USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 154 LYS NZ :NH3+ -170:sc=-0.00691 (180deg=-0.14) USER MOD Single : A 163 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.55) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 173 CYS SG : rot 180:sc= -0.235 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.264 USER MOD Single : A 180 SER OG : rot 130:sc= -0.21 USER MOD Single : A 182 LYS NZ :NH3+ -158:sc= 1.15 (180deg=0.803) USER MOD Single : A 183 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.146) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl 161:sc= -0.164 (180deg=-0.776) USER MOD Single : A 194 CYS SG : rot 180:sc= -0.474 USER MOD Single : A 195 CYS SG : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0233) USER MOD Single : A 212 THR OG1 : rot 83:sc= 0.83 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 75:sc= 1.04 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 7.685 15.149 -7.568 1.00 23.41 N ATOM 115 CA LYS A 154 8.084 13.742 -7.705 1.00 74.34 C ATOM 116 C LYS A 154 6.864 12.796 -7.776 1.00 20.51 C ATOM 117 O LYS A 154 5.771 13.145 -7.322 1.00 70.13 O ATOM 118 CB LYS A 154 8.988 13.366 -6.522 1.00 4.45 C ATOM 119 CG LYS A 154 10.238 14.236 -6.418 1.00 12.41 C ATOM 120 CD LYS A 154 11.051 13.920 -5.168 1.00 70.31 C ATOM 121 CE LYS A 154 12.276 14.820 -5.048 1.00 21.52 C ATOM 122 NZ LYS A 154 13.222 14.630 -6.180 1.00 12.53 N ATOM 0 HA LYS A 154 8.626 13.626 -8.643 1.00 74.34 H new ATOM 0 HB2 LYS A 154 8.418 13.449 -5.597 1.00 4.45 H new ATOM 0 HB3 LYS A 154 9.287 12.322 -6.619 1.00 4.45 H new ATOM 0 HG2 LYS A 154 10.859 14.086 -7.302 1.00 12.41 H new ATOM 0 HG3 LYS A 154 9.948 15.287 -6.406 1.00 12.41 H new ATOM 0 HD2 LYS A 154 10.423 14.041 -4.285 1.00 70.31 H new ATOM 0 HD3 LYS A 154 11.367 12.877 -5.194 1.00 70.31 H new ATOM 0 HE2 LYS A 154 11.958 15.862 -5.013 1.00 21.52 H new ATOM 0 HE3 LYS A 154 12.788 14.611 -4.109 1.00 21.52 H new ATOM 0 HZ1 LYS A 154 14.112 15.129 -5.977 1.00 12.53 H new ATOM 0 HZ2 LYS A 154 13.415 13.616 -6.305 1.00 12.53 H new ATOM 0 HZ3 LYS A 154 12.802 15.012 -7.051 1.00 12.53 H new ATOM 136 N PRO A 155 7.040 11.582 -8.347 1.00 42.32 N ATOM 137 CA PRO A 155 5.939 10.607 -8.506 1.00 21.33 C ATOM 138 C PRO A 155 5.387 10.084 -7.165 1.00 23.24 C ATOM 139 O PRO A 155 6.124 9.922 -6.190 1.00 0.11 O ATOM 140 CB PRO A 155 6.588 9.465 -9.307 1.00 72.25 C ATOM 141 CG PRO A 155 8.047 9.583 -9.019 1.00 43.45 C ATOM 142 CD PRO A 155 8.315 11.057 -8.880 1.00 0.20 C ATOM 0 HA PRO A 155 5.075 11.058 -8.994 1.00 21.33 H new ATOM 0 HB2 PRO A 155 6.200 8.494 -8.998 1.00 72.25 H new ATOM 0 HB3 PRO A 155 6.385 9.564 -10.373 1.00 72.25 H new ATOM 0 HG2 PRO A 155 8.311 9.049 -8.106 1.00 43.45 H new ATOM 0 HG3 PRO A 155 8.641 9.151 -9.824 1.00 43.45 H new ATOM 0 HD2 PRO A 155 9.146 11.253 -8.203 1.00 0.20 H new ATOM 0 HD3 PRO A 155 8.570 11.512 -9.837 1.00 0.20 H new ATOM 150 N ILE A 156 4.083 9.803 -7.132 1.00 44.14 N ATOM 151 CA ILE A 156 3.410 9.351 -5.905 1.00 4.42 C ATOM 152 C ILE A 156 2.563 8.086 -6.126 1.00 14.15 C ATOM 153 O ILE A 156 2.307 7.672 -7.261 1.00 22.15 O ATOM 154 CB ILE A 156 2.481 10.454 -5.340 1.00 75.04 C ATOM 155 CG1 ILE A 156 1.425 10.848 -6.393 1.00 33.13 C ATOM 156 CG2 ILE A 156 3.291 11.672 -4.892 1.00 41.13 C ATOM 157 CD1 ILE A 156 0.396 11.840 -5.900 1.00 72.31 C ATOM 0 H ILE A 156 3.467 9.880 -7.942 1.00 44.14 H new ATOM 0 HA ILE A 156 4.208 9.124 -5.198 1.00 4.42 H new ATOM 0 HB ILE A 156 1.965 10.060 -4.464 1.00 75.04 H new ATOM 0 HG12 ILE A 156 1.933 11.270 -7.260 1.00 33.13 H new ATOM 0 HG13 ILE A 156 0.912 9.948 -6.731 1.00 33.13 H new ATOM 0 HG21 ILE A 156 2.617 12.433 -4.499 1.00 41.13 H new ATOM 0 HG22 ILE A 156 3.995 11.375 -4.115 1.00 41.13 H new ATOM 0 HG23 ILE A 156 3.839 12.077 -5.743 1.00 41.13 H new ATOM 0 HD11 ILE A 156 -0.308 12.063 -6.702 1.00 72.31 H new ATOM 0 HD12 ILE A 156 -0.142 11.415 -5.052 1.00 72.31 H new ATOM 0 HD13 ILE A 156 0.895 12.758 -5.590 1.00 72.31 H new ATOM 169 N VAL A 157 2.136 7.483 -5.020 1.00 11.40 N ATOM 170 CA VAL A 157 1.202 6.354 -5.037 1.00 61.23 C ATOM 171 C VAL A 157 0.054 6.607 -4.045 1.00 24.11 C ATOM 172 O VAL A 157 0.285 7.012 -2.904 1.00 54.31 O ATOM 173 CB VAL A 157 1.911 5.021 -4.682 1.00 55.21 C ATOM 174 CG1 VAL A 157 0.928 3.848 -4.712 1.00 45.23 C ATOM 175 CG2 VAL A 157 3.087 4.766 -5.625 1.00 51.43 C ATOM 0 H VAL A 157 2.427 7.762 -4.083 1.00 11.40 H new ATOM 0 HA VAL A 157 0.804 6.268 -6.048 1.00 61.23 H new ATOM 0 HB VAL A 157 2.298 5.107 -3.667 1.00 55.21 H new ATOM 0 HG11 VAL A 157 1.453 2.927 -4.459 1.00 45.23 H new ATOM 0 HG12 VAL A 157 0.132 4.022 -3.988 1.00 45.23 H new ATOM 0 HG13 VAL A 157 0.498 3.759 -5.710 1.00 45.23 H new ATOM 0 HG21 VAL A 157 3.570 3.826 -5.358 1.00 51.43 H new ATOM 0 HG22 VAL A 157 2.725 4.709 -6.651 1.00 51.43 H new ATOM 0 HG23 VAL A 157 3.806 5.581 -5.539 1.00 51.43 H new ATOM 185 N ARG A 158 -1.178 6.368 -4.483 1.00 1.31 N ATOM 186 CA ARG A 158 -2.369 6.713 -3.696 1.00 3.14 C ATOM 187 C ARG A 158 -3.015 5.465 -3.070 1.00 51.41 C ATOM 188 O ARG A 158 -3.651 4.668 -3.755 1.00 2.04 O ATOM 189 CB ARG A 158 -3.357 7.459 -4.604 1.00 71.32 C ATOM 190 CG ARG A 158 -2.797 8.791 -5.117 1.00 42.55 C ATOM 191 CD ARG A 158 -3.442 9.238 -6.426 1.00 65.35 C ATOM 192 NE ARG A 158 -4.884 9.423 -6.317 1.00 23.41 N ATOM 193 CZ ARG A 158 -5.692 9.451 -7.343 1.00 20.44 C ATOM 194 NH1 ARG A 158 -5.233 9.317 -8.547 1.00 64.00 N ATOM 195 NH2 ARG A 158 -6.957 9.618 -7.162 1.00 11.23 N ATOM 0 H ARG A 158 -1.384 5.935 -5.383 1.00 1.31 H new ATOM 0 HA ARG A 158 -2.078 7.358 -2.867 1.00 3.14 H new ATOM 0 HB2 ARG A 158 -3.613 6.826 -5.453 1.00 71.32 H new ATOM 0 HB3 ARG A 158 -4.280 7.645 -4.055 1.00 71.32 H new ATOM 0 HG2 ARG A 158 -2.951 9.560 -4.360 1.00 42.55 H new ATOM 0 HG3 ARG A 158 -1.721 8.696 -5.261 1.00 42.55 H new ATOM 0 HD2 ARG A 158 -2.985 10.173 -6.749 1.00 65.35 H new ATOM 0 HD3 ARG A 158 -3.234 8.498 -7.199 1.00 65.35 H new ATOM 0 HE ARG A 158 -5.285 9.537 -5.386 1.00 23.41 H new ATOM 0 HH11 ARG A 158 -4.233 9.188 -8.700 1.00 64.00 H new ATOM 0 HH12 ARG A 158 -5.872 9.340 -9.342 1.00 64.00 H new ATOM 0 HH21 ARG A 158 -7.327 9.728 -6.218 1.00 11.23 H new ATOM 0 HH22 ARG A 158 -7.588 9.640 -7.963 1.00 11.23 H new ATOM 209 N VAL A 159 -2.846 5.302 -1.757 1.00 3.11 N ATOM 210 CA VAL A 159 -3.294 4.088 -1.057 1.00 10.51 C ATOM 211 C VAL A 159 -4.506 4.348 -0.139 1.00 20.21 C ATOM 212 O VAL A 159 -4.495 5.260 0.691 1.00 73.41 O ATOM 213 CB VAL A 159 -2.140 3.489 -0.209 1.00 71.04 C ATOM 214 CG1 VAL A 159 -2.568 2.182 0.459 1.00 20.52 C ATOM 215 CG2 VAL A 159 -0.892 3.278 -1.065 1.00 5.12 C ATOM 0 H VAL A 159 -2.402 5.994 -1.153 1.00 3.11 H new ATOM 0 HA VAL A 159 -3.598 3.382 -1.830 1.00 10.51 H new ATOM 0 HB VAL A 159 -1.897 4.203 0.578 1.00 71.04 H new ATOM 0 HG11 VAL A 159 -1.740 1.785 1.046 1.00 20.52 H new ATOM 0 HG12 VAL A 159 -3.420 2.370 1.113 1.00 20.52 H new ATOM 0 HG13 VAL A 159 -2.850 1.458 -0.305 1.00 20.52 H new ATOM 0 HG21 VAL A 159 -0.096 2.858 -0.450 1.00 5.12 H new ATOM 0 HG22 VAL A 159 -1.122 2.592 -1.880 1.00 5.12 H new ATOM 0 HG23 VAL A 159 -0.567 4.234 -1.476 1.00 5.12 H new ATOM 225 N PHE A 160 -5.549 3.530 -0.293 1.00 73.33 N ATOM 226 CA PHE A 160 -6.726 3.582 0.586 1.00 34.45 C ATOM 227 C PHE A 160 -6.622 2.532 1.707 1.00 13.03 C ATOM 228 O PHE A 160 -6.645 1.326 1.451 1.00 34.12 O ATOM 229 CB PHE A 160 -8.011 3.352 -0.221 1.00 75.10 C ATOM 230 CG PHE A 160 -8.294 4.424 -1.242 1.00 13.11 C ATOM 231 CD1 PHE A 160 -8.863 5.631 -0.858 1.00 64.14 C ATOM 232 CD2 PHE A 160 -7.994 4.227 -2.583 1.00 51.31 C ATOM 233 CE1 PHE A 160 -9.127 6.617 -1.789 1.00 12.15 C ATOM 234 CE2 PHE A 160 -8.256 5.210 -3.517 1.00 5.44 C ATOM 235 CZ PHE A 160 -8.822 6.406 -3.119 1.00 24.14 C ATOM 0 H PHE A 160 -5.605 2.819 -1.022 1.00 73.33 H new ATOM 0 HA PHE A 160 -6.761 4.573 1.038 1.00 34.45 H new ATOM 0 HB2 PHE A 160 -7.941 2.390 -0.729 1.00 75.10 H new ATOM 0 HB3 PHE A 160 -8.854 3.289 0.467 1.00 75.10 H new ATOM 0 HD1 PHE A 160 -9.102 5.801 0.181 1.00 64.14 H new ATOM 0 HD2 PHE A 160 -7.551 3.294 -2.899 1.00 51.31 H new ATOM 0 HE1 PHE A 160 -9.571 7.551 -1.477 1.00 12.15 H new ATOM 0 HE2 PHE A 160 -8.019 5.044 -4.557 1.00 5.44 H new ATOM 0 HZ PHE A 160 -9.026 7.176 -3.848 1.00 24.14 H new ATOM 245 N LEU A 161 -6.528 3.006 2.948 1.00 51.13 N ATOM 246 CA LEU A 161 -6.353 2.131 4.114 1.00 55.10 C ATOM 247 C LEU A 161 -7.711 1.697 4.710 1.00 72.42 C ATOM 248 O LEU A 161 -8.721 2.387 4.548 1.00 24.41 O ATOM 249 CB LEU A 161 -5.515 2.854 5.184 1.00 55.43 C ATOM 250 CG LEU A 161 -4.101 3.269 4.744 1.00 4.33 C ATOM 251 CD1 LEU A 161 -3.387 4.016 5.866 1.00 74.21 