USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot -160:sc= -0.17 USER MOD Set 1.2: A 125 THR OG1 : rot 169:sc= 1.21 USER MOD Single : A 52 THR OG1 : rot 25:sc= 0.388 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 43:sc= 0.194 USER MOD Single : A 91 TYR OH : rot 179:sc= 0.0454 USER MOD Single : A 92 LYS NZ :NH3+ 171:sc=-0.00482 (180deg=-0.116) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -64:sc= 0.236 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -140:sc= -2.12! USER MOD Single : A 124 MET CE :methyl -166:sc= -0.0692 (180deg=-0.373) USER MOD Single : A 126 LYS NZ :NH3+ -155:sc= 0.968 (180deg=0.634) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -9.741 7.854 10.332 1.00 0.00 N ATOM 147 CA THR A 52 -8.910 7.432 9.194 1.00 0.00 C ATOM 148 C THR A 52 -9.187 5.952 8.849 1.00 0.00 C ATOM 149 O THR A 52 -9.547 5.162 9.731 1.00 0.00 O ATOM 150 CB THR A 52 -7.397 7.678 9.524 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.260 8.959 10.167 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.504 7.670 8.266 1.00 0.00 C ATOM 0 HA THR A 52 -9.165 8.026 8.316 1.00 0.00 H new ATOM 0 HB THR A 52 -7.072 6.864 10.172 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.103 9.197 10.606 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.468 7.845 8.554 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.584 6.703 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.829 8.456 7.584 1.00 0.00 H new ATOM 160 N VAL A 53 -9.006 5.575 7.575 1.00 0.00 N ATOM 161 CA VAL A 53 -9.460 4.270 7.072 1.00 0.00 C ATOM 162 C VAL A 53 -8.288 3.280 7.097 1.00 0.00 C ATOM 163 O VAL A 53 -7.354 3.384 6.300 1.00 0.00 O ATOM 164 CB VAL A 53 -10.055 4.386 5.618 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.569 3.015 5.094 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.173 5.462 5.563 1.00 0.00 C ATOM 0 H VAL A 53 -8.548 6.156 6.873 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.258 3.907 7.720 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.247 4.701 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.972 3.138 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.745 2.302 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.352 2.643 5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.569 5.524 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.975 5.189 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.762 6.429 5.852 1.00 0.00 H new ATOM 176 N ARG A 54 -8.333 2.365 8.067 1.00 0.00 N ATOM 177 CA ARG A 54 -7.355 1.283 8.211 1.00 0.00 C ATOM 178 C ARG A 54 -7.824 0.074 7.363 1.00 0.00 C ATOM 179 O ARG A 54 -8.896 -0.485 7.616 1.00 0.00 O ATOM 180 CB ARG A 54 -7.218 0.909 9.714 1.00 0.00 C ATOM 181 CG ARG A 54 -6.067 -0.064 10.031 1.00 0.00 C ATOM 182 CD ARG A 54 -4.680 0.555 9.820 1.00 0.00 C ATOM 183 NE ARG A 54 -4.336 1.604 10.800 1.00 0.00 N ATOM 184 CZ ARG A 54 -3.103 1.784 11.324 1.00 0.00 C ATOM 185 NH1 ARG A 54 -2.114 0.949 11.033 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.865 2.808 12.111 1.00 0.00 N ATOM 0 H ARG A 54 -9.058 2.354 8.784 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.374 1.597 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.073 1.823 10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.155 0.465 10.051 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.156 -0.398 11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.163 -0.948 9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.930 -0.234 9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.631 0.979 8.817 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.078 2.235 11.102 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.280 0.161 10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.188 1.096 11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.611 3.469 12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.934 2.942 12.506 1.00 0.00 H new ATOM 200 N LEU A 55 -7.021 -0.313 6.361 1.00 0.00 N ATOM 201 CA LEU A 55 -7.381 -1.361 5.372 1.00 0.00 C ATOM 202 C LEU A 55 -6.281 -2.456 5.409 1.00 0.00 C ATOM 203 O LEU A 55 -5.099 -2.149 5.589 1.00 0.00 O ATOM 204 CB LEU A 55 -7.550 -0.699 3.955 1.00 0.00 C ATOM 205 CG LEU A 55 -8.510 -1.389 2.911 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.718 -0.487 1.672 1.00 0.00 C ATOM 207 CD2 LEU A 55 -8.015 -2.776 2.458 1.00 0.00 C ATOM 0 H LEU A 55 -6.097 0.089 6.206 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.333 -1.836 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.903 0.321 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.561 -0.630 3.501 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.459 -1.533 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.384 -0.985 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.160 0.460 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.757 -0.299 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.719 -3.197 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.035 -2.678 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.940 -3.436 3.322 1.00 0.00 H new ATOM 219 N PHE A 56 -6.691 -3.729 5.256 1.00 0.00 N ATOM 220 CA PHE A 56 -5.812 -4.911 5.402 1.00 0.00 C ATOM 221 C PHE A 56 -5.826 -5.725 4.085 1.00 0.00 C ATOM 222 O PHE A 56 -6.880 -5.858 3.452 1.00 0.00 O ATOM 223 CB PHE A 56 -6.324 -5.800 6.574 1.00 0.00 C ATOM 224 CG PHE A 56 -6.484 -5.079 7.921 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.645 -4.354 8.218 1.00 0.00 C ATOM 226 CD2 PHE A 56 -5.482 -5.126 8.884 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.786 -3.705 9.431 1.00 0.00 C ATOM 228 CE2 PHE A 56 -5.628 -4.473 10.098 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.776 -3.766 10.370 1.00 0.00 C ATOM 0 H PHE A 56 -7.654 -3.972 5.024 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.794 -4.585 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.287 -6.226 6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.633 -6.633 6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.441 -4.301 7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.577 -5.679 8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.687 -3.150 9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.838 -4.520 10.833 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.887 -3.259 11.317 1.00 0.00 H new ATOM 239 N GLY A 57 -4.659 -6.267 3.683 1.00 0.00 N ATOM 240 CA GLY A 57 -4.549 -7.107 2.483 1.00 0.00 C ATOM 241 C GLY A 57 -3.115 -7.552 2.237 1.00 0.00 C ATOM 242 O GLY A 57 -2.283 -7.500 3.149 1.00 0.00 O ATOM 0 H GLY A 57 -3.777 -6.134 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.188 -7.983 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.912 -6.554 1.617 1.00 0.00 H new ATOM 246 N THR A 58 -2.813 -7.985 0.999 1.00 0.00 N ATOM 247 CA THR A 58 -1.462 -8.439 0.601 1.00 0.00 C ATOM 248 C THR A 58 -0.985 -7.685 -0.664 1.00 0.00 C ATOM 249 O THR A 58 -1.797 -7.359 -1.534 1.00 0.00 O ATOM 250 CB THR A 58 -1.467 -9.989 0.349 1.00 0.00 C ATOM 251 OG1 THR A 58 -2.141 -10.652 1.438 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.045 -10.565 0.217 1.00 0.00 C ATOM 0 H THR A 58 -3.497 -8.031 0.244 1.00 0.00 H new ATOM 0 HA THR A 58 -0.767 -8.218 1.411 1.00 0.00 H new ATOM 0 HB THR A 58 -1.988 -10.163 -0.592 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.145 -11.619 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.102 -11.640 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.464 -10.089 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.511 -10.375 1.135 1.00 0.00 H new ATOM 260 N VAL A 59 0.331 -7.404 -0.746 1.00 0.00 N ATOM 261 CA VAL A 59 0.942 -6.676 -1.877 1.00 0.00 C ATOM 262 C VAL A 59 1.140 -7.625 -3.065 1.00 0.00 C ATOM 263 O VAL A 59 1.661 -8.729 -2.890 1.00 0.00 O ATOM 264 CB VAL A 59 2.335 -6.053 -1.481 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.988 -5.279 -2.657 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.189 -5.147 -0.249 1.00 0.00 C ATOM 0 H VAL A 59 1.002 -7.676 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 59 0.265 -5.867 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 59 3.001 -6.880 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.945 -4.868 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.147 -5.957 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.331 -4.467 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.160 -4.726 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.491 -4.340 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.812 -5.732 0.590 1.00 0.00 H new ATOM 276 N ALA A 60 0.726 -7.179 -4.260 1.00 0.00 N ATOM 277 CA ALA A 60 0.911 -7.927 -5.513 1.00 0.00 C ATOM 278 C ALA A 60 2.227 -7.527 -6.204 1.00 0.00 C ATOM 279 O ALA A 60 2.748 -6.426 -5.986 1.00 0.00 O ATOM 280 CB ALA A 60 -0.264 -7.675 -6.462 1.00 0.00 C ATOM 0 H ALA A 60 0.251 -6.285 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 60 0.954 -8.988 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.113 -8.235 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.190 -7.999 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.326 -6.611 -6.690 1.00 0.00 H new ATOM 286 N ALA A 61 2.742 -8.439 -7.047 1.00 0.00 N ATOM 287 CA ALA A 61 3.874 -8.159 -7.955 1.00 0.00 C ATOM 288 C ALA A 61 3.358 -7.456 -9.212 1.00 0.00 C ATOM 289 O ALA A 61 4.033 -6.597 -9.792 1.00 0.00 O ATOM 290 CB ALA A 61 4.601 -9.465 -8.321 1.00 0.00 C ATOM 0 H ALA A 61 2.387 -9.392 -7.120 1.00 0.00 H new ATOM 0 HA ALA A 61 4.587 -7.505 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.432 -9.243 -8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.981 -9.936 -7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.906 -10.142 -8.818 1.00 0.00 H new ATOM 296 N ASP A 62 2.123 -7.807 -9.592 1.00 0.00 N ATOM 297 CA ASP A 62 1.469 -7.292 -10.793 1.00 0.00 C ATOM 298 C ASP A 62 0.970 -5.871 -10.513 1.00 0.00 C ATOM 299 O ASP A 62 0.040 -5.685 -9.718 1.00 0.00 O ATOM 300 CB ASP A 62 0.295 -8.223 -11.195 1.00 0.00 C ATOM 301 CG ASP A 62 -0.345 -7.852 -12.546 1.00 0.00 C ATOM 302 OD1 ASP A 62 -1.250 -6.994 -12.583 1.00 0.00 O ATOM 303 OD2 ASP A 62 0.066 -8.415 -13.589 1.00 0.00 O ATOM 0 H ASP A 62 1.547 -8.464 -9.066 1.00 0.00 H new ATOM 0 HA ASP A 62 2.176 -7.264 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.656 -9.251 -11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.469 -8.189 -10.418 1.00 0.00 H new ATOM 308 N GLY A 63 1.629 -4.881 -11.125 1.00 0.00 N ATOM 309 CA GLY A 63 1.259 -3.476 -10.967 1.00 0.00 C ATOM 310 C GLY A 63 1.971 -2.779 -9.811 1.00 0.00 C ATOM 311 O GLY A 63 1.585 -1.667 -9.441 1.00 0.00 O ATOM 0 H GLY A 63 2.429 -5.033 -11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.482 -2.945 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.182 -3.408 -10.812 1.00 0.00 H new ATOM 315 N LEU A 64 3.017 -3.417 -9.237 1.00 0.00 N ATOM 316 CA LEU A 64 3.861 -2.772 -8.210 1.00 0.00 C ATOM 317 C LEU A 64 4.746 -1.724 -8.926 1.00 0.00 C ATOM 318 O LEU A 64 5.828 -2.035 -9.440 1.00 0.00 O ATOM 319 CB LEU A 64 4.687 -3.832 -7.397 1.00 0.00 C ATOM 320 CG LEU A 64 5.254 -3.378 -5.992 