HG22 VAL A 175 13.453 2.673 -0.529 1.00 13.45 H new ATOM 0 HG23 VAL A 175 13.169 3.008 -2.253 1.00 13.45 H new ATOM 483 N THR A 176 10.523 -1.235 -0.810 1.00 72.51 N ATOM 484 CA THR A 176 9.382 -2.161 -0.820 1.00 12.13 C ATOM 485 C THR A 176 8.093 -1.506 -0.307 1.00 62.43 C ATOM 486 O THR A 176 8.126 -0.526 0.442 1.00 32.34 O ATOM 487 CB THR A 176 9.645 -3.418 0.046 1.00 3.15 C ATOM 488 OG1 THR A 176 9.674 -3.062 1.438 1.00 5.21 O ATOM 489 CG2 THR A 176 10.958 -4.094 -0.345 1.00 63.30 C ATOM 0 H THR A 176 11.284 -1.509 -0.188 1.00 72.51 H new ATOM 0 HA THR A 176 9.259 -2.446 -1.865 1.00 12.13 H new ATOM 0 HB THR A 176 8.833 -4.124 -0.130 1.00 3.15 H new ATOM 0 HG1 THR A 176 10.594 -2.851 1.703 1.00 5.21 H new ATOM 0 HG21 THR A 176 11.115 -4.973 0.280 1.00 63.30 H new ATOM 0 HG22 THR A 176 10.914 -4.396 -1.391 1.00 63.30 H new ATOM 0 HG23 THR A 176 11.783 -3.396 -0.203 1.00 63.30 H new ATOM 497 N VAL A 177 6.954 -2.070 -0.707 1.00 30.12 N ATOM 498 CA VAL A 177 5.649 -1.623 -0.217 1.00 71.21 C ATOM 499 C VAL A 177 5.591 -1.699 1.316 1.00 12.11 C ATOM 500 O VAL A 177 4.916 -0.903 1.971 1.00 34.34 O ATOM 501 CB VAL A 177 4.505 -2.478 -0.824 1.00 43.14 C ATOM 502 CG1 VAL A 177 3.139 -2.023 -0.313 1.00 75.23 C ATOM 503 CG2 VAL A 177 4.552 -2.429 -2.351 1.00 54.51 C ATOM 0 H VAL A 177 6.908 -2.842 -1.373 1.00 30.12 H new ATOM 0 HA VAL A 177 5.516 -0.587 -0.528 1.00 71.21 H new ATOM 0 HB VAL A 177 4.653 -3.509 -0.504 1.00 43.14 H new ATOM 0 HG11 VAL A 177 2.360 -2.642 -0.757 1.00 75.23 H new ATOM 0 HG12 VAL A 177 3.105 -2.121 0.772 1.00 75.23 H new ATOM 0 HG13 VAL A 177 2.976 -0.981 -0.589 1.00 75.23 H new ATOM 0 HG21 VAL A 177 3.743 -3.034 -2.760 1.00 54.51 H new ATOM 0 HG22 VAL A 177 4.439 -1.398 -2.686 1.00 54.51 H new ATOM 0 HG23 VAL A 177 5.508 -2.820 -2.698 1.00 54.51 H new ATOM 513 N ARG A 178 6.329 -2.655 1.882 1.00 21.14 N ATOM 514 CA ARG A 178 6.378 -2.847 3.333 1.00 61.10 C ATOM 515 C ARG A 178 7.105 -1.685 4.022 1.00 13.43 C ATOM 516 O ARG A 178 6.566 -1.065 4.936 1.00 31.32 O ATOM 517 CB ARG A 178 7.054 -4.185 3.665 1.00 31.53 C ATOM 518 CG ARG A 178 6.681 -4.728 5.038 1.00 5.20 C ATOM 519 CD ARG A 178 7.275 -6.112 5.286 1.00 23.51 C ATOM 520 NE ARG A 178 8.735 -6.101 5.313 1.00 42.54 N ATOM 521 CZ ARG A 178 9.458 -6.924 6.020 1.00 35.23 C ATOM 522 NH1 ARG A 178 8.897 -7.806 6.789 1.00 40.11 N ATOM 523 NH2 ARG A 178 10.747 -6.857 5.966 1.00 21.52 N ATOM 0 H ARG A 178 6.904 -3.312 1.355 1.00 21.14 H new ATOM 0 HA ARG A 178 5.356 -2.867 3.711 1.00 61.10 H new ATOM 0 HB2 ARG A 178 6.782 -4.919 2.906 1.00 31.53 H new ATOM 0 HB3 ARG A 178 8.136 -4.059 3.614 1.00 31.53 H new ATOM 0 HG2 ARG A 178 7.031 -4.040 5.807 1.00 5.20 H new ATOM 0 HG3 ARG A 178 5.596 -4.778 5.125 1.00 5.20 H new ATOM 0 HD2 ARG A 178 6.901 -6.499 6.234 1.00 23.51 H new ATOM 0 HD3 ARG A 178 6.935 -6.794 4.507 1.00 23.51 H new ATOM 0 HE ARG A 178 9.219 -5.407 4.744 1.00 42.54 H new ATOM 0 HH11 ARG A 178 7.880 -7.861 6.845 1.00 40.11 H new ATOM 0 HH12 ARG A 178 9.473 -8.445 7.337 1.00 40.11 H new ATOM 0 HH21 ARG A 178 11.197 -6.161 5.371 1.00 21.52 H new ATOM 0 HH22 ARG A 178 11.315 -7.500 6.518 1.00 21.52 H new ATOM 537 N ASP A 179 8.322 -1.382 3.568 1.00 20.34 N ATOM 538 CA ASP A 179 9.088 -0.249 4.101 1.00 21.42 C ATOM 539 C ASP A 179 8.376 1.084 3.824 1.00 32.54 C ATOM 540 O ASP A 179 8.408 2.011 4.639 1.00 63.13 O ATOM 541 CB ASP A 179 10.500 -0.234 3.506 1.00 24.03 C ATOM 542 CG ASP A 179 11.342 -1.394 4.010 1.00 73.44 C ATOM 543 OD1 ASP A 179 11.687 -1.403 5.208 1.00 5.12 O ATOM 544 OD2 ASP A 179 11.669 -2.298 3.212 1.00 12.13 O ATOM 0 H ASP A 179 8.800 -1.903 2.833 1.00 20.34 H new ATOM 0 HA ASP A 179 9.162 -0.371 5.182 1.00 21.42 H new ATOM 0 HB2 ASP A 179 10.436 -0.278 2.419 1.00 24.03 H new ATOM 0 HB3 ASP A 179 10.990 0.706 3.759 1.00 24.03 H new ATOM 549 N SER A 180 7.719 1.166 2.676 1.00 5.33 N ATOM 550 CA SER A 180 6.970 2.367 2.299 1.00 71.52 C ATOM 551 C SER A 180 5.760 2.593 3.223 1.00 13.35 C ATOM 552 O SER A 180 5.710 3.576 3.964 1.00 45.33 O ATOM 553 CB SER A 180 6.500 2.276 0.839 1.00 73.04 C ATOM 554 OG SER A 180 5.801 3.449 0.448 1.00 0.25 O ATOM 0 H SER A 180 7.686 0.416 1.985 1.00 5.33 H new ATOM 0 HA SER A 180 7.644 3.217 2.406 1.00 71.52 H new ATOM 0 HB2 SER A 180 7.360 2.128 0.186 1.00 73.04 H new ATOM 0 HB3 SER A 180 5.854 1.407 0.716 1.00 73.04 H new ATOM 0 HG SER A 180 5.034 3.202 -0.110 1.00 0.25 H new ATOM 560 N LEU A 181 4.815 1.652 3.214 1.00 13.12 N ATOM 561 CA LEU A 181 3.518 1.837 3.890 1.00 63.02 C ATOM 562 C LEU A 181 3.542 1.525 5.401 1.00 71.44 C ATOM 563 O LEU A 181 2.587 1.859 6.106 1.00 42.03 O ATOM 564 CB LEU A 181 2.440 0.981 3.208 1.00 53.53 C ATOM 565 CG LEU A 181 2.186 1.306 1.727 1.00 11.14 C ATOM 566 CD1 LEU A 181 1.016 0.485 1.183 1.00 43.30 C ATOM 567 CD2 LEU A 181 1.939 2.803 1.536 1.00 52.33 C ATOM 0 H LEU A 181 4.918 0.751 2.747 1.00 13.12 H new ATOM 0 HA LEU A 181 3.286 2.898 3.798 1.00 63.02 H new ATOM 0 HB2 LEU A 181 2.726 -0.068 3.289 1.00 53.53 H new ATOM 0 HB3 LEU A 181 1.505 1.100 3.755 1.00 53.53 H new ATOM 0 HG LEU A 181 3.078 1.036 1.162 1.00 11.14 H new ATOM 0 HD11 LEU A 181 0.855 0.732 0.134 1.00 43.30 H new ATOM 0 HD12 LEU A 181 1.243 -0.577 1.275 1.00 43.30 H new ATOM 0 HD13 LEU A 181 0.115 0.714 1.752 1.00 43.30 H new ATOM 0 HD21 LEU A 181 1.762 3.011 0.481 1.00 52.33 H new ATOM 0 HD22 LEU A 181 1.068 3.105 2.117 1.00 52.33 H new ATOM 0 HD23 LEU A 181 2.812 3.362 1.874 1.00 52.33 H new ATOM 579 N LYS A 182 4.606 0.896 5.911 1.00 42.33 N ATOM 580 CA LYS A 182 4.674 0.575 7.352 1.00 62.25 C ATOM 581 C LYS A 182 4.502 1.828 8.226 1.00 11.34 C ATOM 582 O LYS A 182 4.005 1.744 9.344 1.00 21.43 O ATOM 583 CB LYS A 182 5.985 -0.135 7.723 1.00 11.24 C ATOM 584 CG LYS A 182 7.252 0.683 7.489 1.00 3.03 C ATOM 585 CD LYS A 182 8.478 0.004 8.104 1.00 14.03 C ATOM 586 CE LYS A 182 8.649 -1.437 7.621 1.00 32.41 C ATOM 587 NZ LYS A 182 9.810 -2.108 8.261 1.00 24.13 N ATOM 0 H LYS