C ATOM 252 CD2 LEU A 161 -3.291 2.051 4.302 1.00 71.25 C ATOM 0 H LEU A 161 -6.570 3.999 3.177 1.00 51.13 H new ATOM 0 HA LEU A 161 -5.833 1.231 3.785 1.00 55.10 H new ATOM 0 HB2 LEU A 161 -6.055 3.746 5.503 1.00 55.43 H new ATOM 0 HB3 LEU A 161 -5.430 2.204 6.055 1.00 55.43 H new ATOM 0 HG LEU A 161 -4.193 3.941 3.891 1.00 4.33 H new ATOM 0 HD11 LEU A 161 -2.388 4.301 5.535 1.00 74.21 H new ATOM 0 HD12 LEU A 161 -3.953 4.911 6.125 1.00 74.21 H new ATOM 0 HD13 LEU A 161 -3.309 3.370 6.741 1.00 74.21 H new ATOM 0 HD21 LEU A 161 -2.294 2.369 3.995 1.00 71.25 H new ATOM 0 HD22 LEU A 161 -3.209 1.348 5.131 1.00 71.25 H new ATOM 0 HD23 LEU A 161 -3.791 1.566 3.464 1.00 71.25 H new ATOM 264 N PRO A 162 -7.752 0.549 5.417 1.00 35.14 N ATOM 265 CA PRO A 162 -9.002 0.013 5.992 1.00 11.52 C ATOM 266 C PRO A 162 -9.600 0.908 7.094 1.00 34.52 C ATOM 267 O PRO A 162 -8.869 1.485 7.906 1.00 40.21 O ATOM 268 CB PRO A 162 -8.578 -1.347 6.571 1.00 14.15 C ATOM 269 CG PRO A 162 -7.110 -1.217 6.807 1.00 64.10 C ATOM 270 CD PRO A 162 -6.598 -0.324 5.708 1.00 30.45 C ATOM 0 HA PRO A 162 -9.788 -0.051 5.240 1.00 11.52 H new ATOM 0 HB2 PRO A 162 -9.110 -1.567 7.497 1.00 14.15 H new ATOM 0 HB3 PRO A 162 -8.797 -2.159 5.877 1.00 14.15 H new ATOM 0 HG2 PRO A 162 -6.908 -0.786 7.788 1.00 64.10 H new ATOM 0 HG3 PRO A 162 -6.621 -2.191 6.780 1.00 64.10 H new ATOM 0 HD2 PRO A 162 -5.729 0.251 6.028 1.00 30.45 H new ATOM 0 HD3 PRO A 162 -6.296 -0.897 4.832 1.00 30.45 H new ATOM 278 N ASN A 163 -10.933 1.005 7.100 1.00 22.33 N ATOM 279 CA ASN A 163 -11.695 1.765 8.107 1.00 54.12 C ATOM 280 C ASN A 163 -11.561 3.291 7.927 1.00 32.02 C ATOM 281 O ASN A 163 -10.984 3.983 8.771 1.00 21.21 O ATOM 282 CB ASN A 163 -11.308 1.351 9.538 1.00 34.44 C ATOM 283 CG ASN A 163 -11.562 -0.124 9.805 1.00 62.45 C ATOM 284 OD1 ASN A 163 -12.435 -0.741 9.202 1.00 42.34 O ATOM 285 ND2 ASN A 163 -10.808 -0.703 10.721 1.00 21.03 N ATOM 0 H ASN A 163 -11.523 0.555 6.400 1.00 22.33 H new ATOM 0 HA ASN A 163 -12.744 1.514 7.948 1.00 54.12 H new ATOM 0 HB2 ASN A 163 -10.253 1.571 9.704 1.00 34.44 H new ATOM 0 HB3 ASN A 163 -11.874 1.949 10.252 1.00 34.44 H new ATOM 0 HD21 ASN A 163 -10.943 -1.689 10.944 1.00 21.03 H new ATOM 0 HD22 ASN A 163 -10.090 -0.164 11.206 1.00 21.03 H new ATOM 292 N LYS A 164 -12.089 3.795 6.804 1.00 71.02 N ATOM 293 CA LYS A 164 -12.204 5.243 6.555 1.00 61.43 C ATOM 294 C LYS A 164 -10.848 5.972 6.604 1.00 74.33 C ATOM 295 O LYS A 164 -10.749 7.084 7.132 1.00 45.24 O ATOM 296 CB LYS A 164 -13.169 5.875 7.573 1.00 2.13 C ATOM 297 CG LYS A 164 -14.588 5.311 7.526 1.00 30.35 C ATOM 298 CD LYS A 164 -15.468 5.944 8.600 1.00 52.11 C ATOM 299 CE LYS A 164 -16.898 5.416 8.569 1.00 14.34 C ATOM 300 NZ LYS A 164 -17.739 6.049 9.620 1.00 72.32 N ATOM 0 H LYS A 164 -12.448 3.216 6.044 1.00 71.02 H new ATOM 0 HA LYS A 164 -12.592 5.359 5.543 1.00 61.43 H new ATOM 0 HB2 LYS A 164 -12.766 5.732 8.576 1.00 2.13 H new ATOM 0 HB3 LYS A 164 -13.211 6.950 7.397 1.00 2.13 H new ATOM 0 HG2 LYS A 164 -15.022 5.492 6.543 1.00 30.35 H new ATOM 0 HG3 LYS A 164 -14.558 4.231 7.667 1.00 30.35 H new ATOM 0 HD2 LYS A 164 -15.034 5.751 9.581 1.00 52.11 H new ATOM 0 HD3 LYS A 164 -15.480 7.025 8.464 1.00 52.11 H new ATOM 0 HE2 LYS A 164 -17.335 5.606 7.589 1.00 14.34 H new ATOM 0 HE3 LYS A 164 -16.890 4.335 8.710 1.00 14.34 H new ATOM 0 HZ1 LYS A 164 -18.705 5.666 9.569 1.00 72.32 H new ATOM 0 HZ2 LYS A 164 -17.335 5.846 10.557 1.00 72.32 H new ATOM 0 HZ3 LYS A 164 -17.766 7.078 9.470 1.00 72.32 H new ATOM 314 N GLN A 165 -9.812 5.364 6.031 1.00 23.11 N ATOM 315 CA GLN A 165 -8.479 5.981 6.004 1.00 51.33 C ATOM 316 C GLN A 165 -7.885 5.997 4.586 1.00 3.23 C ATOM 317 O GLN A 165 -8.200 5.147 3.752 1.00 53.55 O ATOM 318 CB GLN A 165 -7.529 5.243 6.957 1.00 12.40 C ATOM 319 CG GLN A 165 -7.950 5.289 8.421 1.00 13.34 C ATOM 320 CD GLN A 165 -7.997 6.697 8.986 1.00 33.14 C ATOM 321 OE1 GLN A 165 -7.258 7.582 8.560 1.00 10.41 O ATOM 322 NE2 GLN A 165 -8.864 6.913 9.952 1.00 52.25 N ATOM 0 H GLN A 165 -9.864 4.450 5.581 1.00 23.11 H new ATOM 0 HA GLN A 165 -8.593 7.014 6.332 1.00 51.33 H new ATOM 0 HB2 GLN A 165 -7.456 4.201 6.644 1.00 12.40 H new ATOM 0 HB3 GLN A 165 -6.532 5.674 6.864 1.00 12.40 H new ATOM 0 HG2 GLN A 165 -8.933 4.830 8.524 1.00 13.34 H new ATOM 0 HG3 GLN A 165 -7.256 4.691 9.011 1.00 13.34 H new ATOM 0 HE21 GLN A 165 -9.461 6.154 10.280 1.00 52.25 H new ATOM 0 HE22 GLN A 165 -8.939 7.839 10.373 1.00 52.25 H new ATOM 331 N ARG A 166 -7.013 6.969 4.329 1.00 22.43 N ATOM 332 CA ARG A 166 -6.345 7.099 3.029 1.00 72.30 C ATOM 333 C ARG A 166 -5.040 7.898 3.170 1.00 62.12 C ATOM 334 O ARG A 166 -4.947 8.799 4.005 1.00 74.45 O ATOM 335 CB ARG A 166 -7.275 7.780 2.004 1.00 11.24 C ATOM 336 CG ARG A 166 -7.475 9.287 2.209 1.00 21.21 C ATOM 337 CD ARG A 166 -8.153 9.623 3.536 1.00 2.32 C ATOM 338 NE ARG A 166 -9.518 9.111 3.609 1.00 24.03 N ATOM 339 CZ ARG A 166 -10.258 9.143 4.683 1.00 71.30 C ATOM 340 NH1 ARG A 166 -9.780 9.577 5.804 1.00 0.43 N ATOM 341 NH2 ARG A 166 -11.476 8.721 4.637 1.00 2.33 N ATOM 0 H ARG A 166 -6.749 7.684 5.006 1.00 22.43 H new ATOM 0 HA ARG A 166 -6.105 6.098 2.670 1.00 72.30 H new ATOM 0 HB2 ARG A 166 -6.872 7.615 1.005 1.00 11.24 H new ATOM 0 HB3 ARG A 166 -8.249 7.292 2.039 1.00 11.24 H new ATOM 0 HG2 ARG A 166 -6.507 9.786 2.165 1.00 21.21 H new ATOM 0 HG3 ARG A 166 -8.075 9.683 1.390 1.00 21.21 H new ATOM 0 HD2 ARG A 166 -7.567 9.207 4.356 1.00 2.32 H new ATOM 0 HD3 ARG A 166 -8.166 10.705 3.671 1.00 2.32 H new ATOM 0 HE ARG A 166 -9.919 8.702 2.765 1.00 24.03 H new ATOM 0 HH11 ARG A 166 -8.814 9.900 5.856 1.00 0.43 H new ATOM 0 HH12 ARG A 166 -10.369 9.597 6.636 1.00 0.43 H new ATOM 0 HH21 ARG A 166 -11.859 8.363 3.762 1.00 2.33 H new ATOM 0 HH22 ARG A 166 -12.056 8.745 5.476 1.00 2.33 H new ATOM 355 N THR A 167 -4.030 7.560 2.371 1.00 14.31 N ATOM 356 CA THR A 167 -2.758 8.297 2.391 1.00 54.14 C ATOM 357 C THR A 167 -1.994 8.151 1.070 1.00 33.15 C ATOM 358 O THR A 167 -2.072 7.120 0.398 1.00 24.11 O ATOM 359 CB THR A 167 -1.842 7.847 3.558 1.00 64.24 C ATOM 360 OG1 THR A 167 -0.652 8.655 3.593 1.00 44.15 O ATOM 361 CG2 THR A 167 -1.459 6.372 3.432 1.00 4.34 C ATOM 0 H THR A 167 -4.062 6.788 1.705 1.00 14.31 H new ATOM 0 HA THR A 167 -3.023 9.344 2.536 1.00 54.14 H new ATOM 0 HB THR A 167 -2.399 7.976 4.486 1.00 64.24 H new ATOM 0 HG1 THR A 167 -0.081 8.364 4.334 1.00 44.15 H new ATOM 0 HG21 THR A 167 -0.817 6.090 4.266 1.00 4.34 H new ATOM 0 HG22 THR A 167 -2.361 5.760 3.445 1.00 4.34 H new ATOM 0 HG23 THR A 167 -0.926 6.213 2.494 1.00 4.34 H new ATOM 369 N VAL A 168 -1.264 9.197 0.698 1.00 24.35 N ATOM 370 CA VAL A 168 -0.446 9.188 -0.517 1.00 2.42 C ATOM 371 C VAL A 168 1.055 9.164 -0.182 1.00 41.51 C ATOM 372 O VAL A 168 1.567 10.055 0.502 1.00 13.14 O ATOM 373 CB VAL A 168 -0.756 10.419 -1.402 1.00 34.41 C ATOM 374 CG1 VAL A 168 0.122 10.428 -2.649 1.00 55.14 C ATOM 375 CG2 VAL A 168 -2.236 10.459 -1.780 1.00 63.04 C ATOM 0 H VAL A 168 -1.220 10.070 1.223 1.00 24.35 H new ATOM 0 HA VAL A 168 -0.697 8.280 -1.066 1.00 2.42 H new ATOM 0 HB VAL A 168 -0.530 11.315 -0.823 1.00 34.41 H new ATOM 0 HG11 VAL A 168 -0.115 11.303 -3.255 1.00 55.14 H new ATOM 0 HG12 VAL A 168 1.171 10.463 -2.355 1.00 55.14 H new ATOM 0 HG13 VAL A 168 -0.062 9.524 -3.230 1.00 55.14 H new ATOM 0 HG21 VAL A 168 -2.429 11.333 -2.402 1.00 63.04 H new ATOM 0 HG22 VAL A 168 -2.495 9.556 -2.333 1.00 63.04 H new ATOM 0 HG23 VAL A 168 -2.841 10.517 -0.875 1.00 63.04 H new ATOM 385 N VAL A 169 1.755 8.147 -0.679 1.00 50.13 N ATOM 386 CA VAL A 169 3.193 7.981 -0.423 1.00 52.14 C ATOM 387 C VAL A 169 4.012 8.035 -1.731 1.00 0.14 C ATOM 388 O VAL A 169 3.606 7.478 -2.750 1.00 2.22 O ATOM 389 CB VAL A 169 3.477 6.648 0.322 1.00 71.04 C ATOM 390 CG1 VAL A 169 2.999 6.724 1.773 1.00 54.25 C ATOM 391 CG2 VAL A 169 2.813 5.472 -0.397 1.00 44.25 C ATOM 0 H VAL A 169 1.350 7.418 -1.266 1.00 50.13 H new ATOM 0 HA VAL A 169 3.503 8.812 0.211 1.00 52.14 H new ATOM 0 HB VAL A 169 4.555 6.486 0.323 1.00 71.04 H new ATOM 0 HG11 VAL A 169 3.208 5.779 2.275 1.00 54.25 H new ATOM 0 HG12 VAL A 169 3.521 7.531 2.286 1.00 54.25 H new ATOM 0 HG13 VAL A 169 1.926 6.916 1.793 1.00 54.25 H new ATOM 0 HG21 VAL A 169 3.025 4.549 0.142 1.00 44.25 H new ATOM 0 HG22 VAL A 169 1.735 5.630 -0.435 1.00 44.25 H new ATOM 0 HG23 VAL A 169 3.205 5.398 -1.411 1.00 44.25 H new ATOM 401 N PRO A 170 5.173 8.728 -1.723 1.00 54.00 N ATOM 402 CA PRO A 170 6.026 8.884 -2.924 1.00 33.14 C ATOM 403 C PRO A 170 6.550 7.550 -3.498 1.00 32.33 C ATOM 404 O PRO A 170 6.962 6.655 -2.758 1.00 23.13 O ATOM 405 CB PRO A 170 7.198 9.746 -2.422 1.00 12.54 C ATOM 406 CG PRO A 170 6.689 10.410 -1.185 1.00 23.04 C ATOM 407 CD PRO A 170 5.742 9.427 -0.556 1.00 1.31 C ATOM 0 HA PRO A 170 5.462 9.324 -3.746 1.00 33.14 H new ATOM 0 HB2 PRO A 170 8.075 9.134 -2.209 1.00 12.54 H new ATOM 0 HB3 PRO A 170 7.496 10.481 -3.170 1.00 12.54 H new ATOM 0 HG2 PRO A 170 7.507 10.655 -0.507 1.00 23.04 H new ATOM 0 HG3 PRO A 170 6.182 11.345 -1.423 1.00 23.04 H new ATOM 0 HD2 PRO A 170 6.259 8.740 0.114 1.00 1.31 H new ATOM 0 HD3 PRO A 170 4.972 9.927 0.031 1.00 1.31 H new ATOM 415 N ALA A 171 6.554 7.441 -4.828 1.00 32.54 N ATOM 416 CA ALA A 171 7.024 6.228 -5.509 1.00 54.35 C ATOM 417 C ALA A 171 8.556 6.221 -5.664 1.00 62.31 C ATOM 418 O ALA A 171 9.108 6.917 -6.517 1.00 53.25 O ATOM 419 CB ALA A 171 6.353 6.104 -6.873 1.00 62.13 C ATOM 0 H ALA A 171 6.237 8.178 -5.458 1.00 32.54 H new ATOM 0 HA ALA A 171 6.752 5.370 -4.894 1.00 54.35 H new ATOM 0 HB1 ALA A 171 6.707 5.202 -7.372 1.00 62.13 H new ATOM 0 HB2 ALA A 171 5.272 6.047 -6.743 1.00 62.13 H new ATOM 0 HB3 ALA A 171 6.600 6.975 -7.480 1.00 62.13 H new ATOM 425 N ARG A 172 9.234 5.428 -4.832 1.00 15.52 N ATOM 426 CA ARG A 172 10.706 5.340 -4.849 1.00 2.32 C ATOM 427 C ARG A 172 11.176 3.888 -5.040 1.00 51.03 C ATOM 428 O ARG A 172 10.580 2.960 -4.497 1.00 5.30 O ATOM 429 CB ARG A 172 11.276 5.887 -3.529 1.00 52.40 C ATOM 430 CG ARG A 172 10.827 7.309 -3.201 1.00 52.45 C ATOM 431 CD ARG A 172 11.303 7.753 -1.820 1.00 62.24 C ATOM 432 NE ARG A 172 10.821 9.091 -1.482 1.00 23.34 N ATOM 433 CZ ARG A 172 10.714 9.555 -0.264 1.00 22.43 C ATOM 434 NH1 ARG A 172 11.056 8.834 0.754 1.00 61.33 N ATOM 435 NH2 ARG A 172 10.276 10.754 -0.069 1.00 41.22 N ATOM 0 H ARG A 172 8.790 4.833 -4.133 1.00 15.52 H new ATOM 0 HA ARG A 172 11.068 5.935 -5.687 1.00 2.32 H new ATOM 0 HB2 ARG A 172 10.978 5.226 -2.715 1.00 52.40 H new ATOM 0 HB3 ARG A 172 12.365 5.863 -3.577 1.00 52.40 H new ATOM 0 HG2 ARG A 172 11.213 7.994 -3.956 1.00 52.45 H new ATOM 0 HG3 ARG A 172 9.739 7.365 -3.245 1.00 52.45 H new ATOM 0 HD2 ARG A 172 10.956 7.042 -1.070 1.00 62.24 H new ATOM 0 HD3 ARG A 172 12.393 7.741 -1.790 1.00 62.24 H new ATOM 0 HE ARG A 172 10.549 9.705 -2.249 1.00 23.34 H new ATOM 0 HH11 ARG A 172 11.415 7.890 0.613 1.00 61.33 H new ATOM 0 HH12 ARG A 172 10.967 9.210 1.698 1.00 61.33 H new ATOM 0 HH21 ARG A 172 10.014 11.337 -0.864 1.00 41.22 H new ATOM 0 HH22 ARG A 172 10.192 11.118 0.880 1.00 41.22 H new ATOM 449 N CYS A 173 12.248 3.695 -5.809 1.00 53.21 N ATOM 450 CA CYS A 173 12.833 2.357 -5.987 1.00 4.14 C ATOM 451 C CYS A 173 13.611 1.934 -4.738 1.00 2.11 C ATOM 452 O CYS A 173 14.130 2.777 -4.006 1.00 14.35 O ATOM 453 CB CYS A 173 13.758 2.325 -7.205 1.00 14.14 C ATOM 454 SG CYS A 173 14.438 0.690 -7.568 1.00 32.14 S ATOM 0 H CYS A 173 12.729 4.438 -6.316 1.00 53.21 H new ATOM 0 HA CYS A 173 12.014 1.656 -6.148 1.00 4.14 H new ATOM 0 HB2 CYS A 173 13.207 2.680 -8.076 1.00 14.14 H new ATOM 0 HB3 CYS A 173 14.581 3.022 -7.042 1.00 14.14 H new ATOM 0 HG CYS A 173 15.205 0.762 -8.615 1.00 32.14 H new ATOM 460 N GLY A 174 13.683 0.628 -4.484 1.00 43.10 N ATOM 461 CA GLY A 174 14.354 0.130 -3.285 1.00 21.42 C ATOM 462 C GLY A 174 13.437 0.114 -2.064 1.00 51.13 C ATOM 463 O GLY A 174 13.507 -0.789 -1.228 1.00 34.34 O ATOM 0 H GLY A 174 13.290 -0.097 -5.085 1.00 43.10 H new ATOM 0 HA2 GLY A 174 14.722 -0.879 -3.472 1.00 21.42 H new ATOM 0 HA3 GLY A 174 15.223 0.753 -3.074 1.00 21.42 H new ATOM 467 N VAL A 175 12.580 1.125 -1.958 1.00 14.42 N ATOM 468 CA VAL A 175 11.589 1.194 -0.887 1.00 2.21 C ATOM 469 C VAL A 175 10.376 0.311 -1.216 1.00 0.13 C ATOM 470 O VAL A 175 9.639 0.577 -2.166 1.00 73.22 O ATOM 471 CB VAL A 175 11.119 2.651 -0.649 1.00 14.43 C ATOM 472 CG1 VAL A 175 10.119 2.724 0.505 1.00 74.23 C ATOM 473 CG2 VAL A 175 12.315 3.570 -0.394 1.00 40.14 C ATOM 0 H VAL A 175 12.552 1.913 -2.605 1.00 14.42 H new ATOM 0 HA VAL A 175 12.065 0.829 0.023 1.00 2.21 H new ATOM 0 HB VAL A 175 10.613 2.994 -1.551 1.00 14.43 H new ATOM 0 HG11 VAL A 175 9.806 3.758 0.650 1.00 74.23 H new ATOM 0 HG12 VAL A 175 9.249 2.111 0.272 1.00 74.23 H new ATOM 0 HG13 VAL A 175 10.588 2.356 1.417 1.00 74.23 H new ATOM 0 HG21 VAL A 175 11.963 4.588 -0.229 1.00 40.14 H new ATOM 0 HG22 VAL A 175 12.857 3.226 0.487 1.00 40.14 H new ATOM 0 HG23 VAL A 175 12.979 3.551 -1.258 1.00 40.14 H new ATOM 483 N THR A 176 10.186 -0.747 -0.441 1.00 30.14 N ATOM 484 CA THR A 176 9.055 -1.660 -0.644 1.00 55.14 C ATOM 485 C THR A 176 7.744 -1.050 -0.136 1.00 40.22 C ATOM 486 O THR A 176 7.755 -0.127 0.681 1.00 21.21 O ATOM 487 CB THR A 176 9.277 -3.007 0.080 1.00 22.11 C ATOM 488 OG1 THR A 176 9.340 -2.801 1.502 1.00 32.15 O ATOM 489 CG2 THR A 176 10.560 -3.680 -0.398 1.00 32.22 C ATOM 0 H THR A 176 10.797 -1.000 0.336 1.00 30.14 H new ATOM 0 HA THR A 176 8.988 -1.830 -1.719 1.00 55.14 H new ATOM 0 HB THR A 176 8.435 -3.659 -0.155 1.00 22.11 H new ATOM 0 HG1 THR A 176 9.479 -3.661 1.951 1.00 32.15 H new ATOM 0 HG21 THR A 176 10.692 -4.626 0.127 1.00 32.22 H new ATOM 0 HG22 THR A 176 10.496 -3.866 -1.470 1.00 32.22 H new ATOM 0 HG23 THR A 176 11.410 -3.029 -0.193 1.00 32.22 H new ATOM 497 N VAL A 177 6.613 -1.568 -0.620 1.00 23.22 N ATOM 498 CA VAL A 177 5.295 -1.139 -0.129 1.00 43.25 C ATOM 499 C VAL A 177 5.205 -1.310 1.398 1.00 24.42 C ATOM 500 O VAL A 177 4.517 -0.559 2.093 1.00 23.11 O ATOM 501 CB VAL A 177 4.153 -1.939 -0.809 1.00 14.45 C ATOM 502 CG1 VAL A 177 2.783 -1.457 -0.332 1.00 21.04 C ATOM 503 CG2 VAL A 177 4.261 -1.844 -2.331 1.00 11.40 C ATOM 0 H VAL A 177 6.579 -2.282 -1.348 1.00 23.22 H new ATOM 0 HA VAL A 177 5.178 -0.085 -0.381 1.00 43.25 H new ATOM 0 HB VAL A 177 4.258 -2.985 -0.522 1.00 14.45 H new ATOM 0 HG11 VAL A 177 2.002 -2.035 -0.825 1.00 21.04 H new ATOM 0 HG12 VAL A 177 2.706 -1.590 0.747 1.00 21.04 H new ATOM 0 HG13 VAL A 177 2.663 -0.402 -0.577 1.00 21.04 H new ATOM 0 HG21 VAL A 177 3.451 -2.412 -2.789 1.00 11.40 H new ATOM 0 HG22 VAL A 177 4.190 -0.800 -2.636 1.00 11.40 H new ATOM 0 HG23 VAL A 177 5.219 -2.253 -2.654 1.00 11.40 H new ATOM 513 N ARG A 178 5.927 -2.304 1.907 1.00 41.52 N ATOM 514 CA ARG A 178 6.011 -2.559 3.344 1.00 3.22 C ATOM 515 C ARG A 178 6.740 -1.420 4.072 1.00 71.34 C ATOM 516 O ARG A 178 6.258 -0.901 5.080 1.00 34.21 O ATOM 517 CB ARG A 178 6.739 -3.886 3.588 1.00 53.04 C ATOM 518 CG ARG A 178 6.590 -4.429 5.005 1.00 23.22 C ATOM 519 CD ARG A 178 7.520 -5.612 5.245 1.00 64.41 C ATOM 520 NE ARG A 178 7.398 -6.156 6.591 1.00 33.44 N ATOM 521 CZ ARG A 178 8.358 -6.777 7.218 1.00 63.02 C ATOM 522 NH1 ARG A 178 9.517 -6.933 6.662 1.00 10.43 N ATOM 523 NH2 ARG A 178 8.152 -7.248 8.401 1.00 12.20 N ATOM 0 H ARG A 178 6.469 -2.954 1.338 1.00 41.52 H new ATOM 0 HA ARG A 178 4.998 -2.616 3.741 1.00 3.22 H new ATOM 0 HB2 ARG A 178 6.362 -4.629 2.885 1.00 53.04 H new ATOM 0 HB3 ARG A 178 7.799 -3.751 3.372 1.00 53.04 H new ATOM 0 HG2 ARG A 178 6.809 -3.640 5.724 1.00 23.22 H new ATOM 0 HG3 ARG A 178 5.557 -4.735 5.173 1.00 23.22 H new ATOM 0 HD2 ARG A 178 7.301 -6.395 4.519 1.00 64.41 H new ATOM 0 HD3 ARG A 178 8.550 -5.300 5.075 1.00 64.41 H new ATOM 0 HE ARG A 178 6.506 -6.044 7.073 1.00 33.44 H new ATOM 0 HH11 ARG A 178 9.686 -6.568 5.724 1.00 10.43 H new ATOM 0 HH12 ARG A 178 10.261 -7.420 7.162 1.00 10.43 H new ATOM 0 HH21 ARG A 178 7.240 -7.134 8.844 1.00 12.20 H new ATOM 0 HH22 ARG A 178 8.901 -7.734 8.894 1.00 12.20 H new ATOM 537 N ASP A 179 7.902 -1.022 3.550 1.00 32.14 N ATOM 538 CA ASP A 179 8.721 0.006 4.199 1.00 73.23 C ATOM 539 C ASP A 179 8.139 1.419 3.983 1.00 64.20 C ATOM 540 O ASP A 179 8.384 2.334 4.772 1.00 71.53 O ATOM 541 CB ASP A 179 10.163 -0.069 3.683 1.00 31.25 C ATOM 542 CG ASP A 179 11.153 0.544 4.661 1.00 52.03 C ATOM 543 OD1 ASP A 179 11.414 1.760 4.579 1.00 40.32 O ATOM 544 OD2 ASP A 179 11.661 -0.195 5.534 1.00 21.41 O ATOM 0 H ASP A 179 8.296 -1.393 2.685 1.00 32.14 H new ATOM 0 HA ASP A 179 8.716 -0.187 5.272 1.00 73.23 H new ATOM 0 HB2 ASP A 179 10.429 -1.110 3.503 1.00 31.25 H new ATOM 0 HB3 ASP A 179 10.232 0.448 2.726 1.00 31.25 H new ATOM 549 N SER A 180 7.364 1.594 2.918 1.00 52.54 N ATOM 550 CA SER A 180 6.723 2.887 2.640 1.00 73.04 C ATOM 551 C SER A 180 5.548 3.140 3.596 1.00 64.44 C ATOM 552 O SER A 180 5.444 4.206 4.207 1.00 62.12 O ATOM 553 CB SER A 180 6.231 2.947 1.186 1.00 4.20 C ATOM 554 OG SER A 180 5.233 1.971 0.937 1.00 42.35 O ATOM 0 H SER A 180 7.161 0.866 2.233 1.00 52.54 H new ATOM 0 HA SER A 180 7.470 3.665 2.795 1.00 73.04 H new ATOM 0 HB2 SER A 180 5.832 3.939 0.976 1.00 4.20 H new ATOM 0 HB3 SER A 180 7.071 2.791 0.509 1.00 4.20 H new ATOM 0 HG SER A 180 4.461 2.395 0.506 1.00 42.35 