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.687 -4.594 -5.141 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.432 -2.376 -6.114 1.00 0.00 C ATOM 0 H LEU A 64 3.294 -4.371 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 64 3.248 -2.266 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.055 -4.706 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.527 -4.152 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 64 4.434 -2.863 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.072 -4.248 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.829 -5.245 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.466 -5.147 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.780 -2.100 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.248 -2.840 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.097 -1.483 -6.642 1.00 0.00 H new ATOM 334 N THR A 65 4.214 -0.501 -9.009 1.00 0.00 N ATOM 335 CA THR A 65 4.790 0.609 -9.769 1.00 0.00 C ATOM 336 C THR A 65 5.175 1.753 -8.814 1.00 0.00 C ATOM 337 O THR A 65 4.305 2.360 -8.198 1.00 0.00 O ATOM 338 CB THR A 65 3.744 1.106 -10.821 1.00 0.00 C ATOM 339 OG1 THR A 65 3.280 -0.012 -11.597 1.00 0.00 O ATOM 340 CG2 THR A 65 4.315 2.186 -11.750 1.00 0.00 C ATOM 0 H THR A 65 3.346 -0.250 -8.535 1.00 0.00 H new ATOM 0 HA THR A 65 5.689 0.274 -10.286 1.00 0.00 H new ATOM 0 HB THR A 65 2.915 1.558 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.623 0.297 -12.256 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.549 2.496 -12.461 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.631 3.045 -11.158 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.171 1.784 -12.292 1.00 0.00 H new ATOM 348 N MET A 66 6.472 2.076 -8.729 1.00 0.00 N ATOM 349 CA MET A 66 6.983 3.085 -7.775 1.00 0.00 C ATOM 350 C MET A 66 6.970 4.476 -8.430 1.00 0.00 C ATOM 351 O MET A 66 6.895 4.587 -9.664 1.00 0.00 O ATOM 352 CB MET A 66 8.410 2.706 -7.290 1.00 0.00 C ATOM 353 CG MET A 66 8.456 1.432 -6.443 1.00 0.00 C ATOM 354 SD MET A 66 10.123 1.034 -5.863 1.00 0.00 S ATOM 355 CE MET A 66 9.807 -0.384 -4.805 1.00 0.00 C ATOM 0 H MET A 66 7.195 1.653 -9.311 1.00 0.00 H new ATOM 0 HA MET A 66 6.333 3.109 -6.901 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.057 2.578 -8.158 1.00 0.00 H new ATOM 0 HB3 MET A 66 8.818 3.533 -6.708 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.796 1.549 -5.584 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.072 0.597 -7.029 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.746 -0.736 -4.378 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.129 -0.095 -4.002 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.354 -1.182 -5.392 1.00 0.00 H new ATOM 365 N LEU A 67 7.039 5.527 -7.601 1.00 0.00 N ATOM 366 CA LEU A 67 7.007 6.923 -8.080 1.00 0.00 C ATOM 367 C LEU A 67 8.276 7.249 -8.893 1.00 0.00 C ATOM 368 O LEU A 67 9.392 7.157 -8.373 1.00 0.00 O ATOM 369 CB LEU A 67 6.842 7.903 -6.894 1.00 0.00 C ATOM 370 CG LEU A 67 5.514 7.776 -6.082 1.00 0.00 C ATOM 371 CD1 LEU A 67 5.434 8.845 -4.968 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.288 7.846 -7.016 1.00 0.00 C ATOM 0 H LEU A 67 7.118 5.439 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 67 6.146 7.041 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.678 7.759 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.915 8.921 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 67 5.509 6.799 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.498 8.731 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.273 8.720 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.474 9.839 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.376 7.755 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.286 8.800 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.335 7.032 -7.740 1.00 0.00 H new ATOM 384 N ASP A 68 8.077 7.608 -10.177 1.00 0.00 N ATOM 385 CA ASP A 68 9.160 7.865 -11.148 1.00 0.00 C ATOM 386 C ASP A 68 9.988 9.092 -10.728 1.00 0.00 C ATOM 387 O ASP A 68 9.572 10.240 -10.949 1.00 0.00 O ATOM 388 CB ASP A 68 8.565 8.076 -12.570 1.00 0.00 C ATOM 389 CG ASP A 68 7.672 6.914 -13.042 1.00 0.00 C ATOM 390 OD1 ASP A 68 6.515 6.814 -12.571 1.00 0.00 O ATOM 391 OD2 ASP A 68 8.116 6.092 -13.875 1.00 0.00 O ATOM 0 H ASP A 68 7.146 7.729 -10.575 1.00 0.00 H new ATOM 0 HA ASP A 68 9.820 6.998 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.983 8.997 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.381 8.208 -13.280 1.00 0.00 H new ATOM 396 N GLY A 69 11.134 8.830 -10.076 1.00 0.00 N ATOM 397 CA GLY A 69 12.046 9.880 -9.618 1.00 0.00 C ATOM 398 C GLY A 69 11.576 10.581 -8.344 1.00 0.00 C ATOM 399 O GLY A 69 11.990 11.713 -8.070 1.00 0.00 O ATOM 0 H GLY A 69 11.449 7.885 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.030 9.445 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.162 10.621 -10.409 1.00 0.00 H new ATOM 403 N ALA A 70 10.721 9.904 -7.556 1.00 0.00 N ATOM 404 CA ALA A 70 10.138 10.455 -6.311 1.00 0.00 C ATOM 405 C ALA A 70 10.016 9.337 -5.244 1.00 0.00 C ATOM 406 O ALA A 70 9.851 8.163 -5.605 1.00 0.00 O ATOM 407 CB ALA A 70 8.766 11.097 -6.616 1.00 0.00 C ATOM 0 H ALA A 70 10.411 8.954 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 70 10.793 11.229 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.341 11.501 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.894 11.901 -7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.094 10.343 -7.025 1.00 0.00 H new ATOM 413 N PRO A 71 10.126 9.665 -3.911 