A 182 5.418 0.602 5.368 1.00 42.33 H new ATOM 0 HA LYS A 182 3.845 -0.105 7.549 1.00 62.25 H new ATOM 0 HB2 LYS A 182 5.942 -0.417 8.775 1.00 11.24 H new ATOM 0 HB3 LYS A 182 6.056 -1.058 7.148 1.00 11.24 H new ATOM 0 HG2 LYS A 182 7.407 0.817 6.419 1.00 3.03 H new ATOM 0 HG3 LYS A 182 7.130 1.677 7.920 1.00 3.03 H new ATOM 0 HD2 LYS A 182 9.371 0.577 7.854 1.00 14.03 H new ATOM 0 HD3 LYS A 182 8.388 0.012 9.190 1.00 14.03 H new ATOM 0 HE2 LYS A 182 7.741 -2.001 7.836 1.00 32.41 H new ATOM 0 HE3 LYS A 182 8.779 -1.443 6.539 1.00 32.41 H new ATOM 0 HZ1 LYS A 182 9.888 -3.082 7.904 1.00 24.13 H new ATOM 0 HZ2 LYS A 182 10.681 -1.586 8.035 1.00 24.13 H new ATOM 0 HZ3 LYS A 182 9.675 -2.127 9.292 1.00 24.13 H new ATOM 601 N LYS A 183 4.905 2.986 7.702 1.00 14.52 N ATOM 602 CA LYS A 183 4.748 4.260 8.420 1.00 44.20 C ATOM 603 C LYS A 183 3.284 4.731 8.420 1.00 32.12 C ATOM 604 O LYS A 183 2.835 5.397 9.356 1.00 22.23 O ATOM 605 CB LYS A 183 5.655 5.333 7.801 1.00 73.24 C ATOM 606 CG LYS A 183 5.441 5.542 6.303 1.00 34.33 C ATOM 607 CD LYS A 183 6.488 6.478 5.699 1.00 61.01 C ATOM 608 CE LYS A 183 7.903 5.911 5.820 1.00 44.43 C ATOM 609 NZ LYS A 183 8.081 4.658 5.034 1.00 74.52 N ATOM 0 H LYS A 183 5.342 3.072 6.785 1.00 14.52 H new ATOM 0 HA LYS A 183 5.044 4.098 9.457 1.00 44.20 H new ATOM 0 HB2 LYS A 183 5.486 6.278 8.317 1.00 73.24 H new ATOM 0 HB3 LYS A 183 6.695 5.058 7.974 1.00 73.24 H new ATOM 0 HG2 LYS A 183 5.479 4.579 5.794 1.00 34.33 H new ATOM 0 HG3 LYS A 183 4.446 5.953 6.133 1.00 34.33 H new ATOM 0 HD2 LYS A 183 6.256 6.651 4.648 1.00 61.01 H new ATOM 0 HD3 LYS A 183 6.441 7.445 6.200 1.00 61.01 H new ATOM 0 HE2 LYS A 183 8.621 6.657 5.478 1.00 44.43 H new ATOM 0 HE3 LYS A 183 8.124 5.713 6.869 1.00 44.43 H new ATOM 0 HZ1 LYS A 183 8.365 3.886 5.671 1.00 74.52 H new ATOM 0 HZ2 LYS A 183 7.185 4.411 4.568 1.00 74.52 H new ATOM 0 HZ3 LYS A 183 8.818 4.801 4.314 1.00 74.52 H new ATOM 623 N ALA A 184 2.543 4.370 7.372 1.00 15.02 N ATOM 624 CA ALA A 184 1.117 4.697 7.280 1.00 12.24 C ATOM 625 C ALA A 184 0.308 3.878 8.293 1.00 4.41 C ATOM 626 O ALA A 184 -0.592 4.392 8.955 1.00 33.40 O ATOM 627 CB ALA A 184 0.608 4.452 5.862 1.00 34.33 C ATOM 0 H ALA A 184 2.906 3.850 6.573 1.00 15.02 H new ATOM 0 HA ALA A 184 0.988 5.753 7.517 1.00 12.24 H new ATOM 0 HB1 ALA A 184 -0.452 4.699 5.808 1.00 34.33 H new ATOM 0 HB2 ALA A 184 1.162 5.078 5.163 1.00 34.33 H new ATOM 0 HB3 ALA A 184 0.750 3.403 5.601 1.00 34.33 H new ATOM 633 N LEU A 185 0.642 2.595 8.411 1.00 50.31 N ATOM 634 CA LEU A 185 0.022 1.723 9.413 1.00 63.12 C ATOM 635 C LEU A 185 0.588 2.005 10.817 1.00 24.14 C ATOM 636 O LEU A 185 -0.104 1.836 11.821 1.00 53.22 O ATOM 637 CB LEU A 185 0.230 0.250 9.032 1.00 41.12 C ATOM 638 CG LEU A 185 -0.425 -0.178 7.706 1.00 11.05 C ATOM 639 CD1 LEU A 185 -0.116 -1.638 7.397 1.00 22.50 C ATOM 640 CD2 LEU A 185 -1.936 0.053 7.744 1.00 43.15 C ATOM 0 H LEU A 185 1.339 2.133 7.826 1.00 50.31 H new ATOM 0 HA LEU A 185 -1.047 1.932 9.436 1.00 63.12 H new ATOM 0 HB2 LEU A 185 1.300 0.054 8.971 1.00 41.12 H new ATOM 0 HB3 LEU A 185 -0.164 -0.376 9.833 1.00 41.12 H new ATOM 0 HG LEU A 185 -0.006 0.438 6.910 1.00 11.05 H new ATOM 0 HD11 LEU A 185 -0.589 -1.919 6.456 1.00 22.50 H new ATOM 0 HD12 LEU A 185 0.963 -1.772 7.315 1.00 22.50 H new ATOM 0 HD13 LEU A 185 -0.501 -2.269 8.198 1.00 22.50 H new ATOM 0 HD21 LEU A 185 -2.375 -0.257 6.796 1.00 43.15 H new ATOM 0 HD22 LEU A 185 -2.373 -0.530 8.555 1.00 43.15 H new ATOM 0 HD23 LEU A 185 -2.138 1.111 7.909 1.00 43.15 H new ATOM 652 N MET A 186 1.841 2.455 10.873 1.00 15.23 N ATOM 653 CA MET A 186 2.492 2.824 12.139 1.00 50.31 C ATOM 654 C MET A 186 1.668 3.862 12.915 1.00 20.41 C ATOM 655 O MET A 186 1.408 3.701 14.108 1.00 74.22 O ATOM 656 CB MET A 186 3.890 3.383 11.857 1.00 2.30 C ATOM 657 CG MET A 186 4.678 3.780 13.098 1.00 72.42 C ATOM 658 SD MET A 186 6.256 4.557 12.690 1.00 40.12 S ATOM 659 CE MET A 186 7.040 3.269 11.721 1.00 21.53 C ATOM 0 H MET A 186 2.433 2.575 10.051 1.00 15.23 H new ATOM 0 HA MET A 186 2.568 1.926 12.752 1.00 50.31 H new ATOM 0 HB2 MET A 186 4.460 2.636 11.304 1.00 2.30 H new ATOM 0 HB3 MET A 186 3.794 4.255 11.210 1.00 2.30 H new ATOM 0 HG2 MET A 186 4.082 4.467 13.699 1.00 72.42 H new ATOM 0 HG3 MET A 186 4.858 2.896 13.709 1.00 72.42 H new ATOM 0 HE1 MET A 186 8.111 3.261 11.925 1.00 21.53 H new ATOM 0 HE2 MET A 186 6.613 2.302 11.987 1.00 21.53 H new ATOM 0 HE3 MET A 186 6.874 3.459 10.661 1.00 21.53 H new ATOM 669 N MET A 187 1.262 4.932 12.231 1.00 25.10 N ATOM 670 CA MET A 187 0.429 5.975 12.850 1.00 64.44 C ATOM 671 C MET A 187 -0.991 5.462 13.171 1.00 40.54 C ATOM 672 O MET A 187 -1.767 6.138 13.845 1.00 55.35 O ATOM 673 CB MET A 187 0.356 7.214 11.946 1.00 63.32 C ATOM 674 CG MET A 187 -0.291 6.962 10.589 1.00 3.22 C ATOM 675 SD MET A 187 -0.259 8.419 9.527 1.00 42.22 S ATOM 676 CE MET A 187 1.507 8.664 9.326 1.00 51.44 C ATOM 0 H MET A 187 1.493 5.103 11.252 1.00 25.10 H new ATOM 0 HA MET A 187 0.901 6.251 13.793 1.00 64.44 H new ATOM 0 HB2 MET A 187 -0.203 7.994 12.463 1.00 63.32 H new ATOM 0 HB3 MET A 187 1.365 7.595 11.789 1.00 63.32 H new ATOM 0 HG2 MET A 187 0.226 6.142 10.091 1.00 3.22 H new ATOM 0 HG3 MET A 187 -1.324 6.646 10.736 1.00 3.22 H new ATOM 0 HE1 MET A 187 1.725 8.900 8.284 1.00 51.44 H new ATOM 0 HE2 MET A 187 1.835 9.487 9.961 1.00 51.44 H new ATOM 0 HE3 MET A 187 2.035 7.754 9.611 1.00 51.44 H new ATOM 686 N ARG A 188 -1.324 4.270 12.672 1.00 72.34 N ATOM 687 CA ARG A 188 -2.607 3.621 12.985 1.00 31.10 C ATOM 688 C ARG A 188 -2.454 2.629 14.151 1.00 3.11 C ATOM 689 O ARG A 188 -3.445 2.128 14.680 1.00 14.35 O ATOM 690 CB ARG A 188 -3.148 2.873 11.754 1.00 14.03 C ATOM 691 CG ARG A 188 -3.302 3.737 10.507 1.00 30.31 C ATOM 692 CD ARG A 188 -4.251 4.908 10.730 1.00 64.13 C ATOM 693 NE ARG A 188 -5.591 4.476 11.128 1.00 14.52 N ATOM 694 CZ ARG A 188 -6.665 5.198 10.971 1.00 32.14 C ATOM 695 NH1 ARG A 188 -6.607 