H new ATOM 560 N LEU A 181 4.675 2.146 3.739 1.00 3.14 N ATOM 561 CA LEU A 181 3.490 2.269 4.598 1.00 20.10 C ATOM 562 C LEU A 181 3.781 1.924 6.074 1.00 30.54 C ATOM 563 O LEU A 181 2.903 2.070 6.927 1.00 51.55 O ATOM 564 CB LEU A 181 2.364 1.371 4.063 1.00 4.41 C ATOM 565 CG LEU A 181 1.873 1.706 2.641 1.00 63.32 C ATOM 566 CD1 LEU A 181 0.788 0.727 2.198 1.00 21.01 C ATOM 567 CD2 LEU A 181 1.366 3.147 2.569 1.00 22.32 C ATOM 0 H LEU A 181 4.762 1.243 3.272 1.00 3.14 H new ATOM 0 HA LEU A 181 3.182 3.314 4.571 1.00 20.10 H new ATOM 0 HB2 LEU A 181 2.709 0.337 4.076 1.00 4.41 H new ATOM 0 HB3 LEU A 181 1.517 1.433 4.746 1.00 4.41 H new ATOM 0 HG LEU A 181 2.717 1.608 1.958 1.00 63.32 H new ATOM 0 HD11 LEU A 181 0.456 0.982 1.192 1.00 21.01 H new ATOM 0 HD12 LEU A 181 1.189 -0.287 2.202 1.00 21.01 H new ATOM 0 HD13 LEU A 181 -0.057 0.785 2.884 1.00 21.01 H new ATOM 0 HD21 LEU A 181 1.024 3.362 1.557 1.00 22.32 H new ATOM 0 HD22 LEU A 181 0.539 3.277 3.267 1.00 22.32 H new ATOM 0 HD23 LEU A 181 2.173 3.830 2.832 1.00 22.32 H new ATOM 579 N LYS A 182 5.007 1.487 6.380 1.00 22.30 N ATOM 580 CA LYS A 182 5.373 1.092 7.754 1.00 50.24 C ATOM 581 C LYS A 182 5.064 2.211 8.777 1.00 23.44 C ATOM 582 O LYS A 182 4.489 1.952 9.834 1.00 15.40 O ATOM 583 CB LYS A 182 6.862 0.693 7.827 1.00 35.43 C ATOM 584 CG LYS A 182 7.834 1.872 7.811 1.00 54.25 C ATOM 585 CD LYS A 182 9.278 1.441 7.567 1.00 52.11 C ATOM 586 CE LYS A 182 9.778 0.437 8.596 1.00 5.43 C ATOM 587 NZ LYS A 182 11.186 0.038 8.327 1.00 1.04 N ATOM 0 H LYS A 182 5.763 1.396 5.702 1.00 22.30 H new ATOM 0 HA LYS A 182 4.763 0.228 8.017 1.00 50.24 H new ATOM 0 HB2 LYS A 182 7.026 0.115 8.736 1.00 35.43 H new ATOM 0 HB3 LYS A 182 7.091 0.038 6.987 1.00 35.43 H new ATOM 0 HG2 LYS A 182 7.533 2.575 7.035 1.00 54.25 H new ATOM 0 HG3 LYS A 182 7.773 2.401 8.762 1.00 54.25 H new ATOM 0 HD2 LYS A 182 9.358 1.004 6.572 1.00 52.11 H new ATOM 0 HD3 LYS A 182 9.922 2.320 7.582 1.00 52.11 H new ATOM 0 HE2 LYS A 182 9.705 0.870 9.594 1.00 5.43 H new ATOM 0 HE3 LYS A 182 9.140 -0.446 8.585 1.00 5.43 H new ATOM 0 HZ1 LYS A 182 11.379 -0.879 8.777 1.00 1.04 H new ATOM 0 HZ2 LYS A 182 11.334 -0.042 7.301 1.00 1.04 H new ATOM 0 HZ3 LYS A 182 11.830 0.756 8.715 1.00 1.04 H new ATOM 601 N LYS A 183 5.429 3.456 8.452 1.00 63.54 N ATOM 602 CA LYS A 183 5.161 4.592 9.345 1.00 21.23 C ATOM 603 C LYS A 183 3.693 5.050 9.258 1.00 70.14 C ATOM 604 O LYS A 183 3.149 5.609 10.213 1.00 13.40 O ATOM 605 CB LYS A 183 6.113 5.759 9.037 1.00 41.50 C ATOM 606 CG LYS A 183 7.578 5.453 9.358 1.00 2.10 C ATOM 607 CD LYS A 183 8.466 6.696 9.268 1.00 22.52 C ATOM 608 CE LYS A 183 8.620 7.203 7.837 1.00 70.11 C ATOM 609 NZ LYS A 183 9.345 6.230 6.975 1.00 35.22 N ATOM 0 H LYS A 183 5.907 3.703 7.585 1.00 63.54 H new ATOM 0 HA LYS A 183 5.340 4.257 10.367 1.00 21.23 H new ATOM 0 HB2 LYS A 183 6.027 6.019 7.982 1.00 41.50 H new ATOM 0 HB3 LYS A 183 5.799 6.633 9.607 1.00 41.50 H new ATOM 0 HG2 LYS A 183 7.647 5.032 10.361 1.00 2.10 H new ATOM 0 HG3 LYS A 183 7.948 4.695 8.668 1.00 2.10 H new ATOM 0 HD2 LYS A 183 8.042 7.487 9.886 1.00 22.52 H new ATOM 0 HD3 LYS A 183 9.450 6.466 9.676 1.00 22.52 H new ATOM 0 HE2 LYS A 183 7.635 7.398 7.414 1.00 70.11 H new ATOM 0 HE3 LYS A 183 9.157 8.151 7.844 1.00 70.11 H new ATOM 0 HZ1 LYS A 183 9.607 6.688 6.079 1.00 35.22 H new ATOM 0 HZ2 LYS A 183 10.205 5.907 7.463 1.00 35.22 H new ATOM 0 HZ3 LYS A 183 8.731 5.414 6.780 1.00 35.22 H new ATOM 623 N ALA A 184 3.048 4.793 8.119 1.00 24.44 N ATOM 624 CA ALA A 184 1.627 5.121 7.943 1.00 74.25 C ATOM 625 C ALA A 184 0.747 4.243 8.846 1.00 62.40 C ATOM 626 O ALA A 184 -0.261 4.696 9.391 1.00 14.12 O ATOM 627 CB ALA A 184 1.223 4.961 6.481 1.00 73.41 C ATOM 0 H ALA A 184 3.483 4.360 7.305 1.00 24.44 H new ATOM 0 HA ALA A 184 1.477 6.161 8.233 1.00 74.25 H new ATOM 0 HB1 ALA A 184 0.167 5.207 6.366 1.00 73.41 H new ATOM 0 HB2 ALA A 184 1.821 5.630 5.863 1.00 73.41 H new ATOM 0 HB3 ALA A 184 1.391 3.931 6.168 1.00 73.41 H new ATOM 633 N LEU A 185 1.134 2.979 8.993 1.00 4.21 N ATOM 634 CA LEU A 185 0.454 2.061 9.909 1.00 13.53 C ATOM 635 C LEU A 185 0.902 2.305 11.359 1.00 63.20 C ATOM 636 O LEU A 185 0.120 2.130 12.297 1.00 23.01 O ATOM 637 CB LEU A 185 0.721 0.606 9.498 1.00 61.43 C ATOM 638 CG LEU A 185 0.228 0.228 8.090 1.00 3.40 C ATOM 639 CD1 LEU A 185 0.565 -1.225 7.770 1.00 52.23 C ATOM 640 CD2 LEU A 185 -1.275 0.479 7.960 1.00 55.20 C ATOM 0 H LEU A 185 1.917 2.564 8.489 1.00 4.21 H new ATOM 0 HA LEU A 185 -0.618 2.248 9.851 1.00 13.53 H new ATOM 0 HB2 LEU A 185 1.793 0.419 9.554 1.00 61.43 H new ATOM 0 HB3 LEU A 185 0.245 -0.054 10.223 1.00 61.43 H new ATOM 0 HG LEU A 185 0.743 0.861 7.367 1.00 3.40 H new ATOM 0 HD11 LEU A 185 0.207 -1.470 6.770 1.00 52.23 H new ATOM 0 HD12 LEU A 185 1.645 -1.366 7.813 1.00 52.23 H new ATOM 0 HD13 LEU A 185 0.084 -1.879 8.498 1.00 52.23 H new ATOM 0 HD21 LEU A 185 -1.604 0.206 6.958 1.00 55.20 H new ATOM 0 HD22 LEU A 185 -1.809 -0.124 8.694 1.00 55.20 H new ATOM 0 HD23 LEU A 185 -1.484 1.534 8.135 1.00 55.20 H new ATOM 652 N MET A 186 2.157 2.725 11.532 1.00 43.44 N ATOM 653 CA MET A 186 2.694 3.075 12.856 1.00 74.20 C ATOM 654 C MET A 186 1.821 4.136 13.550 1.00 54.33 C ATOM 655 O MET A 186 1.452 3.984 14.715 1.00 11.25 O ATOM 656 CB MET A 186 4.134 3.592 12.721 1.00 61.24 C ATOM 657 CG MET A 186 4.806 3.939 14.046 1.00 31.24 C ATOM 658 SD MET A 186 6.445 4.662 13.823 1.00 31.15 S ATOM 659 CE MET A 186 6.931 4.940 15.527 1.00 34.43 C ATOM 0 H MET A 186 2.826 2.833 10.770 1.00 43.44 H new ATOM 0 HA MET A 186 2.688 2.174 13.470 1.00 74.20 H new ATOM 0 HB2 MET A 186 4.732 2.837 12.211 1.00 61.24 H new ATOM 0 HB3 MET A 186 4.131 4.478 12.086 1.00 61.24 H new ATOM 0 HG2 MET A 186 4.176 4.638 14.597 1.00 31.24 H new ATOM 0 HG3 MET A 186 4.890 3.038 14.654 1.00 31.24 H new ATOM 0 HE1 MET A 186 7.926 5.385 15.554 1.00 34.43 H new ATOM 0 HE2 MET A 186 6.219 5.614 16.003 1.00 34.43 H new ATOM 0 HE3 MET A 186 6.944 3.990 16.061 1.00 34.43 H new ATOM 669 N MET A 187 1.476 5.202 12.822 1.00 11.41 N ATOM 670 CA MET A 187 0.628 6.271 13.373 1.00 21.25 C ATOM 671 C MET A 187 -0.821 5.796 13.618 1.00 52.03 C ATOM 672 O MET A 187 -1.631 6.523 14.193 1.00 71.01 O ATOM 673 CB MET A 187 0.645 7.509 12.459 1.00 54.45 C ATOM 674 CG MET A 187 0.138 7.256 11.043 1.00 21.30 C ATOM 675 SD MET A 187 0.187 8.737 10.008 1.00 31.24 S ATOM 676 CE MET A 187 1.939 9.118 10.039 1.00 22.42 C ATOM 0 H MET A 187 1.767 5.350 11.856 1.00 11.41 H new ATOM 0 HA MET A 187 1.047 6.545 14.341 1.00 21.25 H new ATOM 0 HB2 MET A 187 0.037 8.290 12.915 1.00 54.45 H new ATOM 0 HB3 MET A 187 1.665 7.890 12.404 1.00 54.45 H new ATOM 0 HG2 MET A 187 0.741 6.474 10.580 1.00 21.30 H new ATOM 0 HG3 MET A 187 -0.886 6.884 11.089 1.00 21.30 H new ATOM 0 HE1 MET A 187 2.183 9.775 9.204 1.00 22.42 H new ATOM 0 HE2 MET A 187 2.187 9.615 10.977 1.00 22.42 H new ATOM 0 HE3 MET A 187 2.513 8.196 9.954 1.00 22.42 H new ATOM 686 N ARG A 188 -1.146 4.583 13.162 1.00 74.32 N ATOM 687 CA ARG A 188 -2.445 3.957 13.465 1.00 43.42 C ATOM 688 C ARG A 188 -2.310 2.912 14.587 1.00 31.45 C ATOM 689 O ARG A 188 -3.303 2.496 15.187 1.00 4.52 O ATOM 690 CB ARG A 188 -3.037 3.282 12.215 1.00 0.32 C ATOM 691 CG ARG A 188 -3.302 4.232 11.048 1.00 63.21 C ATOM 692 CD ARG A 188 -4.083 3.547 9.925 1.00 15.01 C ATOM 693 NE ARG A 188 -5.422 3.144 10.362 1.00 42.41 N ATOM 694 CZ ARG A 188 -6.293 2.505 9.621 1.00 74.24 C ATOM 695 NH1 ARG A 188 -6.006 2.143 8.412 1.00 31.20 N ATOM 696 NH2 ARG A 188 -7.465 2.236 10.098 1.00 54.22 N ATOM 0 H ARG A 188 -0.531 4.012 12.582 1.00 74.32 H new ATOM 0 HA ARG A 188 -3.115 4.751 13.796 1.00 43.42 H new ATOM 0 HB2 ARG A 188 -2.355 2.500 11.882 1.00 0.32 H new ATOM 0 HB3 ARG A 188 -3.972 2.794 12.489 1.00 0.32 H new ATOM 0 HG2 ARG A 188 -3.860 5.098 11.404 1.00 63.21 H new ATOM 0 HG3 ARG A 188 -2.354 4.602 10.658 1.00 63.21 H new ATOM 0 HD2 ARG A 188 -4.166 4.224 9.075 1.00 15.01 H new ATOM 0 HD3 ARG A 188 -3.533 2.671 9.582 1.00 15.01 H new ATOM 0 HE ARG A 188 -5.697 3.379 11.316 1.00 42.41 H new ATOM 0 HH11 ARG A 188 -5.088 2.354 8.021 1.00 31.20 H new ATOM 0 HH12 ARG A 188 -6.698 1.646 7.851 1.00 31.20 H new ATOM 0 HH21 ARG A 188 -7.707 2.521 11.047 1.00 54.22 H new ATOM 0 HH22 ARG A 188 -8.147 1.739 9.525 1.00 54.22 H new ATOM 710 N GLY A 189 -1.075 2.493 14.864 1.00 2.14 N ATOM 711 CA GLY A 189 -0.833 1.446 15.852 1.00 62.31 C ATOM 712 C GLY A 189 -0.951 0.041 15.264 1.00 41.05 C ATOM 713 O GLY A 189 -1.315 -0.904 15.964 1.00 33.42 O ATOM 0 H GLY A 189 -0.233 2.861 14.421 1.00 2.14 H new ATOM 0 HA2 GLY A 189 0.163 1.575 16.276 1.00 62.31 H new