1.00 0.00 N ATOM 414 CA PRO A 71 9.981 8.662 -2.827 1.00 0.00 C ATOM 415 C PRO A 71 8.509 8.214 -2.641 1.00 0.00 C ATOM 416 O PRO A 71 7.649 9.012 -2.244 1.00 0.00 O ATOM 417 CB PRO A 71 10.536 9.402 -1.575 1.00 0.00 C ATOM 418 CG PRO A 71 10.283 10.852 -1.857 1.00 0.00 C ATOM 419 CD PRO A 71 10.429 11.016 -3.361 1.00 0.00 C ATOM 0 HA PRO A 71 10.514 7.734 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.029 9.080 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.599 9.204 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.287 11.146 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.994 11.483 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.740 11.766 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.435 11.338 -3.630 1.00 0.00 H new ATOM 427 N GLY A 72 8.230 6.941 -2.988 1.00 0.00 N ATOM 428 CA GLY A 72 6.916 6.332 -2.769 1.00 0.00 C ATOM 429 C GLY A 72 6.638 5.159 -3.708 1.00 0.00 C ATOM 430 O GLY A 72 7.455 4.839 -4.582 1.00 0.00 O ATOM 0 H GLY A 72 8.908 6.316 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.848 5.988 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.144 7.089 -2.904 1.00 0.00 H new ATOM 434 N VAL A 73 5.452 4.547 -3.548 1.00 0.00 N ATOM 435 CA VAL A 73 5.043 3.349 -4.294 1.00 0.00 C ATOM 436 C VAL A 73 3.512 3.331 -4.496 1.00 0.00 C ATOM 437 O VAL A 73 2.747 3.657 -3.592 1.00 0.00 O ATOM 438 CB VAL A 73 5.502 2.021 -3.564 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.865 1.879 -2.152 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.223 0.768 -4.432 1.00 0.00 C ATOM 0 H VAL A 73 4.745 4.875 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 73 5.534 3.390 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 73 6.580 2.096 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.208 0.954 -1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.161 2.726 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.779 1.858 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.551 -0.124 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.155 0.697 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.767 0.849 -5.373 1.00 0.00 H new ATOM 450 N ARG A 74 3.095 3.019 -5.725 1.00 0.00 N ATOM 451 CA ARG A 74 1.724 2.598 -6.043 1.00 0.00 C ATOM 452 C ARG A 74 1.739 1.070 -6.271 1.00 0.00 C ATOM 453 O ARG A 74 2.663 0.533 -6.875 1.00 0.00 O ATOM 454 CB ARG A 74 1.192 3.339 -7.303 1.00 0.00 C ATOM 455 CG ARG A 74 -0.265 2.977 -7.685 1.00 0.00 C ATOM 456 CD ARG A 74 -0.744 3.669 -8.977 1.00 0.00 C ATOM 457 NE ARG A 74 -0.743 5.142 -8.853 1.00 0.00 N ATOM 458 CZ ARG A 74 -1.524 5.993 -9.537 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.484 5.550 -10.340 1.00 0.00 N ATOM 460 NH2 ARG A 74 -1.366 7.299 -9.373 1.00 0.00 N ATOM 0 H ARG A 74 3.707 3.051 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 74 1.056 2.849 -5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.255 4.414 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.844 3.112 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.344 1.897 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.928 3.253 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.099 3.375 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.750 3.327 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.088 5.550 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.638 4.547 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.067 6.212 -10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.655 7.650 -8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.955 7.953 -9.889 1.00 0.00 H new ATOM 474 N PHE A 75 0.726 0.382 -5.756 1.00 0.00 N ATOM 475 CA PHE A 75 0.580 -1.079 -5.878 1.00 0.00 C ATOM 476 C PHE A 75 -0.901 -1.431 -5.745 1.00 0.00 C ATOM 477 O PHE A 75 -1.686 -0.607 -5.274 1.00 0.00 O ATOM 478 CB PHE A 75 1.432 -1.815 -4.795 1.00 0.00 C ATOM 479 CG PHE A 75 1.069 -1.478 -3.335 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.483 -0.274 -2.751 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.313 -2.357 -2.551 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.159 0.032 -1.440 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.009 -2.048 -1.242 1.00 0.00 C ATOM 484 CZ PHE A 75 0.413 -0.856 -0.687 1.00 0.00 C ATOM 0 H PHE A 75 -0.032 0.822 -5.233 1.00 0.00 H new ATOM 0 HA PHE A 75 0.946 -1.406 -6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.325 -2.890 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.483 -1.574 -4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.064 0.427 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.024 -3.291 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.489 0.964 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.592 -2.740 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.160 -0.617 0.336 1.00 0.00 H new ATOM 494 N ARG A 76 -1.296 -2.640 -6.151 1.00 0.00 N ATOM 495 CA ARG A 76 -2.674 -3.107 -5.940 1.00 0.00 C ATOM 496 C ARG A 76 -2.687 -3.992 -4.677 1.00 0.00 C ATOM 497 O ARG A 76 -1.986 -5.014 -4.602 1.00 0.00 O ATOM 498 CB ARG A 76 -3.246 -3.840 -7.197 1.00 0.00 C ATOM 499 CG ARG A 76 -2.592 -5.191 -7.546 1.00 0.00 C ATOM 500 CD ARG A 76 -3.229 -5.902 -8.757 1.00 0.00 C ATOM 501 NE ARG A 76 -2.916 -7.347 -8.745 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.207 -8.224 -9.707 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.757 -7.838 -10.852 1.00 0.00 N ATOM 504 NH2 ARG A 76 -2.922 -9.501 -9.522 1.00 0.00 N ATOM 0 H ARG A 76 -0.690 -3.310 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.336 -2.254 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.313 -4.004 -7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.146 -3.177 -8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.533 -5.029 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.654 -5.848 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.310 -5.760 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.863 -5.454 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.432 -7.707 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.966 -6.852 -11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.971 -8.527 -11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.485 -9.805 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.139 -10.183 -10.249 1.00 0.00 H new ATOM 518 N LEU A 77 -3.398 -3.529 -3.640 1.00 0.00 N ATOM 519 CA LEU A 77 -3.613 -4.306 -2.423 1.00 0.00 C ATOM 520 C LEU A 77 -4.731 -5.318 -2.680 1.00 0.00 C ATOM 521 O LEU A 77 -5.903 -4.942 -2.862 1.00 0.00 O ATOM 522 CB LEU A 77 -3.972 -3.394 -1.222 1.00 0.00 C ATOM 523 CG LEU A 77 -3.913 -4.090 0.171 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.465 -4.495 0.506 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.515 -3.213 1.289 1.00 0.00 C ATOM 0 H LEU A 77 -3.837 -2.608 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.690 -4.826 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.292 -2.542 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.977 -2.999 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.526 -4.990 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.439 -4.980 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.096 -5.186 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.834 -3.606 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.451 -3.741 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.960 -2.277 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.560 -3.000 1.062 1.00 0.00 H new ATOM 537 N GLU A 78 -4.338 -6.588 -2.761 1.00 0.00 N ATOM 538 CA GLU A 78 -5.256 -7.701 -2.973 1.00 0.00 C ATOM 539 C GLU A 78 -5.964 -8.034 -1.651 1.00 0.00 C ATOM 540 O GLU A 78 -5.322 -8.477 -0.686 1.00 0.00 O ATOM 541 CB GLU A 78 -4.482 -8.921 -3.517 1.00 0.00 C ATOM 542 CG GLU A 78 -3.645 -8.600 -4.774 1.00 0.00 C ATOM 543 CD GLU A 78 -2.881 -9.809 -5.336 1.00 0.00 C ATOM 544 OE1 GLU A 78 -2.273 -10.564 -4.541 1.00 0.00 O ATOM 545 OE2 GLU A 78 -2.858 -10.005 -6.579 1.00 0.00 O ATOM 0 H GLU A 78 -3.362 -6.874 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.011 -7.426 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.823 -9.302 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.189 -9.716 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.305 -8.207 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.932 -7.812 -4.533 1.00 0.00 H new ATOM 552 N ASP A 79 -7.271 -7.733 -1.612 1.00 0.00 N ATOM 553 CA ASP A 79 -8.161 -8.046 -0.484 1.00 0.00 C ATOM 554 C ASP A 79 -8.212 -9.570 -0.256 1.00 0.00 C ATOM 555 O ASP A 79 -8.418 -10.333 -1.203 1.00 0.00 O ATOM 556 CB ASP A 79 -9.568 -7.456 -0.792 1.00 0.00 C ATOM 557 CG ASP A 79 -10.699 -7.906 0.150 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.511 -7.912 1.385 1.00 0.00 O ATOM 559 OD2 ASP A 79 -11.794 -8.247 -0.339 1.00 0.00 O ATOM 0 H ASP A 79 -7.747 -7.256 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.787 -7.599 0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.502 -6.369 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.840 -7.726 -1.812 1.00 0.00 H new ATOM 659 N THR A 86 -8.913 -5.791 -6.108 1.00 0.00 N ATOM 660 CA THR A 86 -7.553 -5.246 -6.084 1.00 0.00 C ATOM 661 C THR A 86 -7.615 -3.710 -6.145 1.00 0.00 C ATOM 662 O THR A 86 -7.945 -3.129 -7.186 1.00 0.00 O ATOM 663 CB THR A 86 -6.707 -5.843 -7.260 1.00 0.00 C ATOM 664 OG1 THR A 86 -7.390 -5.678 -8.518 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.409 -7.344 -7.047 1.00 0.00 C ATOM 0 HA THR A 86 -7.059 -5.529 -5.154 1.00 0.00 H new ATOM 0 HB THR A 86 -5.764 -5.296 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.778 -4.779 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.821 -7.720 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.849 -7.476 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.347 -7.896 -6.986 1.00 0.00 H new ATOM 673 N VAL A 87 -7.304 -3.069 -5.012 1.00 0.00 N ATOM 674 CA VAL A 87 -7.443 -1.608 -4.832 1.00 0.00 C ATOM 675 C VAL A 87 -6.062 -0.958 -4.997 1.00 0.00 C ATOM 676 O VAL A 87 -5.107 -1.382 -4.352 1.00 0.00 O ATOM 677 CB VAL A 87 -8.020 -1.271 -3.394 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.214 0.259 -3.191 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.340 -2.048 -3.133 1.00 0.00 C ATOM 0 H VAL A 87 -6.946 -3.547 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.136 -1.220 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.284 -1.598 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.611 0.446 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.255 0.765 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.912 0.639 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.717 -1.801 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.081 -1.769 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.149 -3.120 -3.192 1.00 0.00 H new ATOM 689 N TRP A 88 -5.965 0.087 -5.842 1.00 0.00 N ATOM 690 CA TRP A 88 -4.673 0.713 -6.165 1.00 0.00 C ATOM 691 C TRP A 88 -4.289 1.687 -5.056 1.00 0.00 C ATOM 692 O TRP A 88 -4.782 2.792 -5.003 1.00 0.00 O ATOM 693 CB TRP A 88 -4.725 1.412 -7.547 1.00 0.00 C ATOM 