6.345 10.379 1.00 31.44 N ATOM 696 NH2 ARG A 188 -7.803 4.773 11.403 1.00 32.42 N ATOM 0 H ARG A 188 -0.724 3.730 12.048 1.00 72.34 H new ATOM 0 HA ARG A 188 -3.309 4.403 13.274 1.00 31.10 H new ATOM 0 HB2 ARG A 188 -2.479 2.043 11.526 1.00 14.03 H new ATOM 0 HB3 ARG A 188 -4.117 2.441 12.004 1.00 14.03 H new ATOM 0 HG2 ARG A 188 -2.325 4.116 10.207 1.00 30.31 H new ATOM 0 HG3 ARG A 188 -3.672 3.123 9.686 1.00 30.31 H new ATOM 0 HD2 ARG A 188 -3.841 5.563 11.499 1.00 64.13 H new ATOM 0 HD3 ARG A 188 -4.319 5.495 9.814 1.00 64.13 H new ATOM 0 HE ARG A 188 -5.691 3.555 11.554 1.00 14.52 H new ATOM 0 HH11 ARG A 188 -5.715 6.694 10.029 1.00 31.44 H new ATOM 0 HH12 ARG A 188 -7.454 6.902 10.262 1.00 31.44 H new ATOM 0 HH21 ARG A 188 -7.866 3.868 11.870 1.00 32.42 H new ATOM 0 HH22 ARG A 188 -8.641 5.341 11.278 1.00 32.42 H new ATOM 710 N GLY A 189 -1.208 2.351 14.538 1.00 73.55 N ATOM 711 CA GLY A 189 -0.937 1.361 15.580 1.00 72.42 C ATOM 712 C GLY A 189 -0.941 -0.073 15.049 1.00 72.15 C ATOM 713 O GLY A 189 -1.080 -1.030 15.814 1.00 60.42 O ATOM 0 H GLY A 189 -0.376 2.794 14.148 1.00 73.55 H new ATOM 0 HA2 GLY A 189 0.031 1.573 16.034 1.00 72.42 H new ATOM 0 HA3 GLY A 189 -1.685 1.454 16.367 1.00 72.42 H new ATOM 717 N LEU A 190 -0.769 -0.220 13.739 1.00 0.12 N ATOM 718 CA LEU A 190 -0.841 -1.531 13.078 1.00 2.13 C ATOM 719 C LEU A 190 0.473 -1.868 12.353 1.00 62.25 C ATOM 720 O LEU A 190 1.221 -0.977 11.949 1.00 4.41 O ATOM 721 CB LEU A 190 -2.003 -1.540 12.072 1.00 1.04 C ATOM 722 CG LEU A 190 -3.396 -1.275 12.671 1.00 63.05 C ATOM 723 CD1 LEU A 190 -4.442 -1.127 11.569 1.00 51.23 C ATOM 724 CD2 LEU A 190 -3.787 -2.388 13.643 1.00 63.41 C ATOM 0 H LEU A 190 -0.577 0.555 13.105 1.00 0.12 H new ATOM 0 HA LEU A 190 -1.008 -2.287 13.845 1.00 2.13 H new ATOM 0 HB2 LEU A 190 -1.806 -0.788 11.308 1.00 1.04 H new ATOM 0 HB3 LEU A 190 -2.020 -2.508 11.570 1.00 1.04 H new ATOM 0 HG LEU A 190 -3.354 -0.337 13.225 1.00 63.05 H new ATOM 0 HD11 LEU A 190 -5.418 -0.940 12.017 1.00 51.23 H new ATOM 0 HD12 LEU A 190 -4.174 -0.292 10.922 1.00 51.23 H new ATOM 0 HD13 LEU A 190 -4.482 -2.043 10.980 1.00 51.23 H new ATOM 0 HD21 LEU A 190 -4.775 -2.181 14.055 1.00 63.41 H new ATOM 0 HD22 LEU A 190 -3.806 -3.342 13.115 1.00 63.41 H new ATOM 0 HD23 LEU A 190 -3.059 -2.436 14.453 1.00 63.41 H new ATOM 736 N ILE A 191 0.746 -3.161 12.188 1.00 55.21 N ATOM 737 CA ILE A 191 1.936 -3.615 11.456 1.00 15.14 C ATOM 738 C ILE A 191 1.569 -4.144 10.057 1.00 24.13 C ATOM 739 O ILE A 191 0.545 -4.808 9.882 1.00 71.42 O ATOM 740 CB ILE A 191 2.698 -4.722 12.231 1.00 41.14 C ATOM 741 CG1 ILE A 191 1.772 -5.915 12.530 1.00 74.15 C ATOM 742 CG2 ILE A 191 3.296 -4.156 13.517 1.00 2.10 C ATOM 743 CD1 ILE A 191 2.467 -7.079 13.206 1.00 22.44 C ATOM 0 H ILE A 191 0.162 -3.915 12.549 1.00 55.21 H new ATOM 0 HA ILE A 191 2.584 -2.745 11.352 1.00 15.14 H new ATOM 0 HB ILE A 191 3.515 -5.082 11.606 1.00 41.14 H new ATOM 0 HG12 ILE A 191 0.953 -5.576 13.164 1.00 74.15 H new ATOM 0 HG13 ILE A 191 1.330 -6.262 11.596 1.00 74.15 H new ATOM 0 HG21 ILE A 191 3.827 -4.945 14.049 1.00 2.10 H new ATOM 0 HG22 ILE A 191 3.990 -3.352 13.272 1.00 2.10 H new ATOM 0 HG23 ILE A 191 2.498 -3.766 14.149 1.00 2.10 H new ATOM 0 HD11 ILE A 191 1.748 -7.879 13.383 1.00 22.44 H new ATOM 0 HD12 ILE A 191 3.268 -7.446 12.565 1.00 22.44 H new ATOM 0 HD13 ILE A 191 2.885 -6.750 14.157 1.00 22.44 H new ATOM 755 N PRO A 192 2.407 -3.857 9.038 1.00 23.32 N ATOM 756 CA PRO A 192 2.166 -4.321 7.656 1.00 2.12 C ATOM 757 C PRO A 192 2.130 -5.854 7.533 1.00 70.21 C ATOM 758 O PRO A 192 1.432 -6.401 6.679 1.00 44.33 O ATOM 759 CB PRO A 192 3.349 -3.733 6.866 1.00 30.10 C ATOM 760 CG PRO A 192 4.388 -3.419 7.889 1.00 72.14 C ATOM 761 CD PRO A 192 3.640 -3.053 9.140 1.00 42.21 C ATOM 0 HA PRO A 192 1.192 -3.999 7.289 1.00 2.12 H new ATOM 0 HB2 PRO A 192 3.724 -4.445 6.131 1.00 30.10 H new ATOM 0 HB3 PRO A 192 3.051 -2.838 6.320 1.00 30.10 H new ATOM 0 HG2 PRO A 192 5.039 -4.277 8.060 1.00 72.14 H new ATOM 0 HG3 PRO A 192 5.024 -2.597 7.560 1.00 72.14 H new ATOM 0 HD2 PRO A 192 4.209 -3.299 10.037 1.00 42.21 H new ATOM 0 HD3 PRO A 192 3.423 -1.986 9.183 1.00 42.21 H new ATOM 769 N GLU A 193 2.865 -6.537 8.410 1.00 72.54 N ATOM 770 CA GLU A 193 2.947 -8.006 8.393 1.00 50.24 C ATOM 771 C GLU A 193 1.552 -8.656 8.484 1.00 14.03 C ATOM 772 O GLU A 193 1.311 -9.720 7.917 1.00 60.44 O ATOM 773 CB GLU A 193 3.809 -8.515 9.564 1.00 3.31 C ATOM 774 CG GLU A 193 5.050 -7.673 9.864 1.00 33.22 C ATOM 775 CD GLU A 193 5.923 -7.416 8.645 1.00 2.04 C ATOM 776 OE1 GLU A 193 6.657 -8.333 8.218 1.00 0.23 O ATOM 777 OE2 GLU A 193 5.899 -6.285 8.126 1.00 23.21 O ATOM 0 H GLU A 193 3.417 -6.098 9.147 1.00 72.54 H new ATOM 0 HA GLU A 193 3.405 -8.287 7.445 1.00 50.24 H new ATOM 0 HB2 GLU A 193 3.190 -8.556 10.460 1.00 3.31 H new ATOM 0 HB3 GLU A 193 4.124 -9.536 9.347 1.00 3.31 H new ATOM 0 HG2 GLU A 193 4.737 -6.717 10.284 1.00 33.22 H new ATOM 0 HG3 GLU A 193 5.645 -8.177 10.626 1.00 33.22 H new ATOM 784 N CYS A 194 0.640 -7.999 9.202 1.00 32.04 N ATOM 785 CA CYS A 194 -0.707 -8.538 9.441 1.00 54.03 C ATOM 786 C CYS A 194 -1.770 -7.839 8.572 1.00 11.23 C ATOM 787 O CYS A 194 -2.963 -7.867 8.881 1.00 22.33 O ATOM 788 CB CYS A 194 -1.063 -8.385 10.926 1.00 13.23 C ATOM 789 SG CYS A 194 -2.682 -9.049 11.378 1.00 13.33 S ATOM 0 H CYS A 194 0.807 -7.089 9.631 1.00 32.04 H new ATOM 0 HA CYS A 194 -0.700 -9.592 9.165 1.00 54.03 H new ATOM 0 HB2 CYS A 194 -0.300 -8.884 11.523 1.00 13.23 H new ATOM 0 HB3 CYS A 194 -1.032 -7.327 11.187 1.00 13.23 H new ATOM 0 HG CYS A 194 -3.518 -8.855 10.402 1.00 13.33 H new ATOM 795 N CYS A 195 -1.339 -7.227 7.471 1.00 74.44 N ATOM 796 CA CYS A 195 -2.259 -6.521 6.567 1.00 62.54 C ATOM 797 C CYS A 195 -2.142 -7.035 5.125 1.00 1.10 C ATOM 798 O CYS A 195 -1.157 -7.676 4.757 1.00 14.32 O ATOM 799 CB CYS A 195 -1.994 -5.010 6.610 1.00 13.53 C ATOM 800 SG CYS A 195 -2.278 -4.256 8.231 