ATOM 0 HA3 GLY A 189 -1.544 1.554 16.671 1.00 62.31 H new ATOM 717 N LEU A 190 -0.633 -0.099 13.977 1.00 25.20 N ATOM 718 CA LEU A 190 -0.745 -1.386 13.272 1.00 54.21 C ATOM 719 C LEU A 190 0.617 -1.849 12.723 1.00 0.52 C ATOM 720 O LEU A 190 1.606 -1.118 12.788 1.00 22.54 O ATOM 721 CB LEU A 190 -1.750 -1.264 12.113 1.00 11.41 C ATOM 722 CG LEU A 190 -3.181 -0.858 12.511 1.00 30.01 C ATOM 723 CD1 LEU A 190 -4.061 -0.689 11.273 1.00 10.33 C ATOM 724 CD2 LEU A 190 -3.791 -1.880 13.472 1.00 42.53 C ATOM 0 H LEU A 190 -0.293 0.666 13.394 1.00 25.20 H new ATOM 0 HA LEU A 190 -1.095 -2.129 13.989 1.00 54.21 H new ATOM 0 HB2 LEU A 190 -1.369 -0.532 11.401 1.00 11.41 H new ATOM 0 HB3 LEU A 190 -1.795 -2.221 11.593 1.00 11.41 H new ATOM 0 HG LEU A 190 -3.128 0.101 13.025 1.00 30.01 H new ATOM 0 HD11 LEU A 190 -5.067 -0.402 11.578 1.00 10.33 H new ATOM 0 HD12 LEU A 190 -3.642 0.086 10.632 1.00 10.33 H new ATOM 0 HD13 LEU A 190 -4.103 -1.630 10.725 1.00 10.33 H new ATOM 0 HD21 LEU A 190 -4.802 -1.571 13.738 1.00 42.53 H new ATOM 0 HD22 LEU A 190 -3.825 -2.857 12.990 1.00 42.53 H new ATOM 0 HD23 LEU A 190 -3.181 -1.941 14.373 1.00 42.53 H new ATOM 736 N ILE A 191 0.656 -3.069 12.181 1.00 63.55 N ATOM 737 CA ILE A 191 1.864 -3.610 11.538 1.00 44.41 C ATOM 738 C ILE A 191 1.548 -4.103 10.114 1.00 54.32 C ATOM 739 O ILE A 191 0.451 -4.602 9.860 1.00 42.22 O ATOM 740 CB ILE A 191 2.477 -4.778 12.359 1.00 34.44 C ATOM 741 CG1 ILE A 191 1.445 -5.905 12.564 1.00 13.43 C ATOM 742 CG2 ILE A 191 3.001 -4.272 13.700 1.00 64.11 C ATOM 743 CD1 ILE A 191 1.989 -7.110 13.309 1.00 5.32 C ATOM 0 H ILE A 191 -0.139 -3.707 12.173 1.00 63.55 H new ATOM 0 HA ILE A 191 2.591 -2.799 11.491 1.00 44.41 H new ATOM 0 HB ILE A 191 3.316 -5.188 11.796 1.00 34.44 H new ATOM 0 HG12 ILE A 191 0.591 -5.507 13.112 1.00 13.43 H new ATOM 0 HG13 ILE A 191 1.077 -6.228 11.590 1.00 13.43 H new ATOM 0 HG21 ILE A 191 3.427 -5.104 14.262 1.00 64.11 H new ATOM 0 HG22 ILE A 191 3.770 -3.518 13.529 1.00 64.11 H new ATOM 0 HG23 ILE A 191 2.181 -3.832 14.268 1.00 64.11 H new ATOM 0 HD11 ILE A 191 1.203 -7.858 13.413 1.00 5.32 H new ATOM 0 HD12 ILE A 191 2.824 -7.535 12.752 1.00 5.32 H new ATOM 0 HD13 ILE A 191 2.331 -6.803 14.297 1.00 5.32 H new ATOM 755 N PRO A 192 2.502 -3.980 9.168 1.00 10.23 N ATOM 756 CA PRO A 192 2.280 -4.365 7.758 1.00 23.13 C ATOM 757 C PRO A 192 1.793 -5.816 7.584 1.00 55.32 C ATOM 758 O PRO A 192 0.895 -6.082 6.786 1.00 35.21 O ATOM 759 CB PRO A 192 3.659 -4.172 7.112 1.00 52.04 C ATOM 760 CG PRO A 192 4.348 -3.174 7.983 1.00 73.11 C ATOM 761 CD PRO A 192 3.865 -3.454 9.383 1.00 2.30 C ATOM 0 HA PRO A 192 1.490 -3.766 7.305 1.00 23.13 H new ATOM 0 HB2 PRO A 192 4.212 -5.110 7.071 1.00 52.04 H new ATOM 0 HB3 PRO A 192 3.570 -3.809 6.088 1.00 52.04 H new ATOM 0 HG2 PRO A 192 5.431 -3.276 7.915 1.00 73.11 H new ATOM 0 HG3 PRO A 192 4.104 -2.156 7.681 1.00 73.11 H new ATOM 0 HD2 PRO A 192 4.501 -4.178 9.892 1.00 2.30 H new ATOM 0 HD3 PRO A 192 3.857 -2.552 9.995 1.00 2.30 H new ATOM 769 N GLU A 193 2.375 -6.746 8.342 1.00 4.11 N ATOM 770 CA GLU A 193 2.003 -8.170 8.259 1.00 22.04 C ATOM 771 C GLU A 193 0.542 -8.424 8.679 1.00 20.14 C ATOM 772 O GLU A 193 0.006 -9.512 8.468 1.00 51.22 O ATOM 773 CB GLU A 193 2.943 -9.033 9.121 1.00 34.24 C ATOM 774 CG GLU A 193 4.393 -9.082 8.634 1.00 11.52 C ATOM 775 CD GLU A 193 5.176 -7.811 8.935 1.00 75.12 C ATOM 776 OE1 GLU A 193 5.140 -6.870 8.121 1.00 34.01 O ATOM 777 OE2 GLU A 193 5.847 -7.751 9.986 1.00 73.25 O ATOM 0 H GLU A 193 3.107 -6.544 9.023 1.00 4.11 H new ATOM 0 HA GLU A 193 2.103 -8.454 7.211 1.00 22.04 H new ATOM 0 HB2 GLU A 193 2.930 -8.652 10.142 1.00 34.24 H new ATOM 0 HB3 GLU A 193 2.551 -10.050 9.155 1.00 34.24 H new ATOM 0 HG2 GLU A 193 4.896 -9.929 9.100 1.00 11.52 H new ATOM 0 HG3 GLU A 193 4.401 -9.259 7.558 1.00 11.52 H new ATOM 784 N CYS A 194 -0.096 -7.422 9.281 1.00 31.24 N ATOM 785 CA CYS A 194 -1.499 -7.538 9.710 1.00 15.30 C ATOM 786 C CYS A 194 -2.467 -7.079 8.607 1.00 32.55 C ATOM 787 O CYS A 194 -3.680 -7.252 8.718 1.00 34.04 O ATOM 788 CB CYS A 194 -1.737 -6.716 10.983 1.00 22.35 C ATOM 789 SG CYS A 194 -3.416 -6.844 11.642 1.00 71.23 S ATOM 0 H CYS A 194 0.331 -6.519 9.485 1.00 31.24 H new ATOM 0 HA CYS A 194 -1.693 -8.591 9.916 1.00 15.30 H new ATOM 0 HB2 CYS A 194 -1.032 -7.040 11.749 1.00 22.35 H new ATOM 0 HB3 CYS A 194 -1.520 -5.669 10.772 1.00 22.35 H new ATOM 0 HG CYS A 194 -3.517 -6.118 12.715 1.00 71.23 H new ATOM 795 N CYS A 195 -1.927 -6.500 7.538 1.00 53.02 N ATOM 796 CA CYS A 195 -2.751 -5.965 6.445 1.00 52.25 C ATOM 797 C CYS A 195 -2.380 -6.584 5.085 1.00 64.24 C ATOM 798 O CYS A 195 -1.394 -7.308 4.961 1.00 23.23 O ATOM 799 CB CYS A 195 -2.604 -4.441 6.383 1.00 15.22 C ATOM 800 SG CYS A 195 -3.166 -3.581 7.872 1.00 40.54 S ATOM 0 H CYS A 195 -0.923 -6.387 7.400 1.00 53.02 H new ATOM 0 HA CYS A 195 -3.788 -6.229 6.653 1.00 52.25 H new ATOM 0 HB2 CYS A 195 -1.557 -4.195 6.208 1.00 15.22 H new ATOM 0 HB3 CYS A 195 -3.166 -4.067 5.527 1.00 15.22 H new ATOM 0 HG CYS A 195 -2.999 -2.300 7.723 1.00 40.54 H new ATOM 806 N ALA A 196 -3.181 -6.291 4.062 1.00 12.52 N ATOM 807 CA ALA A 196 -2.937 -6.797 2.707 1.00 71.44 C ATOM 808 C ALA A 196 -3.315 -5.756 1.648 1.00 65.32 C ATOM 809 O ALA A 196 -4.413 -5.198 1.678 1.00 23.41 O ATOM 810 CB ALA A 196 -3.717 -8.086 2.474 1.00 60.24 C ATOM 0 H ALA A 196 -4.010 -5.702 4.144 1.00 12.52 H new ATOM 0 HA ALA A 196 -1.871 -7.003 2.615 1.00 71.44 H new ATOM 0 HB1 ALA A 196 -3.526 -8.449 1.464 1.00 60.24 H new ATOM 0 HB2 ALA A 196 -3.401 -8.838 3.196 1.00 60.24 H new ATOM 0 HB3 ALA A 196 -4.783 -7.893 2.594 1.00 60.24 H new ATOM 816 N VAL A 197 -2.403 -5.499 0.717 1.00 14.13 N ATOM 817 CA VAL A 197 -2.644 -4.543 -0.366 1.00 41.12 C ATOM 818 C VAL A 197 -3.145 -5.256 -1.632 1.00 61.22 C ATOM 819 O VAL A 197 -2.467 -6.130 -2.160 1.00 12.15 O ATOM 820 CB VAL A 197 -1.351 -3.758 -0.716 1.00 65.42 C ATOM 821 CG1 VAL A 197 -1.616 -2.725 -1.810 1.00 40.53 C ATOM 822 CG2 VAL A 197 -0.763 -3.093 0.528 1.00 5.01 C ATOM 0 H VAL A 197 -1.484 -5.940 0.688 1.00 14.13 H new ATOM 0 HA VAL A 197 -3.407 -3.849 -0.014 1.00 41.12 H new ATOM 0 HB VAL A 197 -0.620 -4.471 -1.097 1.00 65.42 H new ATOM 0 HG11 VAL A 197 -0.694 -2.189 -2.036 1.00 40.53 H new ATOM 0 HG12 VAL A 197 -1.972 -3.230 -2.708 1.00 40.53 H new ATOM 0 HG13 VAL A 197 -2.372 -2.018 -1.467 1.00 40.53 H new ATOM 0 HG21 VAL A 197 0.142 -2.549 0.257 1.00 5.01 H new ATOM 0 HG22 VAL A 197 -1.491 -2.399 0.948 1.00 5.01 H new ATOM 0 HG23 VAL A 197 -0.520 -3.856 1.268 1.00 5.01 H new ATOM 832 N TYR A 198 -4.330 -4.890 -2.111 1.00 75.25 N ATOM 833 CA TYR A 198 -4.865 -5.450 -3.360 1.00 42.03 C ATOM 834 C TYR A 198 -5.397 -4.345 -4.282 1.00 14.22 C ATOM 835 O TYR A 198 -5.931 -3.330 -3.822 1.00 4.21 O ATOM 836 CB TYR A 198 -5.973 -6.484 -3.072 1.00 61.13 C ATOM 837 CG TYR A 198 -7.266 -5.900 -2.509 1.00 22.33 C ATOM 838 CD1 TYR A 198 -7.338 -5.448 -1.193 1.00 71.14 C ATOM 839 CD2 TYR A 198 -8.416 -5.808 -3.296 1.00 42.23 C ATOM 840 CE1 TYR A 198 -8.511 -4.923 -0.680 1.00 61.35 C ATOM 841 CE2 TYR A 198 -9.588 -5.283 -2.788 1.00 12.22 C ATOM 842 CZ TYR A 198 -9.631 -4.841 -1.482 1.00 14.12 C ATOM 843 OH TYR A 198 -10.805 -4.320 -0.976 1.00 61.44 O ATOM 0 H TYR A 198 -4.941 -4.210 -1.659 1.00 75.25 H new ATOM 0 HA TYR A 198 -4.044 -5.955 -3.870 1.00 42.03 H new ATOM 0 HB2 TYR A 198 -6.203 -7.015 -3.996 1.00 61.13 H new ATOM 0 HB3 TYR A 198 -5.588 -7.221 -2.368 1.00 61.13 H new ATOM 0 HD1 TYR A 198 -6.463 -5.508 -0.562 1.00 71.14 H new ATOM 0 HD2 TYR A 198 -8.388 -6.153 -4.319 1.00 42.23 H new ATOM 0 HE1 TYR A 198 -8.550 -4.579 0.343 1.00 61.35 H new ATOM 0 HE2 TYR A 198 -10.468 -5.219 -3.411 1.00 12.22 H new ATOM 0 HH TYR A 198 -11.495 -4.333 -1.671 1.00 61.44 H new ATOM 853 N ARG A 199 -5.237 -4.537 -5.588 1.00 52.42 N ATOM 854 CA ARG A 199 -5.750 -3.580 -6.571 1.00 14.43 C ATOM 855 C ARG A 199 -6.708 -4.258 -7.555 1.00 70.42 C ATOM 856 O ARG A 199 -6.713 -5.484 -7.696 1.00 11.14 O ATOM 857 CB ARG A 199 -4.599 -2.922 -7.344 1.00 2.51 C ATOM 858 CG ARG A 199 -3.856 -3.874 -8.279 1.00 32.31 C ATOM 859 CD ARG A 199 -2.726 -3.171 -9.018 1.00 4.50 C ATOM 860 NE ARG A 199 -2.050 -4.055 -9.962 1.00 74.44 N ATOM 861 CZ ARG A 199 -1.024 -3.708 -10.691 1.00 4.25 C ATOM 862 NH1 ARG A 199 -0.522 -2.517 -10.602 1.00 54.32 N ATOM 863 NH2 ARG A 199 -0.502 -4.560 -11.511 1.00 23.25 N ATOM 0 H ARG A 199 -4.759 -5.342 -5.992 1.00 52.42 H new ATOM 0 HA ARG A 199 -6.297 -2.812 -6.024 1.00 14.43 H new ATOM 0 HB2 ARG A 199 -4.995 -2.091 -7.928 1.00 2.51 H new ATOM 0 HB3 ARG A 199 -3.890 -2.501 -6.631 1.00 2.51 H new ATOM 0 HG2 ARG