694 CG TRP A 88 -4.819 0.427 -8.683 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.934 0.067 -9.381 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.744 -0.353 -9.216 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.613 -0.876 -10.324 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.274 -1.149 -10.242 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.381 -0.435 -8.938 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.493 -2.029 -10.978 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.609 -1.317 -9.660 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.163 -2.098 -10.678 1.00 0.00 C ATOM 0 H TRP A 88 -6.765 0.513 -6.311 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.906 -0.059 -6.229 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.583 2.084 -7.580 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.834 2.026 -7.675 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.924 0.466 -9.216 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.266 -1.304 -10.980 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.938 0.182 -8.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.922 -2.638 -11.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.556 -1.407 -9.436 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.527 -2.768 -11.238 1.00 0.00 H new ATOM 713 N VAL A 89 -3.438 1.230 -4.150 1.00 0.00 N ATOM 714 CA VAL A 89 -2.981 2.008 -3.010 1.00 0.00 C ATOM 715 C VAL A 89 -1.730 2.807 -3.389 1.00 0.00 C ATOM 716 O VAL A 89 -0.780 2.258 -3.954 1.00 0.00 O ATOM 717 CB VAL A 89 -2.681 1.062 -1.802 1.00 0.00 C ATOM 718 CG1 VAL A 89 -2.244 1.856 -0.552 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.909 0.171 -1.509 1.00 0.00 C ATOM 0 H VAL A 89 -3.039 0.292 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.765 2.707 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.845 0.417 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.044 1.165 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.340 2.422 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.039 2.543 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.690 -0.484 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.766 0.800 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.139 -0.432 -2.387 1.00 0.00 H new ATOM 729 N LEU A 90 -1.756 4.102 -3.073 1.00 0.00 N ATOM 730 CA LEU A 90 -0.656 5.024 -3.309 1.00 0.00 C ATOM 731 C LEU A 90 -0.128 5.530 -1.953 1.00 0.00 C ATOM 732 O LEU A 90 -0.835 6.219 -1.207 1.00 0.00 O ATOM 733 CB LEU A 90 -1.109 6.201 -4.218 1.00 0.00 C ATOM 734 CG LEU A 90 -0.016 7.271 -4.527 1.00 0.00 C ATOM 735 CD1 LEU A 90 1.262 6.629 -5.115 1.00 0.00 C ATOM 736 CD2 LEU A 90 -0.554 8.389 -5.450 1.00 0.00 C ATOM 0 H LEU A 90 -2.564 4.545 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 90 0.149 4.508 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.468 5.791 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.955 6.698 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 90 0.255 7.732 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.000 7.406 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.673 5.916 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.016 6.112 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.237 9.114 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.884 7.954 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.394 8.887 -4.966 1.00 0.00 H new ATOM 748 N TYR A 91 1.116 5.151 -1.660 1.00 0.00 N ATOM 749 CA TYR A 91 1.856 5.543 -0.453 1.00 0.00 C ATOM 750 C TYR A 91 3.022 6.445 -0.883 1.00 0.00 C ATOM 751 O TYR A 91 3.760 6.099 -1.794 1.00 0.00 O ATOM 752 CB TYR A 91 2.386 4.284 0.305 1.00 0.00 C ATOM 753 CG TYR A 91 3.340 4.604 1.475 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.862 5.164 2.665 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.719 4.366 1.380 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.721 5.474 3.707 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.575 4.674 2.421 1.00 0.00 C ATOM 758 CZ TYR A 91 5.072 5.228 3.580 1.00 0.00 C ATOM 759 OH TYR A 91 5.929 5.537 4.616 1.00 0.00 O ATOM 0 H TYR A 91 1.657 4.543 -2.274 1.00 0.00 H new ATOM 0 HA TYR A 91 1.197 6.080 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.536 3.720 0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.903 3.638 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.805 5.358 2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.120 3.933 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.333 5.908 4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.634 4.482 2.327 1.00 0.00 H new ATOM 0 HH TYR A 91 6.844 5.285 4.370 1.00 0.00 H new ATOM 769 N LYS A 92 3.157 7.617 -0.252 1.00 0.00 N ATOM 770 CA LYS A 92 4.307 8.531 -0.463 1.00 0.00 C ATOM 771 C LYS A 92 5.225 8.490 0.768 1.00 0.00 C ATOM 772 O LYS A 92 4.755 8.288 1.892 1.00 0.00 O ATOM 773 CB LYS A 92 3.839 9.999 -0.739 1.00 0.00 C ATOM 774 CG LYS A 92 3.199 10.252 -2.131 1.00 0.00 C ATOM 775 CD LYS A 92 1.801 9.600 -2.325 1.00 0.00 C ATOM 776 CE LYS A 92 0.723 10.179 -1.394 1.00 0.00 C ATOM 777 NZ LYS A 92 0.539 11.635 -1.609 1.00 0.00 N ATOM 0 H LYS A 92 2.476 7.967 0.422 1.00 0.00 H new ATOM 0 HA LYS A 92 4.853 8.192 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.118 10.281 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.698 10.661 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.109 11.327 -2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.872 9.874 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.487 9.733 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.882 8.527 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.222 9.663 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.002 9.996 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.294 11.962 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.383 12.144 -1.