1.00 22.53 S ATOM 0 H CYS A 195 -0.362 -7.203 7.179 1.00 74.44 H new ATOM 0 HA CYS A 195 -3.274 -6.718 6.911 1.00 62.54 H new ATOM 0 HB2 CYS A 195 -0.963 -4.824 6.310 1.00 13.53 H new ATOM 0 HB3 CYS A 195 -2.633 -4.519 5.876 1.00 13.53 H new ATOM 0 HG CYS A 195 -1.216 -4.397 8.967 1.00 22.53 H new ATOM 806 N ALA A 196 -3.154 -6.752 4.309 1.00 22.11 N ATOM 807 CA ALA A 196 -3.180 -7.198 2.911 1.00 31.43 C ATOM 808 C ALA A 196 -3.476 -6.037 1.949 1.00 72.23 C ATOM 809 O ALA A 196 -4.410 -5.260 2.164 1.00 61.22 O ATOM 810 CB ALA A 196 -4.217 -8.303 2.734 1.00 31.13 C ATOM 0 H ALA A 196 -3.973 -6.213 4.590 1.00 22.11 H new ATOM 0 HA ALA A 196 -2.191 -7.586 2.667 1.00 31.43 H new ATOM 0 HB1 ALA A 196 -4.229 -8.627 1.693 1.00 31.13 H new ATOM 0 HB2 ALA A 196 -3.962 -9.147 3.374 1.00 31.13 H new ATOM 0 HB3 ALA A 196 -5.202 -7.925 3.007 1.00 31.13 H new ATOM 816 N VAL A 197 -2.672 -5.924 0.891 1.00 62.13 N ATOM 817 CA VAL A 197 -2.864 -4.888 -0.135 1.00 31.04 C ATOM 818 C VAL A 197 -3.283 -5.516 -1.470 1.00 40.13 C ATOM 819 O VAL A 197 -2.759 -6.558 -1.863 1.00 35.22 O ATOM 820 CB VAL A 197 -1.563 -4.072 -0.368 1.00 34.41 C ATOM 821 CG1 VAL A 197 -1.827 -2.868 -1.275 1.00 1.43 C ATOM 822 CG2 VAL A 197 -0.939 -3.636 0.956 1.00 33.32 C ATOM 0 H VAL A 197 -1.877 -6.539 0.718 1.00 62.13 H new ATOM 0 HA VAL A 197 -3.648 -4.224 0.229 1.00 31.04 H new ATOM 0 HB VAL A 197 -0.848 -4.722 -0.872 1.00 34.41 H new ATOM 0 HG11 VAL A 197 -0.900 -2.313 -1.422 1.00 1.43 H new ATOM 0 HG12 VAL A 197 -2.200 -3.214 -2.239 1.00 1.43 H new ATOM 0 HG13 VAL A 197 -2.569 -2.218 -0.810 1.00 1.43 H new ATOM 0 HG21 VAL A 197 -0.030 -3.067 0.760 1.00 33.32 H new ATOM 0 HG22 VAL A 197 -1.646 -3.013 1.504 1.00 33.32 H new ATOM 0 HG23 VAL A 197 -0.695 -4.516 1.550 1.00 33.32 H new ATOM 832 N TYR A 198 -4.228 -4.891 -2.170 1.00 75.31 N ATOM 833 CA TYR A 198 -4.616 -5.362 -3.505 1.00 75.10 C ATOM 834 C TYR A 198 -5.048 -4.206 -4.418 1.00 61.44 C ATOM 835 O TYR A 198 -5.421 -3.124 -3.952 1.00 42.43 O ATOM 836 CB TYR A 198 -5.730 -6.418 -3.418 1.00 75.02 C ATOM 837 CG TYR A 198 -7.059 -5.907 -2.877 1.00 41.04 C ATOM 838 CD1 TYR A 198 -7.270 -5.759 -1.509 1.00 61.43 C ATOM 839 CD2 TYR A 198 -8.109 -5.589 -3.740 1.00 52.01 C ATOM 840 CE1 TYR A 198 -8.483 -5.311 -1.018 1.00 54.24 C ATOM 841 CE2 TYR A 198 -9.320 -5.138 -3.253 1.00 74.51 C ATOM 842 CZ TYR A 198 -9.502 -5.000 -1.893 1.00 30.01 C ATOM 843 OH TYR A 198 -10.714 -4.558 -1.408 1.00 50.21 O ATOM 0 H TYR A 198 -4.735 -4.068 -1.844 1.00 75.31 H new ATOM 0 HA TYR A 198 -3.733 -5.823 -3.947 1.00 75.10 H new ATOM 0 HB2 TYR A 198 -5.895 -6.833 -4.412 1.00 75.02 H new ATOM 0 HB3 TYR A 198 -5.387 -7.235 -2.784 1.00 75.02 H new ATOM 0 HD1 TYR A 198 -6.474 -5.998 -0.820 1.00 61.43 H new ATOM 0 HD2 TYR A 198 -7.972 -5.697 -4.806 1.00 52.01 H new ATOM 0 HE1 TYR A 198 -8.631 -5.205 0.047 1.00 54.24 H new ATOM 0 HE2 TYR A 198 -10.121 -4.894 -3.935 1.00 74.51 H new ATOM 0 HH TYR A 198 -11.321 -4.382 -2.157 1.00 50.21 H new ATOM 853 N ARG A 199 -4.989 -4.450 -5.723 1.00 54.22 N ATOM 854 CA ARG A 199 -5.388 -3.463 -6.733 1.00 50.41 C ATOM 855 C ARG A 199 -6.249 -4.113 -7.828 1.00 41.40 C ATOM 856 O ARG A 199 -5.965 -5.228 -8.271 1.00 2.04 O ATOM 857 CB ARG A 199 -4.146 -2.806 -7.357 1.00 72.44 C ATOM 858 CG ARG A 199 -3.082 -3.803 -7.824 1.00 22.20 C ATOM 859 CD ARG A 199 -1.902 -3.113 -8.513 1.00 65.40 C ATOM 860 NE ARG A 199 -2.211 -2.722 -9.889 1.00 41.30 N ATOM 861 CZ ARG A 199 -2.633 -1.542 -10.255 1.00 23.24 C ATOM 862 NH1 ARG A 199 -2.841 -0.608 -9.381 1.00 73.21 N ATOM 863 NH2 ARG A 199 -2.849 -1.300 -11.502 1.00 22.34 N ATOM 0 H ARG A 199 -4.665 -5.334 -6.115 1.00 54.22 H new ATOM 0 HA ARG A 199 -5.985 -2.696 -6.239 1.00 50.41 H new ATOM 0 HB2 ARG A 199 -4.457 -2.198 -8.207 1.00 72.44 H new ATOM 0 HB3 ARG A 199 -3.700 -2.130 -6.628 1.00 72.44 H new ATOM 0 HG2 ARG A 199 -2.718 -4.371 -6.967 1.00 22.20 H new ATOM 0 HG3 ARG A 199 -3.534 -4.518 -8.512 1.00 22.20 H new ATOM 0 HD2 ARG A 199 -1.618 -2.229 -7.942 1.00 65.40 H new ATOM 0 HD3 ARG A 199 -1.042 -3.783 -8.513 1.00 65.40 H new ATOM 0 HE ARG A 199 -2.087 -3.425 -10.618 1.00 41.30 H new ATOM 0 HH11 ARG A 199 -2.675 -0.790 -8.391 1.00 73.21 H new ATOM 0 HH12 ARG A 199 -3.171 0.309 -9.683 1.00 73.21 H new ATOM 0 HH21 ARG A 199 -2.690 -2.029 -12.198 1.00 22.34 H new ATOM 0 HH22 ARG A 199 -3.179 -0.380 -11.793 1.00 22.34 H new ATOM 877 N ILE A 200 -7.299 -3.417 -8.258 1.00 13.52 N ATOM 878 CA ILE A 200 -8.207 -3.947 -9.280 1.00 32.05 C ATOM 879 C ILE A 200 -7.672 -3.682 -10.697 1.00 34.12 C ATOM 880 O ILE A 200 -7.505 -2.533 -11.108 1.00 15.11 O ATOM 881 CB ILE A 200 -9.632 -3.352 -9.141 1.00 23.44 C ATOM 882 CG1 ILE A 200 -10.192 -3.630 -7.732 1.00 65.40 C ATOM 883 CG2 ILE A 200 -10.562 -3.923 -10.215 1.00 32.42 C ATOM 884 CD1 ILE A 200 -11.591 -3.088 -7.507 1.00 22.34 C ATOM 0 H ILE A 200 -7.544 -2.487 -7.918 1.00 13.52 H new ATOM 0 HA ILE A 200 -8.263 -5.024 -9.122 1.00 32.05 H new ATOM 0 HB ILE A 200 -9.573 -2.273 -9.283 1.00 23.44 H new ATOM 0 HG12 ILE A 200 -10.198 -4.706 -7.560 1.00 65.40 H new ATOM 0 HG13 ILE A 200 -9.521 -3.193 -6.993 1.00 65.40 H new ATOM 0 HG21 ILE A 200 -11.557 -3.493 -10.101 1.00 32.42 H new ATOM 0 HG22 ILE A 200 -10.172 -3.677 -11.203 1.00 32.42 H new ATOM 0 HG23 ILE A 200 -10.620 -5.006 -10.108 1.00 32.42 H new ATOM 0 HD11 ILE A 200 -11.914 -3.324 -6.493 1.00 22.34 H new ATOM 0 HD12 ILE A 200 -11.589 -2.007 -7.645 1.00 22.34 H new ATOM 0 HD13 ILE A 200 -12.277 -3.543 -8.221 1.00 22.34 H new ATOM 896 N GLN A 201 -7.403 -4.757 -11.436 1.00 1.44 N ATOM 897 CA GLN A 201 -6.873 -4.661 -12.799 1.00 61.31 C ATOM 898 C GLN A 201 -7.783 -5.373 -13.797 1.00 44.43 C ATOM 899 O GLN A 201 -7.939 -6.589 -13.737 1.00 1.13 O ATOM 900 CB GLN A 201 -5.476 -5.289 -12.875 1.00 42.14 C ATOM 901 CG GLN A 201 -4.434 -4.589 -12.021 1.00 45.35 C ATOM 902 CD GLN A 201 -3.079 -5.278 -12.053 1.00 72.02 C ATOM 903 OE1 GLN A 201 -2.046 -4.634 -11.932 