A 199 -3.452 -4.707 -7.704 1.00 32.31 H new ATOM 0 HG3 ARG A 199 -4.556 -4.295 -9.001 1.00 32.31 H new ATOM 0 HD2 ARG A 199 -3.125 -2.309 -9.552 1.00 4.50 H new ATOM 0 HD3 ARG A 199 -2.003 -2.792 -8.296 1.00 4.50 H new ATOM 0 HE ARG A 199 -2.403 -5.007 -10.059 1.00 74.44 H new ATOM 0 HH11 ARG A 199 -0.928 -1.839 -9.957 1.00 54.32 H new ATOM 0 HH12 ARG A 199 0.280 -2.257 -11.177 1.00 54.32 H new ATOM 0 HH21 ARG A 199 -0.892 -5.500 -11.587 1.00 23.25 H new ATOM 0 HH22 ARG A 199 0.300 -4.293 -12.082 1.00 23.25 H new ATOM 877 N ILE A 200 -7.519 -3.451 -8.234 1.00 43.12 N ATOM 878 CA ILE A 200 -8.453 -3.962 -9.237 1.00 15.15 C ATOM 879 C ILE A 200 -8.015 -3.545 -10.648 1.00 70.41 C ATOM 880 O ILE A 200 -8.198 -2.397 -11.058 1.00 65.13 O ATOM 881 CB ILE A 200 -9.901 -3.473 -8.965 1.00 61.34 C ATOM 882 CG1 ILE A 200 -10.340 -3.880 -7.545 1.00 13.23 C ATOM 883 CG2 ILE A 200 -10.867 -4.033 -10.014 1.00 50.15 C ATOM 884 CD1 ILE A 200 -11.750 -3.463 -7.188 1.00 53.01 C ATOM 0 H ILE A 200 -7.549 -2.439 -8.109 1.00 43.12 H new ATOM 0 HA ILE A 200 -8.443 -5.050 -9.169 1.00 15.15 H new ATOM 0 HB ILE A 200 -9.921 -2.385 -9.036 1.00 61.34 H new ATOM 0 HG12 ILE A 200 -10.258 -4.963 -7.448 1.00 13.23 H new ATOM 0 HG13 ILE A 200 -9.650 -3.442 -6.824 1.00 13.23 H new ATOM 0 HG21 ILE A 200 -11.876 -3.678 -9.805 1.00 50.15 H new ATOM 0 HG22 ILE A 200 -10.562 -3.697 -11.005 1.00 50.15 H new ATOM 0 HG23 ILE A 200 -10.851 -5.122 -9.979 1.00 50.15 H new ATOM 0 HD11 ILE A 200 -11.979 -3.788 -6.173 1.00 53.01 H new ATOM 0 HD12 ILE A 200 -11.835 -2.378 -7.250 1.00 53.01 H new ATOM 0 HD13 ILE A 200 -12.452 -3.922 -7.883 1.00 53.01 H new ATOM 896 N GLN A 201 -7.403 -4.482 -11.370 1.00 1.23 N ATOM 897 CA GLN A 201 -6.928 -4.237 -12.736 1.00 54.44 C ATOM 898 C GLN A 201 -7.605 -5.200 -13.723 1.00 44.55 C ATOM 899 O GLN A 201 -7.534 -6.419 -13.555 1.00 35.35 O ATOM 900 CB GLN A 201 -5.403 -4.400 -12.799 1.00 54.12 C ATOM 901 CG GLN A 201 -4.807 -4.103 -14.169 1.00 63.13 C ATOM 902 CD GLN A 201 -3.297 -4.254 -14.201 1.00 12.11 C ATOM 903 OE1 GLN A 201 -2.722 -5.059 -13.478 1.00 65.24 O ATOM 904 NE2 GLN A 201 -2.642 -3.484 -15.042 1.00 63.32 N ATOM 0 H GLN A 201 -7.222 -5.427 -11.030 1.00 1.23 H new ATOM 0 HA GLN A 201 -7.188 -3.216 -13.017 1.00 54.44 H new ATOM 0 HB2 GLN A 201 -4.946 -3.738 -12.063 1.00 54.12 H new ATOM 0 HB3 GLN A 201 -5.144 -5.420 -12.514 1.00 54.12 H new ATOM 0 HG2 GLN A 201 -5.250 -4.773 -14.906 1.00 63.13 H new ATOM 0 HG3 GLN A 201 -5.072 -3.087 -14.463 1.00 63.13 H new ATOM 0 HE21 GLN A 201 -3.150 -2.824 -15.631 1.00 63.32 H new ATOM 0 HE22 GLN A 201 -1.626 -3.547 -15.106 1.00 63.32 H new ATOM 913 N ASP A 202 -8.262 -4.648 -14.745 1.00 22.33 N ATOM 914 CA ASP A 202 -9.047 -5.443 -15.701 1.00 2.43 C ATOM 915 C ASP A 202 -10.152 -6.235 -14.981 1.00 0.31 C ATOM 916 O ASP A 202 -10.557 -7.313 -15.423 1.00 41.22 O ATOM 917 CB ASP A 202 -8.134 -6.386 -16.500 1.00 44.10 C ATOM 918 CG ASP A 202 -7.167 -5.631 -17.395 1.00 23.04 C ATOM 919 OD1 ASP A 202 -7.531 -5.329 -18.550 1.00 74.51 O ATOM 920 OD2 ASP A 202 -6.043 -5.329 -16.948 1.00 71.05 O ATOM 0 H ASP A 202 -8.268 -3.646 -14.935 1.00 22.33 H new ATOM 0 HA ASP A 202 -9.525 -4.757 -16.400 1.00 2.43 H new ATOM 0 HB2 ASP A 202 -7.571 -7.015 -15.810 1.00 44.10 H new ATOM 0 HB3 ASP A 202 -8.746 -7.051 -17.110 1.00 44.10 H new ATOM 925 N GLY A 203 -10.648 -5.676 -13.877 1.00 10.33 N ATOM 926 CA GLY A 203 -11.658 -6.354 -13.065 1.00 32.05 C ATOM 927 C GLY A 203 -11.065 -7.344 -12.062 1.00 43.34 C ATOM 928 O GLY A 203 -11.757 -7.808 -11.153 1.00 75.02 O ATOM 0 H GLY A 203 -10.368 -4.760 -13.526 1.00 10.33 H new ATOM 0 HA2 GLY A 203 -12.242 -5.608 -12.526 1.00 32.05 H new ATOM 0 HA3 GLY A 203 -12.347 -6.883 -13.723 1.00 32.05 H new ATOM 932 N GLU A 204 -9.781 -7.655 -12.218 1.00 24.41 N ATOM 933 CA GLU A 204 -9.105 -8.649 -11.378 1.00 75.12 C ATOM 934 C GLU A 204 -8.611 -8.048 -10.053 1.00 13.11 C ATOM 935 O GLU A 204 -7.803 -7.116 -10.044 1.00 51.34 O ATOM 936 CB GLU A 204 -7.913 -9.247 -12.130 1.00 65.35 C ATOM 937 CG GLU A 204 -8.274 -9.905 -13.457 1.00 42.33 C ATOM 938 CD GLU A 204 -7.056 -10.470 -14.166 1.00 42.04 C ATOM 939 OE1 GLU A 204 -6.562 -11.540 -13.746 1.00 21.44 O ATOM 940 OE2 GLU A 204 -6.583 -9.853 -15.142 1.00 72.33 O ATOM 0 H GLU A 204 -9.180 -7.230 -12.924 1.00 24.41 H new ATOM 0 HA GLU A 204 -9.836 -9.424 -11.148 1.00 75.12 H new ATOM 0 HB2 GLU A 204 -7.183 -8.459 -12.315 1.00 65.35 H new ATOM 0 HB3 GLU A 204 -7.429 -9.986 -11.491 1.00 65.35 H new ATOM 0 HG2 GLU A 204 -8.993 -10.705 -13.280 1.00 42.33 H new ATOM 0 HG3 GLU A 204 -8.762 -9.174 -14.102 1.00 42.33 H new ATOM 947 N LYS A 205 -9.100 -8.592 -8.940 1.00 14.51 N ATOM 948 CA LYS A 205 -8.606 -8.226 -7.605 1.00 64.30 C ATOM 949 C LYS A 205 -7.384 -9.075 -7.232 1.00 50.42 C ATOM 950 O LYS A 205 -7.516 -10.242 -6.847 1.00 32.55 O ATOM 951 CB LYS A 205 -9.711 -8.417 -6.554 1.00 4.02 C ATOM 952 CG LYS A 205 -10.884 -7.454 -6.701 1.00 72.53 C ATOM 953 CD LYS A 205 -12.080 -7.894 -5.862 1.00 21.23 C ATOM 954 CE LYS A 205 -13.259 -6.944 -6.017 1.00 1.24 C ATOM 955 NZ LYS A 205 -14.502 -7.515 -5.438 1.00 72.14 N ATOM 0 H LYS A 205 -9.842 -9.292 -8.932 1.00 14.51 H new ATOM 0 HA LYS A 205 -8.313 -7.176 -7.626 1.00 64.30 H new ATOM 0 HB2 LYS A 205 -10.084 -9.439 -6.617 1.00 4.02 H new ATOM 0 HB3 LYS A 205 -9.278 -8.296 -5.561 1.00 4.02 H new ATOM 0 HG2 LYS A 205 -10.575 -6.454 -6.398 1.00 72.53 H new ATOM 0 HG3 LYS A 205 -11.177 -7.393 -7.749 1.00 72.53 H new ATOM 0 HD2 LYS A 205 -12.382 -8.899 -6.158 1.00 21.23 H new ATOM 0 HD3 LYS A 205 -11.789 -7.944 -4.813 1.00 21.23 H new ATOM 0 HE2 LYS A 205 -13.031 -5.997 -5.528 1.00 1.24 H new ATOM 0 HE3 LYS A 205 -13.416 -6.727 -7.074 1.00 1.24 H new ATOM 0 HZ1 LYS A 205 -15.284 -6.841 -5.562 1.00 72.14 H new ATOM 0 HZ2 LYS A 205 -14.733 -8.406 -5.922 1.00 72.14 H new ATOM 0 HZ3 LYS A 205 -14.360 -7.699 -4.424 1.00 72.14 H new ATOM 969 N LYS A 206 -6.194 -8.497 -7.358 1.00 41.22 N ATOM 970 CA LYS A 206 -4.953 -9.230 -7.076 1.00 52.43 C ATOM 971 C LYS A 206 -4.125 -8.534 -5.979 1.00 54.42 C ATOM 972 O LYS A 206 -3.756 -7.364 -6.117 1.00 32.44 O ATOM 973 CB LYS A 206 -4.119 -9.373 -8.360 1.00 50.32 C ATOM 974 CG LYS A 206 -2.995 -10.406 -8.262 1.00 21.34 C ATOM 975 CD LYS A 206 -3.539 -11.816 -8.012 1.00 62.33 C ATOM 976 CE LYS A 206 -2.438 -12.873 -8.036 1.00 63.20 C ATOM 977 NZ LYS A 206 -1.415 -12.657 -6.978 1.00 52.44 N ATOM 0 H LYS A 206 -6.057 -7.530 -7.651 1.00 41.22 H new ATOM 0 HA LYS A 206 -5.224 -10.221 -6.712 1.00 52.43 H new ATOM 0 HB2 LYS A 206 -4.780 -9.648 -9.181 1.00 50.32 H new ATOM 0 HB3 LYS A 206 -3.687 -8.404 -8.610 1.00 50.32 H new ATOM 0 HG2 LYS A 206 -2.413 -10.399 -9.184 1.00 21.34 H new ATOM 0 HG3 LYS A 206 -2.317 -10.130 -7.455 1.00 21.34 H new ATOM 0 HD2 LYS A 206 -4.044 -11.842 -7.047 1.00 62.33 H new ATOM 0 HD3 LYS A 206 -4.286 -12.055 -8.769 1.00 62.33 H new ATOM 0 HE2 LYS A 206 -2.884 -13.860 -7.909 1.00 63.20 H new ATOM 0 HE3 LYS A 206 -1.953 -12.865 -9.012 1.00 63.20 H new ATOM 0 HZ1 LYS A 206 -0.728 -13.438 -6.994 1.00 52.44 H new ATOM 0 HZ2 LYS A 206 -0.921 -11.758 -7.151 1.00 52.44 H new ATOM 0 HZ3 LYS A 206 -1.879 -12.623 -6.048 1.00 52.44 H new ATOM 991 N PRO A 207 -3.847 -9.237 -4.860 1.00 32.14 N ATOM 992 CA PRO A 207 -3.013 -8.701 -3.769 1.00 70.21 C ATOM 993 C PRO A 207 -1.527 -8.558 -4.151 1.00 11.20 C ATOM 994 O PRO A 207 -0.892 -9.515 -4.598 1.00 50.52 O ATOM 995 CB PRO A 207 -3.179 -9.736 -2.635 1.00 35.15 C ATOM 996 CG PRO A 207 -4.341 -10.584 -3.038 1.00 43.13 C ATOM 997 CD PRO A 207 -4.343 -10.585 -4.541 1.00 71.31 C ATOM 0 HA PRO A 207 -3.325 -7.693 -3.497 1.00 70.21 H new ATOM 0 HB2 PRO A 207 -2.277 -10.336 -2.516 1.00 35.15 H new ATOM 0 HB3 PRO A 207 -3.364 -9.245 -1.679 1.00 35.15 H new ATOM 0 HG2 PRO A 207 -4.241 -11.596 -2.646 1.00 43.13 H new ATOM 0 HG3 PRO A 207 -5.275 -10.181 -2.646 1.00 43.13 H new ATOM 0 HD2 PRO A 207 -3.696 -11.362 -4.947 1.00 71.31 H new ATOM 0 HD3 PRO A 207 -5.340 -10.757 -4.946 1.00 71.31 H new ATOM 1005 N ILE A 208 -0.981 -7.356 -3.968 1.00 13.04 N ATOM 1006 CA ILE A 208 0.437 -7.092 -4.218 1.00 2.31 C ATOM 1007 C ILE A 208 1.271 -7.422 -2.970 1.00 45.53 C ATOM 1008 O ILE A 208 0.932 -7.007 -1.862 1.00 65.41 O ATOM 1009 CB ILE A 208 0.696 -5.607 -4.615 1.00 21.32 C ATOM 1010 CG1 ILE A 208 -0.112 -5.207 -5.869 1.00 11.34 C ATOM 1011 CG2 ILE A 208 2.189 -5.362 -4.843 1.00 32.33 C ATOM 1012 CD1 ILE A 208 -1.588 -4.975 -5.611 1.00 1.43 C ATOM 0 H ILE A 208 -1.504 -6.542 -3.645 1.00 13.04 H new ATOM 0 HA ILE A 208 0.734 -7.730 -5.051 1.00 2.31 H new ATOM 0 HB ILE A 208 0.360 -4.982 -3.788 1.00 21.32 H new ATOM 0 HG12 