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.399 11.821 -2.623 1.00 0.00 H new ATOM 791 N GLY A 93 6.529 8.674 0.536 1.00 0.00 N ATOM 792 CA GLY A 93 7.539 8.665 1.598 1.00 0.00 C ATOM 793 C GLY A 93 8.482 7.484 1.460 1.00 0.00 C ATOM 794 O GLY A 93 8.487 6.806 0.420 1.00 0.00 O ATOM 0 H GLY A 93 6.914 8.834 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.110 9.593 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.046 8.627 2.570 1.00 0.00 H new ATOM 798 N ALA A 94 9.283 7.243 2.509 1.00 0.00 N ATOM 799 CA ALA A 94 10.244 6.133 2.550 1.00 0.00 C ATOM 800 C ALA A 94 9.509 4.783 2.596 1.00 0.00 C ATOM 801 O ALA A 94 8.822 4.470 3.579 1.00 0.00 O ATOM 802 CB ALA A 94 11.190 6.280 3.756 1.00 0.00 C ATOM 0 H ALA A 94 9.282 7.814 3.354 1.00 0.00 H new ATOM 0 HA ALA A 94 10.844 6.164 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.895 5.448 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.738 7.219 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.608 6.277 4.678 1.00 0.00 H new ATOM 808 N VAL A 95 9.638 4.024 1.506 1.00 0.00 N ATOM 809 CA VAL A 95 9.059 2.682 1.366 1.00 0.00 C ATOM 810 C VAL A 95 10.040 1.656 1.958 1.00 0.00 C ATOM 811 O VAL A 95 11.156 1.528 1.442 1.00 0.00 O ATOM 812 CB VAL A 95 8.767 2.353 -0.149 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.143 0.948 -0.332 1.00 0.00 C ATOM 814 CG2 VAL A 95 7.874 3.446 -0.775 1.00 0.00 C ATOM 0 H VAL A 95 10.156 4.327 0.681 1.00 0.00 H new ATOM 0 HA VAL A 95 8.111 2.639 1.903 1.00 0.00 H new ATOM 0 HB VAL A 95 9.723 2.342 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.960 0.766 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.828 0.193 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.201 0.894 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.682 3.204 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.929 3.497 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.380 4.409 -0.713 1.00 0.00 H new ATOM 824 N PRO A 96 9.646 0.911 3.043 1.00 0.00 N ATOM 825 CA PRO A 96 10.571 0.006 3.774 1.00 0.00 C ATOM 826 C PRO A 96 11.174 -1.103 2.877 1.00 0.00 C ATOM 827 O PRO A 96 10.553 -1.528 1.902 1.00 0.00 O ATOM 828 CB PRO A 96 9.677 -0.588 4.900 1.00 0.00 C ATOM 829 CG PRO A 96 8.273 -0.410 4.417 1.00 0.00 C ATOM 830 CD PRO A 96 8.279 0.882 3.640 1.00 0.00 C ATOM 0 HA PRO A 96 11.446 0.536 4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.905 -1.640 5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.837 -0.070 5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.965 -1.245 3.788 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.573 -0.364 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.504 0.895 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.103 1.742 4.286 1.00 0.00 H new ATOM 838 N ASP A 97 12.392 -1.557 3.232 1.00 0.00 N ATOM 839 CA ASP A 97 13.092 -2.669 2.539 1.00 0.00 C ATOM 840 C ASP A 97 12.324 -3.994 2.736 1.00 0.00 C ATOM 841 O ASP A 97 12.424 -4.920 1.924 1.00 0.00 O ATOM 842 CB ASP A 97 14.537 -2.811 3.082 1.00 0.00 C ATOM 843 CG ASP A 97 15.362 -1.518 2.927 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.869 -1.250 1.814 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.513 -0.760 3.916 1.00 0.00 O ATOM 0 H ASP A 97 12.924 -1.165 4.009 1.00 0.00 H new ATOM 0 HA ASP A 97 13.133 -2.442 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.499 -3.088 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.040 -3.623 2.556 1.00 0.00 H new ATOM 850 N THR A 98 11.560 -4.036 3.841 1.00 0.00 N ATOM 851 CA THR A 98 10.691 -5.157 4.222 1.00 0.00 C ATOM 852 C THR A 98 9.450 -5.259 3.294 1.00 0.00 C ATOM 853 O THR A 98 8.849 -6.330 3.165 1.00 0.00 O ATOM 854 CB THR A 98 10.239 -4.965 5.702 1.00 0.00 C ATOM 855 OG1 THR A 98 9.640 -3.675 5.844 1.00 0.00 O ATOM 856 CG2 THR A 98 11.408 -5.073 6.699 1.00 0.00 C ATOM 0 H THR A 98 11.531 -3.268 4.511 1.00 0.00 H new ATOM 0 HA THR A 98 11.253 -6.085 4.118 1.00 0.00 H new ATOM 0 HB THR A 98 9.531 -5.762 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.643 -3.415 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.035 -4.931 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.868 -6.058 6.616 1.00 0.00 H new ATOM 0 HG23 THR A 98 12.150 -4.306 6.475 1.00 0.00 H new ATOM 864 N PHE A 99 9.078 -4.118 2.666 1.00 0.00 N ATOM 865 CA PHE A 99 7.988 -4.055 1.670 1.00 0.00 C ATOM 866 C PHE A 99 8.422 -4.810 0.407 1.00 0.00 C ATOM 867 O PHE A 99 9.296 -4.352 -0.332 1.00 0.00 O ATOM 868 CB PHE A 99 7.616 -2.579 1.336 1.00 0.00 C ATOM 869 CG PHE A 99 6.466 -2.396 0.329 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.140 -2.356 0.752 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.718 -2.245 -1.037 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.110 -2.174 -0.153 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.688 -2.066 -1.940 1.00 0.00 C ATOM 874 CZ PHE A 99 4.387 -2.029 -1.498 1.00 0.00 C ATOM 0 H PHE A 99 9.526 -3.218 2.837 1.00 0.00 H new ATOM 0 HA PHE A 99 7.096 -4.525 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.348 -2.072 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.502 -2.079 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.913 -2.469 