1.00 4.21 O ATOM 904 NE2 GLN A 201 -3.069 -6.590 -12.199 1.00 24.42 N ATOM 0 H GLN A 201 -7.544 -5.714 -11.112 1.00 1.44 H new ATOM 0 HA GLN A 201 -6.820 -3.603 -13.054 1.00 61.31 H new ATOM 0 HB2 GLN A 201 -5.541 -6.332 -12.567 1.00 42.14 H new ATOM 0 HB3 GLN A 201 -5.143 -5.283 -13.913 1.00 42.14 H new ATOM 0 HG2 GLN A 201 -4.321 -3.561 -12.365 1.00 45.35 H new ATOM 0 HG3 GLN A 201 -4.788 -4.543 -10.991 1.00 45.35 H new ATOM 0 HE21 GLN A 201 -3.947 -7.099 -12.298 1.00 24.42 H new ATOM 0 HE22 GLN A 201 -2.183 -7.095 -12.213 1.00 24.42 H new ATOM 913 N ASP A 202 -8.399 -4.614 -14.700 1.00 14.32 N ATOM 914 CA ASP A 202 -9.151 -5.209 -15.812 1.00 10.11 C ATOM 915 C ASP A 202 -10.300 -6.119 -15.304 1.00 51.42 C ATOM 916 O ASP A 202 -10.828 -6.959 -16.036 1.00 21.33 O ATOM 917 CB ASP A 202 -8.155 -5.986 -16.694 1.00 64.24 C ATOM 918 CG ASP A 202 -8.774 -6.574 -17.952 1.00 32.20 C ATOM 919 OD1 ASP A 202 -9.247 -5.794 -18.808 1.00 75.41 O ATOM 920 OD2 ASP A 202 -8.763 -7.816 -18.104 1.00 44.11 O ATOM 0 H ASP A 202 -8.395 -3.594 -14.688 1.00 14.32 H new ATOM 0 HA ASP A 202 -9.629 -4.424 -16.398 1.00 10.11 H new ATOM 0 HB2 ASP A 202 -7.341 -5.320 -16.979 1.00 64.24 H new ATOM 0 HB3 ASP A 202 -7.716 -6.792 -16.106 1.00 64.24 H new ATOM 925 N GLY A 203 -10.712 -5.906 -14.054 1.00 24.32 N ATOM 926 CA GLY A 203 -11.750 -6.731 -13.438 1.00 3.22 C ATOM 927 C GLY A 203 -11.231 -7.663 -12.339 1.00 13.41 C ATOM 928 O GLY A 203 -12.000 -8.095 -11.473 1.00 71.13 O ATOM 0 H GLY A 203 -10.344 -5.171 -13.450 1.00 24.32 H new ATOM 0 HA2 GLY A 203 -12.516 -6.080 -13.017 1.00 3.22 H new ATOM 0 HA3 GLY A 203 -12.231 -7.330 -14.211 1.00 3.22 H new ATOM 932 N GLU A 204 -9.937 -7.984 -12.362 1.00 50.33 N ATOM 933 CA GLU A 204 -9.343 -8.863 -11.341 1.00 74.22 C ATOM 934 C GLU A 204 -8.950 -8.077 -10.079 1.00 44.15 C ATOM 935 O GLU A 204 -8.704 -6.872 -10.135 1.00 73.12 O ATOM 936 CB GLU A 204 -8.087 -9.572 -11.888 1.00 65.00 C ATOM 937 CG GLU A 204 -6.819 -8.715 -11.835 1.00 33.11 C ATOM 938 CD GLU A 204 -5.568 -9.445 -12.298 1.00 43.42 C ATOM 939 OE1 GLU A 204 -5.434 -10.651 -12.012 1.00 21.03 O ATOM 940 OE2 GLU A 204 -4.706 -8.812 -12.944 1.00 31.24 O ATOM 0 H GLU A 204 -9.280 -7.654 -13.069 1.00 50.33 H new ATOM 0 HA GLU A 204 -10.102 -9.601 -11.082 1.00 74.22 H new ATOM 0 HB2 GLU A 204 -7.920 -10.486 -11.318 1.00 65.00 H new ATOM 0 HB3 GLU A 204 -8.270 -9.869 -12.921 1.00 65.00 H new ATOM 0 HG2 GLU A 204 -6.963 -7.830 -12.455 1.00 33.11 H new ATOM 0 HG3 GLU A 204 -6.669 -8.367 -10.813 1.00 33.11 H new ATOM 947 N LYS A 205 -8.892 -8.767 -8.945 1.00 0.24 N ATOM 948 CA LYS A 205 -8.308 -8.204 -7.726 1.00 24.44 C ATOM 949 C LYS A 205 -6.907 -8.787 -7.509 1.00 43.42 C ATOM 950 O LYS A 205 -6.751 -9.920 -7.053 1.00 25.44 O ATOM 951 CB LYS A 205 -9.211 -8.472 -6.513 1.00 34.42 C ATOM 952 CG LYS A 205 -10.503 -7.660 -6.537 1.00 11.35 C ATOM 953 CD LYS A 205 -11.406 -7.968 -5.347 1.00 22.41 C ATOM 954 CE LYS A 205 -12.676 -7.126 -5.380 1.00 61.04 C ATOM 955 NZ LYS A 205 -13.587 -7.454 -4.257 1.00 73.32 N ATOM 0 H LYS A 205 -9.242 -9.719 -8.841 1.00 0.24 H new ATOM 0 HA LYS A 205 -8.224 -7.123 -7.840 1.00 24.44 H new ATOM 0 HB2 LYS A 205 -9.457 -9.533 -6.478 1.00 34.42 H new ATOM 0 HB3 LYS A 205 -8.661 -8.242 -5.600 1.00 34.42 H new ATOM 0 HG2 LYS A 205 -10.261 -6.597 -6.540 1.00 11.35 H new ATOM 0 HG3 LYS A 205 -11.042 -7.867 -7.462 1.00 11.35 H new ATOM 0 HD2 LYS A 205 -11.669 -9.026 -5.352 1.00 22.41 H new ATOM 0 HD3 LYS A 205 -10.866 -7.778 -4.420 1.00 22.41 H new ATOM 0 HE2 LYS A 205 -12.412 -6.069 -5.336 1.00 61.04 H new ATOM 0 HE3 LYS A 205 -13.193 -7.287 -6.326 1.00 61.04 H new ATOM 0 HZ1 LYS A 205 -14.438 -6.860 -4.316 1.00 73.32 H new ATOM 0 HZ2 LYS A 205 -13.860 -8.456 -4.313 1.00 73.32 H new ATOM 0 HZ3 LYS A 205 -13.103 -7.277 -3.354 1.00 73.32 H new ATOM 969 N LYS A 206 -5.893 -8.015 -7.877 1.00 61.22 N ATOM 970 CA LYS A 206 -4.502 -8.468 -7.821 1.00 53.21 C ATOM 971 C LYS A 206 -3.873 -8.198 -6.440 1.00 43.52 C ATOM 972 O LYS A 206 -3.687 -7.038 -6.057 1.00 10.21 O ATOM 973 CB LYS A 206 -3.700 -7.750 -8.915 1.00 43.12 C ATOM 974 CG LYS A 206 -2.281 -8.276 -9.109 1.00 64.00 C ATOM 975 CD LYS A 206 -2.271 -9.723 -9.596 1.00 23.32 C ATOM 976 CE LYS A 206 -0.860 -10.204 -9.913 1.00 10.12 C ATOM 977 NZ LYS A 206 0.036 -10.136 -8.728 1.00 32.41 N ATOM 0 H LYS A 206 -6.006 -7.062 -8.221 1.00 61.22 H new ATOM 0 HA LYS A 206 -4.480 -9.545 -7.985 1.00 53.21 H new ATOM 0 HB2 LYS A 206 -4.238 -7.837 -9.859 1.00 43.12 H new ATOM 0 HB3 LYS A 206 -3.650 -6.688 -8.674 1.00 43.12 H new ATOM 0 HG2 LYS A 206 -1.756 -7.647 -9.828 1.00 64.00 H new ATOM 0 HG3 LYS A 206 -1.736 -8.206 -8.168 1.00 64.00 H new ATOM 0 HD2 LYS A 206 -2.712 -10.366 -8.834 1.00 23.32 H new ATOM 0 HD3 LYS A 206 -2.894 -9.811 -10.486 1.00 23.32 H new ATOM 0 HE2 LYS A 206 -0.901 -11.231 -10.277 1.00 10.12 H new ATOM 0 HE3 LYS A 206 -0.443 -9.597 -10.717 1.00 10.12 H new ATOM 0 HZ1 LYS A 206 0.954 -10.566 -8.961 1.00 32.41 H new ATOM 0 HZ2 LYS A 206 0.178 -9.142 -8.457 1.00 32.41 H new ATOM 0 HZ3 LYS A 206 -0.397 -10.652 -7.936 1.00 32.41 H new ATOM 991 N PRO A 207 -3.552 -9.258 -5.666 1.00 45.52 N ATOM 992 CA PRO A 207 -2.898 -9.113 -4.356 1.00 1.33 C ATOM 993 C PRO A 207 -1.421 -8.703 -4.484 1.00 44.22 C ATOM 994 O PRO A 207 -0.644 -9.340 -5.201 1.00 4.11 O ATOM 995 CB PRO A 207 -3.030 -10.513 -3.739 1.00 3.25 C ATOM 996 CG PRO A 207 -3.079 -11.431 -4.911 1.00 11.53 C ATOM 997 CD PRO A 207 -3.803 -10.679 -6.000 1.00 4.43 C ATOM 0 HA PRO A 207 -3.352 -8.327 -3.752 1.00 1.33 H new ATOM 0 HB2 PRO A 207 -2.185 -10.742 -3.090 1.00 3.25 H new ATOM 0 HB3 PRO A 207 -3.931 -10.596 -3.131 1.00 3.25 H new ATOM 0 HG2 PRO A 207 -2.075 -11.709 -5.231 1.00 11.53 H new ATOM 0 HG3 PRO A 207 -3.601 -12.355 -4.661 1.00 11.53 H new ATOM 0 HD2 PRO A 207 -3.418 -10.933 -6.987 1.00 4.43 H new ATOM 0 HD3 PRO A 207 -4.869 -10.908 -6.005 1.00 4.43 H new ATOM 1005 N ILE A 208 -1.042 -7.639 -3.787 1.00 