ILE A 208 0.319 -4.299 -6.290 1.00 11.34 H new ATOM 0 HG13 ILE A 208 -0.005 -5.989 -6.621 1.00 11.34 H new ATOM 0 HG21 ILE A 208 2.349 -4.320 -5.119 1.00 32.33 H new ATOM 0 HG22 ILE A 208 2.738 -5.583 -3.928 1.00 32.33 H new ATOM 0 HG23 ILE A 208 2.546 -6.009 -5.645 1.00 32.33 H new ATOM 0 HD11 ILE A 208 -2.081 -4.698 -6.543 1.00 1.43 H new ATOM 0 HD12 ILE A 208 -2.037 -5.888 -5.220 1.00 1.43 H new ATOM 0 HD13 ILE A 208 -1.708 -4.172 -4.884 1.00 1.43 H new ATOM 1024 N GLY A 209 2.358 -8.168 -3.152 1.00 54.22 N ATOM 1025 CA GLY A 209 3.218 -8.520 -2.029 1.00 31.40 C ATOM 1026 C GLY A 209 3.876 -7.303 -1.378 1.00 32.52 C ATOM 1027 O GLY A 209 4.420 -6.445 -2.072 1.00 33.42 O ATOM 0 H GLY A 209 2.660 -8.535 -4.054 1.00 54.22 H new ATOM 0 HA2 GLY A 209 2.630 -9.052 -1.281 1.00 31.40 H new ATOM 0 HA3 GLY A 209 3.993 -9.205 -2.372 1.00 31.40 H new ATOM 1031 N TRP A 210 3.836 -7.231 -0.046 1.00 45.22 N ATOM 1032 CA TRP A 210 4.453 -6.118 0.696 1.00 35.21 C ATOM 1033 C TRP A 210 5.961 -5.988 0.392 1.00 13.54 C ATOM 1034 O TRP A 210 6.557 -4.923 0.571 1.00 41.20 O ATOM 1035 CB TRP A 210 4.242 -6.309 2.204 1.00 1.11 C ATOM 1036 CG TRP A 210 2.817 -6.127 2.653 1.00 35.34 C ATOM 1037 CD1 TRP A 210 1.851 -7.087 2.757 1.00 35.34 C ATOM 1038 CD2 TRP A 210 2.204 -4.901 3.071 1.00 12.10 C ATOM 1039 NE1 TRP A 210 0.682 -6.531 3.220 1.00 31.34 N ATOM 1040 CE2 TRP A 210 0.874 -5.191 3.420 1.00 12.51 C ATOM 1041 CE3 TRP A 210 2.658 -3.588 3.185 1.00 4.33 C ATOM 1042 CZ2 TRP A 210 -0.004 -4.212 3.879 1.00 71.42 C ATOM 1043 CZ3 TRP A 210 1.792 -2.616 3.639 1.00 60.32 C ATOM 1044 CH2 TRP A 210 0.470 -2.932 3.983 1.00 14.35 C ATOM 0 H TRP A 210 3.384 -7.928 0.546 1.00 45.22 H new ATOM 0 HA TRP A 210 3.967 -5.198 0.370 1.00 35.21 H new ATOM 0 HB2 TRP A 210 4.575 -7.309 2.483 1.00 1.11 H new ATOM 0 HB3 TRP A 210 4.874 -5.602 2.741 1.00 1.11 H new ATOM 0 HD1 TRP A 210 1.986 -8.130 2.511 1.00 35.34 H new ATOM 0 HE1 TRP A 210 -0.188 -7.036 3.387 1.00 31.34 H new ATOM 0 HE3 TRP A 210 3.674 -3.336 2.921 1.00 4.33 H new ATOM 0 HZ2 TRP A 210 -1.023 -4.454 4.143 1.00 71.42 H new ATOM 0 HZ3 TRP A 210 2.137 -1.597 3.731 1.00 60.32 H new ATOM 0 HH2 TRP A 210 -0.187 -2.151 4.337 1.00 14.35 H new ATOM 1055 N ASP A 211 6.563 -7.081 -0.073 1.00 42.23 N ATOM 1056 CA ASP A 211 7.988 -7.119 -0.428 1.00 22.33 C ATOM 1057 C ASP A 211 8.281 -6.405 -1.764 1.00 13.12 C ATOM 1058 O ASP A 211 9.441 -6.179 -2.117 1.00 21.52 O ATOM 1059 CB ASP A 211 8.439 -8.580 -0.506 1.00 70.41 C ATOM 1060 CG ASP A 211 7.559 -9.387 -1.447 1.00 51.41 C ATOM 1061 OD1 ASP A 211 7.864 -9.446 -2.655 1.00 35.41 O ATOM 1062 OD2 ASP A 211 6.543 -9.952 -0.983 1.00 42.04 O ATOM 0 H ASP A 211 6.080 -7.968 -0.216 1.00 42.23 H new ATOM 0 HA ASP A 211 8.543 -6.586 0.344 1.00 22.33 H new ATOM 0 HB2 ASP A 211 9.474 -8.625 -0.846 1.00 70.41 H new ATOM 0 HB3 ASP A 211 8.411 -9.024 0.489 1.00 70.41 H new ATOM 1067 N THR A 212 7.229 -6.063 -2.502 1.00 70.10 N ATOM 1068 CA THR A 212 7.371 -5.426 -3.821 1.00 4.30 C ATOM 1069 C THR A 212 7.773 -3.947 -3.700 1.00 0.32 C ATOM 1070 O THR A 212 7.254 -3.224 -2.847 1.00 61.44 O ATOM 1071 CB THR A 212 6.050 -5.515 -4.629 1.00 3.14 C ATOM 1072 OG1 THR A 212 5.542 -6.858 -4.603 1.00 20.23 O ATOM 1073 CG2 THR A 212 6.252 -5.084 -6.079 1.00 71.31 C ATOM 0 H THR A 212 6.262 -6.214 -2.213 1.00 70.10 H new ATOM 0 HA THR A 212 8.160 -5.968 -4.343 1.00 4.30 H new ATOM 0 HB THR A 212 5.334 -4.839 -4.162 1.00 3.14 H new ATOM 0 HG1 THR A 212 5.037 -7.001 -3.775 1.00 20.23 H new ATOM 0 HG21 THR A 212 5.306 -5.159 -6.616 1.00 71.31 H new ATOM 0 HG22 THR A 212 6.604 -4.053 -6.106 1.00 71.31 H new ATOM 0 HG23 THR A 212 6.990 -5.732 -6.552 1.00 71.31 H new ATOM 1081 N ASP A 213 8.699 -3.501 -4.549 1.00 73.52 N ATOM 1082 CA ASP A 213 9.095 -2.088 -4.590 1.00 45.25 C ATOM 1083 C ASP A 213 7.904 -1.192 -4.976 1.00 51.32 C ATOM 1084 O ASP A 213 7.215 -1.447 -5.967 1.00 41.22 O ATOM 1085 CB ASP A 213 10.239 -1.880 -5.589 1.00 31.21 C ATOM 1086 CG ASP A 213 11.467 -2.701 -5.247 1.00 65.03 C ATOM 1087 OD1 ASP A 213 11.531 -3.881 -5.652 1.00 63.23 O ATOM 1088 OD2 ASP A 213 12.377 -2.168 -4.583 1.00 73.10 O ATOM 0 H ASP A 213 9.190 -4.095 -5.218 1.00 73.52 H new ATOM 0 HA ASP A 213 9.434 -1.809 -3.592 1.00 45.25 H new ATOM 0 HB2 ASP A 213 9.896 -2.145 -6.589 1.00 31.21 H new ATOM 0 HB3 ASP A 213 10.508 -0.824 -5.614 1.00 31.21 H new ATOM 1093 N ILE A 214 7.673 -0.137 -4.199 1.00 63.35 N ATOM 1094 CA ILE A 214 6.536 0.764 -4.427 1.00 21.31 C ATOM 1095 C ILE A 214 6.606 1.443 -5.812 1.00 65.05 C ATOM 1096 O ILE A 214 5.586 1.848 -6.373 1.00 33.03 O ATOM 1097 CB ILE A 214 6.452 1.843 -3.316 1.00 24.20 C ATOM 1098 CG1 ILE A 214 5.185 2.697 -3.478 1.00 21.03 C ATOM 1099 CG2 ILE A 214 7.698 2.724 -3.317 1.00 12.44 C ATOM 1100 CD1 ILE A 214 5.053 3.798 -2.449 1.00 3.12 C ATOM 0 H ILE A 214 8.257 0.119 -3.403 1.00 63.35 H new ATOM 0 HA ILE A 214 5.636 0.150 -4.397 1.00 21.31 H new ATOM 0 HB ILE A 214 6.398 1.332 -2.355 1.00 24.20 H new ATOM 0 HG12 ILE A 214 5.183 3.141 -4.473 1.00 21.03 H new ATOM 0 HG13 ILE A 214 4.311 2.049 -3.416 1.00 21.03 H new ATOM 0 HG21 ILE A 214 7.615 3.473 -2.529 1.00 12.44 H new ATOM 0 HG22 ILE A 214 8.580 2.108 -3.140 1.00 12.44 H new ATOM 0 HG23 ILE A 214 7.791 3.222 -4.282 1.00 12.44 H new ATOM 0 HD11 ILE A 214 4.134 4.356 -2.629 1.00 3.12 H new ATOM 0 HD12 ILE A 214 5.022 3.361 -1.451 1.00 3.12 H new ATOM 0 HD13 ILE A 214 5.907 4.471 -2.524 1.00 3.12 H new ATOM 1112 N SER A 215 7.814 1.537 -6.366 1.00 33.04 N ATOM 1113 CA SER A 215 8.031 2.163 -7.681 1.00 61.41 C ATOM 1114 C SER A 215 7.236 1.464 -8.799 1.00 72.22 C ATOM 1115 O SER A 215 6.921 2.078 -9.819 1.00 44.45 O ATOM 1116 CB SER A 215 9.525 2.150 -8.035 1.00 32.41 C ATOM 1117 OG SER A 215 10.030 0.826 -8.096 1.00 10.52 O ATOM 0 H SER A 215 8.665 1.187 -5.926 1.00 33.04 H new ATOM 0 HA SER A 215 7.673 3.190 -7.607 1.00 61.41 H new ATOM 0 HB2 SER A 215 9.678 2.644 -8.995 1.00 32.41 H new ATOM 0 HB3 SER A 215 10.082 2.720 -7.291 1.00 32.41 H new ATOM 0 HG SER A 215 10.983 0.849 -8.325 1.00 10.52 H new ATOM 1123 N TRP A 216 6.913 0.186 -8.599 1.00 32.52 N ATOM 1124 CA TRP A 216 6.159 -0.596 -9.591 1.00 13.21 C ATOM 1125 C TRP A 216 4.714 -0.088 -9.747 1.00 64.14 C ATOM 1126 O TRP A 216 4.106 -0.233 -10.810 1.00 14.02 O ATOM 1127 CB TRP A 216 6.131 -2.078 -9.184 1.00 53.41 C ATOM 1128 CG TRP A 216 7.462 -2.774 -9.275 1.00 72.04 C ATOM 1129 CD1 TRP A 216 8.655 -2.352 -8.760 1.00 73.15 C ATOM 1130 CD2 TRP A 216 7.722 -4.036 -9.903 1.00 23.11 C ATOM 1131 NE1 TRP A 216 9.641 -3.266 -9.044 1.00 43.34 N ATOM 1132 CE2 TRP A 216 9.093 -4.310 -9.741 1.00 24.04 C ATOM 1133 CE3 TRP A 216 6.928 -4.957 -10.591 1.00 45.31 C ATOM 1134 CZ2 TRP A 216 9.685 -5.469 -10.239 1.00 73.53 C ATOM 1135 CZ3 TRP A 216 7.515 -6.107 -11.083 1.00 65.25 C ATOM 1136 CH2 TRP A 216 8.882 -6.355 -10.905 1.00 4.33 C ATOM 0 H TRP A 216 7.161 -0.335 -7.758 1.00 32.52 H new ATOM 0 HA TRP A 216 6.667 -0.479 -10.548 1.00 13.21 H new ATOM 0 HB2 TRP A 216 5.764 -2.154 -8.160 1.00 53.41 H new ATOM 0 HB3 TRP A 216 5.416 -2.603 -9.818 1.00 53.41 H new ATOM 0 HD1 TRP A 216 8.802 -1.434 -8.210 1.00 73.15 H new ATOM 0 HE1 TRP A 216 10.622 -3.181 -8.779 1.00 43.34 H new ATOM 0 HE3 TRP A 216 5.874 -4.773 -10.736 1.00 45.31 H new ATOM 0 HZ2 TRP A 216 10.739 -5.661 -10.104 1.00 73.53 H new ATOM 0 HZ3 TRP A 216 6.910 -6.827 -11.614 1.00 65.25 H new ATOM 0 HH2 TRP A 216 9.311 -7.264 -11.301 1.00 4.33 H new ATOM 1147 N LEU A 217 4.178 0.511 -8.682 1.00 21.51 N ATOM 1148 CA LEU A 217 2.766 0.928 -8.634 1.00 4.22 C ATOM 1149 C LEU A 217 2.622 2.463 -8.690 1.00 0.30 C ATOM 1150 O LEU A 217 1.742 3.046 -8.054 1.00 44.24 O ATOM 1151 CB LEU A 217 2.132 0.384 -7.344 1.00 74.52 C ATOM 1152 CG LEU A 217 2.314 -1.128 -7.116 1.00 30.33 C ATOM 1153 CD1 LEU A 217 1.752 -1.545 -5.759 1.00 60.20 C ATOM 1154 CD2 LEU A 217 1.657 -1.922 -8.245 1.00 52.30 C ATOM 0 H LEU A 217 4.701 0.722 -7.832 1.00 21.51 H new ATOM 0 HA LEU A 217 2.253 0.523 -9.506 1.00 4.22 H new ATOM 0 HB2 LEU A 217 2.558 0.918 -6.495 1.00 74.52 H new ATOM 0 HB3 LEU A 217 1.065 0.608 -7.359 1.00 74.52 H new ATOM 0 HG LEU A 217 3.381 -1.349 -7.118 1.00 30.33 H new ATOM 0 HD11 LEU A 217 1.892 -2.617 -5.621 1.00 60.20 H new ATOM 0 HD12 LEU A 217 2.274 -1.006 -4.968 1.00 60.20 H new ATOM 0 HD13 LEU A 217 0.688 -1.310 -5.718 1.00 60.20 H new ATOM 0 HD21 LEU A 217 1.795 -2.989 -8.068 1.00 52.30 H new ATOM 0 HD22 LEU A 217 0.591 -1.695 -8.277 1.00 52.30 H new ATOM 0 HD23 LEU A 217 2.115 -1.650 -9.196 1.00 52.30 H new ATOM 1166 N THR A 218 3.469 3.111 -9.487 1.00 35.12 N ATOM 1167 CA THR A 218 3.498 4.581 -9.560 1.00 63.05 C ATOM 1168 C THR A 218 2.221 5.171 -10.187 1.00 73.34 C ATOM 1169 O THR A 218 1.883 4.878 -11.334 1.00 12.14 O ATOM 1170 CB THR A 218 4.721 5.087 -10.370 1.00 42.12 C ATOM 1171 OG1 THR A 218 5.943 4.667 -9.748 1.00 11.45 O ATOM 1172 CG2 THR A 218 4.718 6.610 -10.489 1.00 71.40 C ATOM 0 H THR A 218 4.146 2.647 -10.093 1.00 35.12 H new ATOM 0 HA THR A 218 3.569 4.921 -8.527 1.00 63.05 H new ATOM 0 HB THR A 218 4.650 4.657 -11.369 1.00 42.12 H new ATOM 0 HG1 THR A 218 6.087 3.713 -9.920 1.00 11.45 H new ATOM 0 HG21 THR A 218 5.588 6.932 -11.062 1.00 71.40 H new ATOM 0 HG22 THR A 218 3.809 6.934 -10.996 1.00 71.40 H new ATOM 0 HG23 THR A 218 4.755 7.053 -9.494 1.00 71.40 H new ATOM 1180 N GLY A 219 1.519 6.006 -9.423 1.00 62.51 N ATOM 1181 CA GLY A 219 0.403 6.778 -9.970 1.00 60.31 C ATOM 1182 C GLY A 219 -0.967 6.108 -9.865 1.00 74.42 C ATOM 1183 O GLY A 219 -1.980 6.725 -10.189 1.00 30.32 O ATOM 0 H GLY A 219 1.700 6.165 -8.432 1.00 62.51 H new ATOM 0 HA2 GLY A 219 0.360 7.738 -9.456 1.00 60.31 H new ATOM 0 HA3 GLY A 219 0.607 6.987 -11.020 1.00 60.31 H new ATOM 1187 N GLU A 220 -1.022 4.858 -9.415 1.00 1.32 N ATOM 1188 CA GLU A 220 -2.306 4.145 -9.312 1.00 65.22 C ATOM 1189 C GLU A 220 -2.880 4.195 -7.885 1.00 14.23 C ATOM 1190 O GLU A 220 -2.228 4.675 -6.951 1.00 64.14 O ATOM 1191 CB GLU A 220 -2.158 2.693 -9.789 1.00 13.23 C ATOM 1192 CG GLU A 220 -1.072 1.903 -9.072 1.00 3.44 C ATOM 1193 CD GLU A 220 -0.953 0.481 -9.594 1.00 51.15 C ATOM 1194 OE1 GLU A 220 -0.422 0.292 -10.709 1.00 54.32 O ATOM 1195 OE2 GLU A 220 -1.409 -0.452 -8.906 1.00 60.23 O ATOM 0 H GLU A 220 -0.209 4.318 -9.118 1.00 1.32 H new ATOM 0 HA GLU A 220 -3.015 4.656 -9.963 1.00 65.22 H new ATOM 0 HB2 GLU A 220 -3.111 2.181 -9.656 1.00 13.23 H new ATOM 0 HB3 GLU A 220 -1.944 2.695 -10.858 1.00 13.23 H new ATOM 0 HG2 GLU A 220 -0.116 2.413 -9.192 1.00 3.44 H new ATOM 0 HG3 GLU A 220 -1.289 1.879 -8.004 1.00 3.44 H new ATOM 1202 N GLU A 221 -4.119 3.716 -7.736 1.00 42.54 N ATOM 1203 CA GLU A 221 -4.824 3.735 -6.445 1.00 34.13 C ATOM 1204 C GLU A 221 -4.950 2.326 -5.848 1.00 74.21 C ATOM 1205 O GLU A 221 -5.640 1.462 -6.393 1.00 52.45 O ATOM 1206 CB GLU A 221 -6.218 4.360 -6.615 1.00 1.22 C ATOM 1207 CG GLU A 221 -6.183 5.823 -7.050 1.00 73.13 C ATOM 1208 CD GLU A 221 -7.568 6.403 -7.295 1.00 12.35 C ATOM 1209 OE1 GLU A 221 -8.235 6.809 -6.322 1.00 2.22 O ATOM 1210 OE2 GLU A 221 -7.997 6.460 -8.468 1.00 53.34 O ATOM 0 H GLU A 221 -4.660 3.307 -8.498 1.00 42.54 H new ATOM 0 HA GLU A 221 -4.236 4.339 -5.754 1.00 34.13 H new ATOM 0 HB2 GLU A 221 -6.778 3.784 -7.352 1.00 1.22 H new ATOM 0 HB3 GLU A 221 -6.759 4.283 -5.672 1.00 1.22 H new ATOM 0 HG2 GLU A 221 -5.679 6.412 -6.284 1.00 73.13 H new ATOM 0 HG3 GLU A 221 -5.592 5.911 -7.961 1.00 73.13 H new ATOM 1217 N LEU A 222 -4.292 2.109 -4.716 1.00 43.10 N ATOM 1218 CA LEU A 222 -4.290 0.805 -4.046 1.00 62.34 C ATOM 1219 C LEU A 222 -5.372 0.724 -2.957 1.00 23.31 C ATOM 1220 O LEU A 222 -5.831 1.742 -2.440 1.00 24.54 O ATOM 1221 CB LEU A 222 -2.911 0.552 -3.421 1.00 1.43 C ATOM 1222 CG LEU A 222 -1.727 0.589 -4.401 1.00 40.21 C ATOM 1223 CD1 LEU A 222 -0.399 0.414 -3.663 1.00 61.23 C ATOM 1224 CD2 LEU A 222 -1.890 -0.472 -5.487 1.00 73.01 C ATOM 0 H LEU A 222 -3.746 2.824 -4.235 1.00 43.10 H new ATOM 0 HA LEU A 222 -4.509 0.042 -4.793 1.00 62.34 H new ATOM 0 HB2 LEU A 222 -2.741 1.297 -2.644 1.00 1.43 H new ATOM 0 HB3 LEU A 222 -2.926 -0.422 -2.932 1.00 1.43 H new ATOM 0 HG LEU A 222 -1.717 1.568 -4.881 1.00 40.21 H new ATOM 0 HD11 LEU A 222 0.422 0.444 -4.379 1.00 61.23 H new ATOM 0 HD12 LEU A 222 -0.277 1.218 -2.938 1.00 61.23 H new ATOM 0 HD13 LEU A 222 -0.394 -0.545 -3.145 1.00 61.23 H new ATOM 0 HD21 LEU A 222 -1.041 -0.428 -6.169 1.00 73.01 H new ATOM 0 HD22 LEU A 222 -1.935 -1.459 -5.027 1.00 73.01 H new ATOM 0 HD23 LEU A 222 -2.810 -0.287 -6.041 1.00 73.01 H new ATOM 1236 N HIS A 223 -5.777 -0.496 -2.612 1.00 23.25 N ATOM 1237 CA HIS A 223 -6.758 -0.721 -1.541 1.00 4.34 C ATOM 1238 C HIS A 223 -6.213 -1.740 -0.530 1.00 20.20 C ATOM 1239 O HIS A 223 -5.679 -2.774 -0.919 1.00 73.20 O ATOM 1240 CB HIS A 223 -8.084 -1.219 -2.130 1.00 40.32 C ATOM 1241 CG HIS A 223 -8.676 -0.287 -3.146 1.00 53.21 C ATOM 1242 ND1 HIS A 223 -9.629 0.662 -2.839 1.00 34.11 N ATOM 1243 CD2 HIS A 223 -8.445 -0.162 -4.478 1.00 43.25 C ATOM 1244 CE1 HIS A 223 -9.955 1.326 -3.930 1.00 24.03 C ATOM 1245 NE2 HIS A 223 -9.251 0.849 -4.936 1.00 31.32 N ATOM 0 H HIS A 223 -5.442 -1.350 -3.058 1.00 23.25 H new ATOM 0 HA HIS A 223 -6.937 0.224 -1.027 1.00 4.34 H new ATOM 0 HB2 HIS A 223 -7.924 -2.193 -2.592 1.00 40.32 H new ATOM 0 HB3 HIS A 223 -8.800 -1.364 -1.321 1.00 40.32 H new ATOM 0 HD2 HIS A 223 -7.756 -0.749 -5.067 1.00 43.25 H new ATOM 0 HE1 HIS A 223 -10.678 2.126 -3.989 1.00 24.03 H new ATOM 0 HE2 HIS A 223 -9.298 1.178 -5.900 1.00 31.32 H new ATOM 1254 N VAL A 224 -6.342 -1.445 0.763 1.00 23.41 N ATOM 1255 CA VAL A 224 -5.781 -2.310 1.813 1.00 1.51 C ATOM 1256 C VAL A 224 -6.862 -2.852 2.765 1.00 21.20 C ATOM 1257 O VAL A 224 -7.752 -2.120 3.197 1.00 63.23 O ATOM 1258 CB VAL A 224 -4.711 -1.549 2.644 1.00 51.23 C ATOM 1259 CG1 VAL A 224 -4.072 -2.461 3.692 1.00 12.41 C ATOM 1260 CG2 VAL A 224 -3.646 -0.945 1.729 1.00 74.23 C ATOM 0 H VAL A 224 -6.827 -0.619 1.113 1.00 23.41 H new ATOM 0 HA VAL A 224 -5.321 -3.155 1.301 1.00 1.51 H new ATOM 0 HB VAL A 224 -5.212 -0.737 3.171 1.00 51.23 H new ATOM 0 HG11 VAL A 224 -3.328 -1.900 4.257 1.00 12.41 H new ATOM 0 HG12 VAL A 224 -4.841 -2.830 4.371 1.00 12.41 H new ATOM 0 HG13 VAL A 224 -3.591 -3.304 3.196 1.00 12.41 H new ATOM 0 HG21 VAL A 224 -2.907 -0.417 2.331 1.00 74.23 H new ATOM 0 HG22 VAL A 224 -3.156 -1.740 1.167 1.00 74.23 H new ATOM 0 HG23 VAL A 224 -4.115 -0.247 1.036 1.00 74.23 H new ATOM 1270 N GLU A 225 -6.772 -4.144 3.083 1.00 15.34 N ATOM 1271 CA GLU A 225 -7.645 -4.777 4.083 1.00 72.20 C ATOM 1272 C GLU A 225 -6.807 -5.421 5.204 1.00 3.15 C ATOM 1273 O GLU A 225 -5.580 -5.462 5.124 1.00 75.52 O ATOM 1274 CB GLU A 225 -8.548 -5.835 3.427 1.00 52.51 C ATOM 1275 CG GLU A 225 -7.786 -6.975 2.756 1.00 64.25 C ATOM 1276 CD GLU A 225 -8.706 -8.081 2.259 1.00 24.22 C ATOM 1277 OE1 GLU A 225 -9.280 -7.941 1.156 1.00 74.34 O ATOM 1278 OE2 GLU A 225 -8.866 -9.096 2.972 1.00 72.41 O ATOM 0 H GLU A 225 -6.097 -4.781 2.660 1.00 15.34 H new ATOM 0 HA GLU A 225 -8.276 -4.002 4.518 1.00 72.20 H new ATOM 0 HB2 GLU A 225 -9.211 -6.252 4.185 1.00 52.51 H new ATOM 0 HB3 GLU A 225 -9.180 -5.348 2.684 1.00 52.51 H new ATOM 0 HG2 GLU A 225 -7.213 -6.580 1.917 1.00 64.25 H new ATOM 0 HG3 GLU A 225 -7.069 -7.394 3.463 1.00 64.25 H new ATOM 1285 N VAL A 226 -7.471 -5.923 6.242 1.00 2.13 N ATOM 1286 CA VAL A 226 -6.783 -6.559 7.378 1.00 44.14 C ATOM 1287 C VAL A 226 -6.821 -8.095 7.278 1.00 72.31 C ATOM 1288 O VAL A 226 -7.884 -8.688 7.098 1.00 51.13 O ATOM 1289 CB VAL A 226 -7.414 -6.124 8.728 1.00 2.11 C ATOM 1290 CG1 VAL A 226 -6.695 -6.782 9.907 1.00 24.31 C ATOM 1291 CG2 VAL A 226 -7.398 -4.602 8.864 1.00 3.44 C ATOM 0 H VAL A 226 -8.487 -5.905 6.326 1.00 2.13 H new ATOM 0 HA VAL A 226 -5.745 -6.229 7.340 1.00 44.14 H new ATOM 0 HB VAL A 226 -8.451 -6.458 8.740 1.00 2.11 H new ATOM 0 HG11 VAL A 226 -7.157 -6.460 10.840 1.00 24.31 H new ATOM 0 HG12 VAL A 226 -6.770 -7.866 9.820 1.00 24.31 H new ATOM 0 HG13 VAL A 226 -5.645 -6.489 9.902 1.00 24.31 H new ATOM 0 HG21 VAL A 226 -7.845 -4.317 9.817 1.00 3.44 H new ATOM 0 HG22 VAL A 226 -6.369 -4.244 8.824 1.00 3.44 H new ATOM 0 HG23 VAL A 226 -7.969 -4.158 8.049 1.00 3.44 H new ATOM 1301 N LEU A 227 -5.655 -8.733 7.406 1.00 10.42 N ATOM 1302 CA LEU A 227 -5.558 -10.200 7.358 1.00 2.41 C ATOM 1303 C LEU A 227 -6.025 -10.838 8.679 1.00 40.03 C ATOM 1304 O LEU A 227 -7.140 -11.358 8.766 1.00 23.24 O ATOM 1305 CB LEU A 227 -4.119 -10.633 7.042 1.00 33.23 C ATOM 1306 CG LEU A 227 -3.596 -10.230 5.653 1.00 41.42 C ATOM 1307 CD1 LEU A 227 -2.122 -10.602 5.498 1.00 43.30 C ATOM 1308 CD2 LEU A 227 -4.434 -10.883 4.557 1.00 12.53 C ATOM 0 H LEU A 227 -4.762 -8.259 7.544 1.00 10.42 H new ATOM 0 HA LEU A 227 -6.217 -10.549 6.563 1.00 2.41 H new ATOM 0 HB2 LEU A 227 -3.457 -10.210 7.797 1.00 33.23 H new ATOM 0 HB3 LEU A 227 -4.056 -11.717 7.134 1.00 33.23 H new ATOM 0 HG LEU A 227 -3.684 -9.148 5.556 1.00 41.42 H new ATOM 0 HD11 LEU A 227 -1.775 -10.307 4.508 1.00 43.30 H new ATOM 0 HD12 LEU A 227 -1.535 -10.086 6.257 1.00 43.30 H new ATOM 0 HD13 LEU A 227 -2.004 -11.679 5.618 1.00 43.30 H new ATOM 0 HD21 LEU A 227 -4.050 -10.587 3.581 1.00 12.53 H new ATOM 0 HD22 LEU A 227 -4.380 -11.967 4.655 1.00 12.53 H new ATOM 0 HD23 LEU A 227 -5.471 -10.562 4.652 1.00 12.53 H new