31.54 N ATOM 1006 CA ILE A 208 0.315 -7.095 -3.869 1.00 43.50 C ATOM 1007 C ILE A 208 1.201 -7.607 -2.726 1.00 74.30 C ATOM 1008 O ILE A 208 0.821 -7.548 -1.555 1.00 41.53 O ATOM 1009 CB ILE A 208 0.288 -5.546 -3.828 1.00 44.41 C ATOM 1010 CG1 ILE A 208 -0.640 -5.000 -4.928 1.00 73.21 C ATOM 1011 CG2 ILE A 208 1.701 -4.972 -3.978 1.00 24.12 C ATOM 1012 CD1 ILE A 208 -0.821 -3.496 -4.888 1.00 4.32 C ATOM 0 H ILE A 208 -1.658 -7.130 -3.153 1.00 31.54 H new ATOM 0 HA ILE A 208 0.735 -7.432 -4.817 1.00 43.50 H new ATOM 0 HB ILE A 208 -0.101 -5.234 -2.859 1.00 44.41 H new ATOM 0 HG12 ILE A 208 -0.239 -5.282 -5.901 1.00 73.21 H new ATOM 0 HG13 ILE A 208 -1.616 -5.476 -4.836 1.00 73.21 H new ATOM 0 HG21 ILE A 208 1.657 -3.883 -3.946 1.00 24.12 H new ATOM 0 HG22 ILE A 208 2.329 -5.334 -3.164 1.00 24.12 H new ATOM 0 HG23 ILE A 208 2.124 -5.290 -4.931 1.00 24.12 H new ATOM 0 HD11 ILE A 208 -1.488 -3.188 -5.694 1.00 4.32 H new ATOM 0 HD12 ILE A 208 -1.252 -3.207 -3.930 1.00 4.32 H new ATOM 0 HD13 ILE A 208 0.147 -3.010 -5.012 1.00 4.32 H new ATOM 1024 N GLY A 209 2.383 -8.106 -3.076 1.00 74.12 N ATOM 1025 CA GLY A 209 3.344 -8.535 -2.071 1.00 35.24 C ATOM 1026 C GLY A 209 4.053 -7.356 -1.410 1.00 14.52 C ATOM 1027 O GLY A 209 4.541 -6.460 -2.096 1.00 71.23 O ATOM 0 H GLY A 209 2.695 -8.222 -4.040 1.00 74.12 H new ATOM 0 HA2 GLY A 209 2.832 -9.122 -1.309 1.00 35.24 H new ATOM 0 HA3 GLY A 209 4.084 -9.188 -2.534 1.00 35.24 H new ATOM 1031 N TRP A 210 4.114 -7.355 -0.082 1.00 12.13 N ATOM 1032 CA TRP A 210 4.743 -6.262 0.670 1.00 51.14 C ATOM 1033 C TRP A 210 6.230 -6.084 0.304 1.00 44.22 C ATOM 1034 O TRP A 210 6.777 -4.983 0.411 1.00 35.24 O ATOM 1035 CB TRP A 210 4.597 -6.512 2.176 1.00 1.24 C ATOM 1036 CG TRP A 210 3.193 -6.338 2.689 1.00 11.41 C ATOM 1037 CD1 TRP A 210 2.245 -7.307 2.854 1.00 32.00 C ATOM 1038 CD2 TRP A 210 2.586 -5.111 3.106 1.00 21.50 C ATOM 1039 NE1 TRP A 210 1.091 -6.752 3.359 1.00 54.13 N ATOM 1040 CE2 TRP A 210 1.277 -5.407 3.521 1.00 31.24 C ATOM 1041 CE3 TRP A 210 3.028 -3.792 3.169 1.00 35.30 C ATOM 1042 CZ2 TRP A 210 0.406 -4.427 3.996 1.00 61.33 C ATOM 1043 CZ3 TRP A 210 2.169 -2.818 3.638 1.00 4.02 C ATOM 1044 CH2 TRP A 210 0.869 -3.140 4.051 1.00 30.40 C ATOM 0 H TRP A 210 3.735 -8.100 0.502 1.00 12.13 H new ATOM 0 HA TRP A 210 4.229 -5.339 0.399 1.00 51.14 H new ATOM 0 HB2 TRP A 210 4.933 -7.524 2.401 1.00 1.24 H new ATOM 0 HB3 TRP A 210 5.257 -5.831 2.713 1.00 1.24 H new ATOM 0 HD1 TRP A 210 2.381 -8.353 2.623 1.00 32.00 H new ATOM 0 HE1 TRP A 210 0.235 -7.262 3.577 1.00 54.13 H new ATOM 0 HE3 TRP A 210 4.029 -3.534 2.855 1.00 35.30 H new ATOM 0 HZ2 TRP A 210 -0.598 -4.674 4.309 1.00 61.33 H new ATOM 0 HZ3 TRP A 210 2.504 -1.792 3.687 1.00 4.02 H new ATOM 0 HH2 TRP A 210 0.221 -2.359 4.419 1.00 30.40 H new ATOM 1055 N ASP A 211 6.875 -7.166 -0.136 1.00 1.34 N ATOM 1056 CA ASP A 211 8.295 -7.130 -0.515 1.00 11.34 C ATOM 1057 C ASP A 211 8.506 -6.559 -1.933 1.00 24.13 C ATOM 1058 O ASP A 211 9.644 -6.358 -2.367 1.00 71.15 O ATOM 1059 CB ASP A 211 8.903 -8.535 -0.413 1.00 1.11 C ATOM 1060 CG ASP A 211 8.875 -9.072 1.009 1.00 54.01 C ATOM 1061 OD1 ASP A 211 9.737 -8.672 1.816 1.00 31.43 O ATOM 1062 OD2 ASP A 211 7.990 -9.894 1.330 1.00 31.04 O ATOM 0 H ASP A 211 6.438 -8.082 -0.240 1.00 1.34 H new ATOM 0 HA ASP A 211 8.802 -6.462 0.181 1.00 11.34 H new ATOM 0 HB2 ASP A 211 8.356 -9.214 -1.067 1.00 1.11 H new ATOM 0 HB3 ASP A 211 9.933 -8.510 -0.770 1.00 1.11 H new ATOM 1067 N THR A 212 7.414 -6.300 -2.651 1.00 52.25 N ATOM 1068 CA THR A 212 7.485 -5.691 -3.989 1.00 13.20 C ATOM 1069 C THR A 212 7.898 -4.216 -3.901 1.00 61.33 C ATOM 1070 O THR A 212 7.477 -3.501 -2.993 1.00 60.51 O ATOM 1071 CB THR A 212 6.124 -5.784 -4.730 1.00 50.22 C ATOM 1072 OG1 THR A 212 5.698 -7.154 -4.814 1.00 33.44 O ATOM 1073 CG2 THR A 212 6.209 -5.196 -6.139 1.00 14.50 C ATOM 0 H THR A 212 6.466 -6.501 -2.333 1.00 52.25 H new ATOM 0 HA THR A 212 8.235 -6.249 -4.549 1.00 13.20 H new ATOM 0 HB THR A 212 5.400 -5.204 -4.158 1.00 50.22 H new ATOM 0 HG1 THR A 212 5.202 -7.393 -4.003 1.00 33.44 H new ATOM 0 HG21 THR A 212 5.238 -5.279 -6.627 1.00 14.50 H new ATOM 0 HG22 THR A 212 6.496 -4.146 -6.078 1.00 14.50 H new ATOM 0 HG23 THR A 212 6.953 -5.743 -6.717 1.00 14.50 H new ATOM 1081 N ASP A 213 8.723 -3.761 -4.842 1.00 13.11 N ATOM 1082 CA ASP A 213 9.163 -2.362 -4.869 1.00 24.54 C ATOM 1083 C ASP A 213 7.975 -1.419 -5.146 1.00 20.20 C ATOM 1084 O ASP A 213 7.224 -1.606 -6.107 1.00 71.35 O ATOM 1085 CB ASP A 213 10.262 -2.182 -5.928 1.00 43.10 C ATOM 1086 CG ASP A 213 10.878 -0.788 -5.947 1.00 24.31 C ATOM 1087 OD1 ASP A 213 10.589 0.024 -5.047 1.00 31.43 O ATOM 1088 OD2 ASP A 213 11.658 -0.496 -6.879 1.00 43.23 O ATOM 0 H ASP A 213 9.101 -4.336 -5.595 1.00 13.11 H new ATOM 0 HA ASP A 213 9.571 -2.103 -3.892 1.00 24.54 H new ATOM 0 HB2 ASP A 213 11.049 -2.914 -5.749 1.00 43.10 H new ATOM 0 HB3 ASP A 213 9.844 -2.398 -6.911 1.00 43.10 H new ATOM 1093 N ILE A 214 7.830 -0.395 -4.306 1.00 55.10 N ATOM 1094 CA ILE A 214 6.689 0.529 -4.376 1.00 14.44 C ATOM 1095 C ILE A 214 6.659 1.302 -5.704 1.00 41.21 C ATOM 1096 O ILE A 214 5.599 1.744 -6.155 1.00 2.11 O ATOM 1097 CB ILE A 214 6.706 1.543 -3.195 1.00 34.55 C ATOM 1098 CG1 ILE A 214 5.382 2.330 -3.125 1.00 3.23 C ATOM 1099 CG2 ILE A 214 7.893 2.502 -3.320 1.00 13.41 C ATOM 1100 CD1 ILE A 214 4.165 1.464 -2.864 1.00 44.43 C ATOM 0 H ILE A 214 8.493 -0.180 -3.561 1.00 55.10 H new ATOM 0 HA ILE A 214 5.791 -0.086 -4.308 1.00 14.44 H new ATOM 0 HB ILE A 214 6.816 0.978 -2.269 1.00 34.55 H new ATOM 0 HG12 ILE A 214 5.458 3.080 -2.337 1.00 3.23 H new ATOM 0 HG13 ILE A 214 5.240 2.866 -4.063 1.00 3.23 H new ATOM 0 HG21 ILE A 214 7.885 3.202 -2.484 1.00 13.41 H new ATOM 0 HG22 ILE A 214 8.823 1.933 -3.308 1.00 13.41 H new ATOM 0 HG23 ILE A 214 7.817 3.055 -4.256 1.00 13.41 H new ATOM 0 HD11 ILE A 214 3.274 2.090 -2.829 1.00 44.43 H new ATOM 0 HD12 ILE A 214 4.062 0.731 -3.664 1.00 44.43 H new ATOM 0 HD13 ILE A 214 4.283 0.948 -1.911 1.00 44.43 H new ATOM 1112 N SER A 215 7.821 1.447 -6.339 1.00 73.24 N ATOM 1113 CA SER A 215 7.915 2.187 -7.612 1.00 31.21 C ATOM 1114 C SER A 215 7.135 1.487 -8.739 1.00 31.31 C ATOM 1115 O SER A 215 6.850 2.088 -9.776 1.00 20.52 O ATOM 1116 CB SER A 215 9.378 2.373 -8.039 1.00 50.24 C ATOM 1117 OG SER A 215 9.974 1.137 -8.395 1.00 60.24 O ATOM 0 H SER A 215 8.707 1.069 -6.003 1.00 73.24 H new ATOM 0 HA SER A 215 7.467 3.166 -7.439 1.00 31.21 H new ATOM 0 HB2 SER A 215 9.427 3.059 -8.884 1.00 50.24 H new ATOM 0 HB3 SER A 215 9.941 2.829 -7.225 1.00 50.24 H new ATOM 0 HG SER A 215 10.625 0.878 -7.710 1.00 60.24 H new ATOM 1123 N TRP A 216 6.793 0.215 -8.532 1.00 13.54 N ATOM 1124 CA TRP A 216 5.966 -0.541 -9.488 1.00 51.41 C ATOM 1125 C TRP A 216 4.482 -0.142 -9.387 1.00 42.45 C ATOM 1126 O TRP A 216 3.668 -0.505 -10.237 1.00 42.33 O ATOM 1127 CB TRP A 216 6.120 -2.050 -9.240 1.00 1.35 C ATOM 1128 CG TRP A 216 7.473 -2.593 -9.616 1.00 63.13 C ATOM 1129 CD1 TRP A 216 8.691 -2.116 -9.225 1.00 23.41 C ATOM 1130 CD2 TRP A 216 7.738 -3.729 -10.449 1.00 54.22 C ATOM 1131 NE1 TRP A 216 9.694 -2.875 -9.775 1.00 10.52 N ATOM 1132 CE2 TRP A 216 9.136 -3.873 -10.529 1.00 1.50 C ATOM 1133 CE3 TRP A 216 6.927 -4.637 -11.139 1.00 3.13 C ATOM 1134 CZ2 TRP A 216 9.740 -4.885 -11.271 1.00 43.33 C ATOM 1135 CZ3 TRP A 216 7.527 -5.644 -11.873 1.00 1.41 C ATOM 1136 CH2 TRP A 216 8.921 -5.759 -11.937 1.00 2.43 C ATOM 0 H TRP A 216 7.074 -0.319 -7.710 1.00 13.54 H new ATOM 0 HA TRP A 216 6.312 -0.301 -10.493 1.00 51.41 H new ATOM 0 HB2 TRP A 216 5.937 -2.256 -8.185 1.00 1.35 H new ATOM 0 HB3 TRP A 216 5.355 -2.582 -9.806 1.00 1.35 H new ATOM 0 HD1 TRP A 216 8.843 -1.265 -8.577 1.00 23.41 H new ATOM 0 HE1 TRP A 216 10.694 -2.721 -9.643 1.00 10.52 H new ATOM 0 HE3 TRP A 216 5.851 -4.553 -11.099 1.00 3.13 H new ATOM 0 HZ2 TRP A 216 10.815 -4.978 -11.320 1.00 43.33 H new ATOM 0 HZ3 TRP A 216 6.910 -6.353 -12.405 1.00 1.41 H new ATOM 0 HH2 TRP A 216 9.360 -6.553 -12.523 1.00 2.43 H new ATOM 1147 N LEU A 217 4.142 0.608 -8.339 1.00 40.30 N ATOM 1148 CA LEU A 217 2.761 1.043 -8.092 1.00 65.43 C ATOM 1149 C LEU A 217 2.626 2.572 -8.221 1.00 75.23 C ATOM 1150 O LEU A 217 1.624 3.159 -7.809 1.00 41.21 O ATOM 1151 CB LEU A 217 2.334 0.590 -6.689 1.00 23.25 C ATOM 1152 CG LEU A 217 2.473 -0.921 -6.425 1.00 63.25 C ATOM 1153 CD1 LEU A 217 2.147 -1.254 -4.973 1.00 41.33 C ATOM 1154 CD2 LEU A 217 1.580 -1.715 -7.379 1.00 30.12 C ATOM 0 H LEU A 217 4.810 0.931 -7.639 1.00 40.30 H new ATOM 0 HA LEU A 217 2.112 0.589 -8.841 1.00 65.43 H new ATOM 0 HB2 LEU A 217 2.929 1.129 -5.952 1.00 23.25 H new ATOM 0 HB3 LEU A 217 1.295 0.878 -6.531 1.00 23.25 H new ATOM 0 HG LEU A 217 3.509 -1.205 -6.608 1.00 63.25 H new ATOM 0 HD11 LEU A 217 2.253 -2.327 -4.813 1.00 41.33 H new ATOM 0 HD12 LEU A 217 2.832 -0.720 -4.315 1.00 41.33 H new ATOM 0 HD13 LEU A 217 1.123 -0.953 -4.752 1.00 41.33 H new ATOM 0 HD21 LEU A 217 1.691 -2.781 -7.179 1.00 30.12 H new ATOM 0 HD22 LEU A 217 0.540 -1.424 -7.231 1.00 30.12 H new ATOM 0 HD23 LEU A 217 1.872 -1.507 -8.408 1.00 30.12 H new ATOM 1166 N THR A 218 3.645 3.201 -8.808 1.00 60.22 N ATOM 1167 CA THR A 218 3.688 4.664 -8.981 1.00 23.04 C ATOM 1168 C THR A 218 2.439 5.213 -9.691 1.00 41.11 C ATOM 1169 O THR A 218 2.146 4.851 -10.829 1.00 40.22 O ATOM 1170 CB THR A 218 4.945 5.091 -9.782 1.00 3.51 C ATOM 1171 OG1 THR A 218 6.134 4.752 -9.052 1.00 12.05 O ATOM 1172 CG2 THR A 218 4.941 6.588 -10.075 1.00 0.40 C ATOM 0 H THR A 218 4.464 2.718 -9.178 1.00 60.22 H new ATOM 0 HA THR A 218 3.724 5.085 -7.976 1.00 23.04 H new ATOM 0 HB THR A 218 4.928 4.556 -10.731 1.00 3.51 H new ATOM 0 HG1 THR A 218 6.470 3.884 -9.359 1.00 12.05 H new ATOM 0 HG21 THR A 218 5.837 6.851 -10.638 1.00 0.40 H new ATOM 0 HG22 THR A 218 4.057 6.842 -10.660 1.00 0.40 H new ATOM 0 HG23 THR A 218 4.926 7.142 -9.137 1.00 0.40 H new ATOM 1180 N GLY A 219 1.711 6.095 -9.004 1.00 4.04 N ATOM 1181 CA GLY A 219 0.548 6.753 -9.593 1.00 55.13 C ATOM 1182 C GLY A 219 -0.759 5.987 -9.407 1.00 1.14 C ATOM 1183 O GLY A 219 -1.840 6.516 -9.680 1.00 33.54 O ATOM 0 H GLY A 219 1.907 6.368 -8.041 1.00 4.04 H new ATOM 0 HA2 GLY A 219 0.442 7.744 -9.152 1.00 55.13 H new ATOM 0 HA3 GLY A 219 0.725 6.896 -10.659 1.00 55.13 H new ATOM 1187 N GLU A 220 -0.671 4.750 -8.931 1.00 70.44 N ATOM 1188 CA GLU A 220 -1.852 3.892 -8.787 1.00 73.44 C ATOM 1189 C GLU A 220 -2.536 4.051 -7.419 1.00 14.21 C ATOM 1190 O GLU A 220 -1.926 4.501 -6.444 1.00 70.42 O ATOM 1191 CB GLU A 220 -1.462 2.425 -9.025 1.00 2.43 C ATOM 1192 CG GLU A 220 -1.052 2.128 -10.468 1.00 55.25 C ATOM 1193 CD GLU A 220 -2.193 2.336 -11.455 1.00 53.20 C ATOM 1194 OE1 GLU A 220 -2.384 3.476 -11.931 1.00 51.42 O ATOM 1195 OE2 GLU A 220 -2.918 1.363 -11.748 1.00 13.22 O ATOM 0 H GLU A 220 0.203 4.315 -8.637 1.00 70.44 H new ATOM 0 HA GLU A 220 -2.577 4.206 -9.538 1.00 73.44 H new ATOM 0 HB2 GLU A 220 -0.638 2.164 -8.361 1.00 2.43 H new ATOM 0 HB3 GLU A 220 -2.303 1.786 -8.756 1.00 2.43 H new ATOM 0 HG2 GLU A 220 -0.216 2.771 -10.744 1.00 55.25 H new ATOM 0 HG3 GLU A 220 -0.699 1.099 -10.537 1.00 55.25 H new ATOM 1202 N GLU A 221 -3.820 3.688 -7.365 1.00 4.23 N ATOM 1203 CA GLU A 221 -4.594 3.743 -6.124 1.00 31.03 C ATOM 1204 C GLU A 221 -4.782 2.337 -5.530 1.00 14.41 C ATOM 1205 O GLU A 221 -5.459 1.481 -6.110 1.00 55.21 O ATOM 1206 CB GLU A 221 -5.960 4.406 -6.368 1.00 20.51 C ATOM 1207 CG GLU A 221 -5.865 5.864 -6.822 1.00 74.31 C ATOM 1208 CD GLU A 221 -7.202 6.593 -6.783 1.00 2.21 C ATOM 1209 OE1 GLU A 221 -7.550 7.152 -5.721 1.00 24.21 O ATOM 1210 OE2 GLU A 221 -7.906 6.624 -7.813 1.00 54.10 O ATOM 0 H GLU A 221 -4.347 3.351 -8.171 1.00 4.23 H new ATOM 0 HA GLU A 221 -4.037 4.345 -5.406 1.00 31.03 H new ATOM 0 HB2 GLU A 221 -6.501 3.835 -7.122 1.00 20.51 H new ATOM 0 HB3 GLU A 221 -6.546 4.358 -5.450 1.00 20.51 H new ATOM 0 HG2 GLU A 221 -5.153 6.390 -6.186 1.00 74.31 H new ATOM 0 HG3 GLU A 221 -5.470 5.897 -7.837 1.00 74.31 H new ATOM 1217 N LEU A 222 -4.189 2.111 -4.359 1.00 55.41 N ATOM 1218 CA LEU A 222 -4.185 0.788 -3.724 1.00 4.20 C ATOM 1219 C LEU A 222 -5.314 0.642 -2.693 1.00 22.10 C ATOM 1220 O LEU A 222 -5.847 1.628 -2.190 1.00 33.43 O ATOM 1221 CB LEU A 222 -2.836 0.546 -3.033 1.00 74.33 C ATOM 1222 CG LEU A 222 -1.591 0.801 -3.900 1.00 3.22 C ATOM 1223 CD1 LEU A 222 -0.319 0.478 -3.121 1.00 71.14 C ATOM 1224 CD2 LEU A 222 -1.656 -0.003 -5.197 1.00 33.23 C ATOM 0 H LEU A 222 -3.701 2.830 -3.825 1.00 55.41 H new ATOM 0 HA LEU A 222 -4.346 0.049 -4.509 1.00 4.20 H new ATOM 0 HB2 LEU A 222 -2.780 1.184 -2.151 1.00 74.33 H new ATOM 0 HB3 LEU A 222 -2.807 -0.486 -2.682 1.00 74.33 H new ATOM 0 HG LEU A 222 -1.570 1.859 -4.163 1.00 3.22 H new ATOM 0 HD11 LEU A 222 0.551 0.665 -3.751 1.00 71.14 H new ATOM 0 HD12 LEU A 222 -0.266 1.108 -2.233 1.00 71.14 H new ATOM 0 HD13 LEU A 222 -0.332 -0.570 -2.822 1.00 71.14 H new ATOM 0 HD21 LEU A 222 -0.765 0.194 -5.793 1.00 33.23 H new ATOM 0 HD22 LEU A 222 -1.708 -1.066 -4.964 1.00 33.23 H new ATOM 0 HD23 LEU A 222 -2.542 0.288 -5.762 1.00 33.23 H new ATOM 1236 N HIS A 223 -5.676 -0.599 -2.383 1.00 21.23 N ATOM 1237 CA HIS A 223 -6.670 -0.884 -1.339 1.00 53.23 C ATOM 1238 C HIS A 223 -6.065 -1.793 -0.258 1.00 4.35 C ATOM 1239 O HIS A 223 -5.601 -2.894 -0.558 1.00 41.03 O ATOM 1240 CB HIS A 223 -7.914 -1.542 -1.951 1.00 72.11 C ATOM 1241 CG HIS A 223 -8.599 -0.693 -2.981 1.00 51.22 C ATOM 1242 ND1 HIS A 223 -9.622 0.181 -2.682 1.00 54.12 N ATOM 1243 CD2 HIS A 223 -8.405 -0.590 -4.318 1.00 24.42 C ATOM 1244 CE1 HIS A 223 -10.024 0.782 -3.783 1.00 24.22 C ATOM 1245 NE2 HIS A 223 -9.303 0.335 -4.789 1.00 23.21 N ATOM 0 H HIS A 223 -5.298 -1.430 -2.838 1.00 21.23 H new ATOM 0 HA HIS A 223 -6.966 0.058 -0.877 1.00 53.23 H new ATOM 0 HB2 HIS A 223 -7.626 -2.489 -2.407 1.00 72.11 H new ATOM 0 HB3 HIS A 223 -8.621 -1.773 -1.154 1.00 72.11 H new ATOM 0 HD2 HIS A 223 -7.679 -1.134 -4.904 1.00 24.42 H new ATOM 0 HE1 HIS A 223 -10.812 1.517 -3.849 1.00 24.22 H new ATOM 0 HE2 HIS A 223 -9.396 0.628 -5.761 1.00 23.21 H new ATOM 1254 N VAL A 224 -6.063 -1.328 0.992 1.00 75.13 N ATOM 1255 CA VAL A 224 -5.465 -2.085 2.099 1.00 10.41 C ATOM 1256 C VAL A 224 -6.496 -2.435 3.183 1.00 4.21 C ATOM 1257 O VAL A 224 -7.308 -1.601 3.584 1.00 21.30 O ATOM 1258 CB VAL A 224 -4.302 -1.296 2.758 1.00 24.10 C ATOM 1259 CG1 VAL A 224 -3.657 -2.102 3.887 1.00 34.14 C ATOM 1260 CG2 VAL A 224 -3.260 -0.896 1.715 1.00 53.11 C ATOM 0 H VAL A 224 -6.467 -0.432 1.266 1.00 75.13 H new ATOM 0 HA VAL A 224 -5.083 -3.008 1.663 1.00 10.41 H new ATOM 0 HB VAL A 224 -4.719 -0.387 3.192 1.00 24.10 H new ATOM 0 HG11 VAL A 224 -2.846 -1.524 4.329 1.00 34.14 H new ATOM 0 HG12 VAL A 224 -4.404 -2.322 4.650 1.00 34.14 H new ATOM 0 HG13 VAL A 224 -3.261 -3.036 3.487 1.00 34.14 H new ATOM 0 HG21 VAL A 224 -2.454 -0.344 2.199 1.00 53.11 H new ATOM 0 HG22 VAL A 224 -2.855 -1.791 1.244 1.00 53.11 H new ATOM 0 HG23 VAL A 224 -3.727 -0.267 0.957 1.00 53.11 H new ATOM 1270 N GLU A 225 -6.454 -3.679 3.651 1.00 42.40 N ATOM 1271 CA GLU A 225 -7.286 -4.117 4.777 1.00 32.44 C ATOM 1272 C GLU A 225 -6.508 -5.070 5.695 1.00 5.21 C ATOM 1273 O GLU A 225 -5.631 -5.810 5.248 1.00 20.34 O ATOM 1274 CB GLU A 225 -8.579 -4.778 4.277 1.00 72.14 C ATOM 1275 CG GLU A 225 -8.365 -5.983 3.364 1.00 4.31 C ATOM 1276 CD GLU A 225 -9.680 -6.577 2.877 1.00 1.53 C ATOM 1277 OE1 GLU A 225 -10.204 -6.113 1.841 1.00 3.42 O ATOM 1278 OE2 GLU A 225 -10.209 -7.495 3.544 1.00 24.44 O ATOM 0 H GLU A 225 -5.851 -4.408 3.269 1.00 42.40 H new ATOM 0 HA GLU A 225 -7.558 -3.235 5.357 1.00 32.44 H new ATOM 0 HB2 GLU A 225 -9.168 -5.092 5.139 1.00 72.14 H new ATOM 0 HB3 GLU A 225 -9.169 -4.034 3.742 1.00 72.14 H new ATOM 0 HG2 GLU A 225 -7.764 -5.684 2.506 1.00 4.31 H new ATOM 0 HG3 GLU A 225 -7.800 -6.746 3.899 1.00 4.31 H new ATOM 1285 N VAL A 226 -6.828 -5.044 6.986 1.00 64.43 N ATOM 1286 CA VAL A 226 -6.085 -5.817 7.987 1.00 70.14 C ATOM 1287 C VAL A 226 -6.613 -7.257 8.107 1.00 62.22 C ATOM 1288 O VAL A 226 -7.824 -7.487 8.115 1.00 51.04 O ATOM 1289 CB VAL A 226 -6.154 -5.130 9.375 1.00 54.21 C ATOM 1290 CG1 VAL A 226 -5.270 -5.850 10.391 1.00 24.33 C ATOM 1291 CG2 VAL A 226 -5.766 -3.656 9.266 1.00 24.45 C ATOM 0 H VAL A 226 -7.598 -4.495 7.368 1.00 64.43 H new ATOM 0 HA VAL A 226 -5.049 -5.857 7.650 1.00 70.14 H new ATOM 0 HB VAL A 226 -7.183 -5.189 9.729 1.00 54.21 H new ATOM 0 HG11 VAL A 226 -5.339 -5.346 11.355 1.00 24.33 H new ATOM 0 HG12 VAL A 226 -5.604 -6.882 10.497 1.00 24.33 H new ATOM 0 HG13 VAL A 226 -4.236 -5.837 10.047 1.00 24.33 H new ATOM 0 HG21 VAL A 226 -5.821 -3.192 10.251 1.00 24.45 H new ATOM 0 HG22 VAL A 226 -4.749 -3.575 8.883 1.00 24.45 H new ATOM 0 HG23 VAL A 226 -6.451 -3.149 8.587 1.00 24.45 H new ATOM 1301 N LEU A 227 -5.694 -8.219 8.204 1.00 25.01 N ATOM 1302 CA LEU A 227 -6.056 -9.634 8.351 1.00 22.43 C ATOM 1303 C LEU A 227 -6.491 -9.947 9.791 1.00 44.42 C ATOM 1304 O LEU A 227 -7.658 -10.250 10.046 1.00 1.12 O ATOM 1305 CB LEU A 227 -4.869 -10.526 7.953 1.00 41.42 C ATOM 1306 CG LEU A 227 -4.353 -10.331 6.514 1.00 2.05 C ATOM 1307 CD1 LEU A 227 -3.130 -11.204 6.249 1.00 73.52 C ATOM 1308 CD2 LEU A 227 -5.456 -10.625 5.501 1.00 4.41 C ATOM 0 H LEU A 227 -4.689 -8.045 8.184 1.00 25.01 H new ATOM 0 HA LEU A 227 -6.898 -9.840 7.690 1.00 22.43 H new ATOM 0 HB2 LEU A 227 -4.047 -10.339 8.645 1.00 41.42 H new ATOM 0 HB3 LEU A 227 -5.161 -11.569 8.079 1.00 41.42 H new ATOM 0 HG LEU A 227 -4.054 -9.289 6.401 1.00 2.05 H new ATOM 0 HD11 LEU A 227 -2.786 -11.047 5.227 1.00 73.52 H new ATOM 0 HD12 LEU A 227 -2.335 -10.937 6.945 1.00 73.52 H new ATOM 0 HD13 LEU A 227 -3.395 -12.252 6.386 1.00 73.52 H new ATOM 0 HD21 LEU A 227 -5.071 -10.481 4.492 1.00 4.41 H new ATOM 0 HD22 LEU A 227 -5.792 -11.655 5.618 1.00 4.41 H new ATOM 0 HD23 LEU A 227 -6.294 -9.949 5.669 1.00 4.41 H new