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.737 -2.269 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.087 -2.145 0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.905 -1.955 -2.992 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.581 -1.886 -2.203 1.00 0.00 H new ATOM 884 N LYS A 100 7.839 -5.994 0.214 1.00 0.00 N ATOM 885 CA LYS A 100 8.101 -6.854 -0.951 1.00 0.00 C ATOM 886 C LYS A 100 6.749 -7.355 -1.527 1.00 0.00 C ATOM 887 O LYS A 100 5.744 -7.394 -0.792 1.00 0.00 O ATOM 888 CB LYS A 100 8.999 -8.061 -0.543 1.00 0.00 C ATOM 889 CG LYS A 100 10.373 -7.708 0.080 1.00 0.00 C ATOM 890 CD LYS A 100 11.232 -8.964 0.375 1.00 0.00 C ATOM 891 CE LYS A 100 10.556 -9.935 1.366 1.00 0.00 C ATOM 892 NZ LYS A 100 11.274 -11.227 1.456 1.00 0.00 N ATOM 0 H LYS A 100 7.163 -6.391 0.867 1.00 0.00 H new ATOM 0 HA LYS A 100 8.629 -6.281 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.447 -8.674 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.171 -8.675 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.917 -7.051 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.217 -7.153 1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.433 -9.488 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.195 -8.652 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.514 -9.474 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.527 -10.113 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.786 -11.849 2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.292 -11.680 0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.248 -11.061 1.779 1.00 0.00 H new ATOM 906 N PRO A 101 6.689 -7.730 -2.847 1.00 0.00 N ATOM 907 CA PRO A 101 5.486 -8.360 -3.443 1.00 0.00 C ATOM 908 C PRO A 101 5.250 -9.782 -2.874 1.00 0.00 C ATOM 909 O PRO A 101 6.023 -10.713 -3.140 1.00 0.00 O ATOM 910 CB PRO A 101 5.810 -8.380 -4.959 1.00 0.00 C ATOM 911 CG PRO A 101 7.303 -8.363 -5.040 1.00 0.00 C ATOM 912 CD PRO A 101 7.765 -7.538 -3.863 1.00 0.00 C ATOM 0 HA PRO A 101 4.564 -7.823 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.400 -9.269 -5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.378 -7.517 -5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.709 -9.373 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.639 -7.927 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.731 -7.878 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.879 -6.488 -4.131 1.00 0.00 H new ATOM 920 N GLY A 102 4.183 -9.919 -2.075 1.00 0.00 N ATOM 921 CA GLY A 102 3.866 -11.174 -1.380 1.00 0.00 C ATOM 922 C GLY A 102 3.796 -10.989 0.132 1.00 0.00 C ATOM 923 O GLY A 102 3.337 -11.886 0.850 1.00 0.00 O ATOM 0 H GLY A 102 3.518 -9.167 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.913 -11.558 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.622 -11.922 -1.619 1.00 0.00 H new ATOM 927 N VAL A 103 4.261 -9.819 0.614 1.00 0.00 N ATOM 928 CA VAL A 103 4.174 -9.434 2.030 1.00 0.00 C ATOM 929 C VAL A 103 2.772 -8.877 2.326 1.00 0.00 C ATOM 930 O VAL A 103 2.296 -7.964 1.633 1.00 0.00 O ATOM 931 CB VAL A 103 5.287 -8.381 2.417 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.115 -7.843 3.864 1.00 0.00 C ATOM 933 CG2 VAL A 103 6.699 -8.993 2.234 1.00 0.00 C ATOM 0 H VAL A 103 4.708 -9.115 0.027 1.00 0.00 H new ATOM 0 HA VAL A 103 4.346 -10.322 2.639 1.00 0.00 H new ATOM 0 HB VAL A 103 5.173 -7.533 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.904 -7.123 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.144 -7.356 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.176 -8.671 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.454 -8.254 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.802 -9.869 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.836 -9.287 1.193 1.00 0.00 H new ATOM 943 N GLU A 104 2.107 -9.482 3.318 1.00 0.00 N ATOM 944 CA GLU A 104 0.817 -9.016 3.828 1.00 0.00 C ATOM 945 C GLU A 104 1.038 -7.703 4.604 1.00 0.00 C ATOM 946 O GLU A 104 1.809 -7.678 5.573 1.00 0.00 O ATOM 947 CB GLU A 104 0.197 -10.105 4.740 1.00 0.00 C ATOM 948 CG GLU A 104 -1.274 -9.874 5.112 1.00 0.00 C ATOM 949 CD GLU A 104 -1.845 -10.956 6.043 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.705 -12.160 5.735 1.00 0.00 O ATOM 951 OE2 GLU A 104 -2.434 -10.616 7.086 1.00 0.00 O ATOM 0 H GLU A 104 2.455 -10.316 3.792 1.00 0.00 H new ATOM 0 HA GLU A 104 0.126 -8.829 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.283 -11.070 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.783 -10.168 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.371 -8.902 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.870 -9.838 4.200 1.00 0.00 H new ATOM 958 N VAL A 105 0.404 -6.612 4.141 1.00 0.00 N ATOM 959 CA VAL A 105 0.586 -5.267 4.731 1.00 0.00 C ATOM 960 C VAL A 105 -0.741 -4.684 5.242 1.00 0.00 C ATOM 961 O VAL A 105 -1.834 -5.043 4.772 1.00 0.00 O ATOM 962 CB VAL A 105 1.277 -4.243 3.739 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.648 -4.766 3.249 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.353 -3.867 2.551 1.00 0.00 C ATOM 0 H VAL A 105 -0.245 -6.633 3.354 1.00 0.00 H new ATOM 0 HA VAL A 105 1.258 -5.410 5.577 1.00 0.00 H new ATOM 0 HB VAL A 105 1.457 -3.327 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.094 -4.039 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.307 -4.916 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.511 -5.713 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.869 -3.163 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.100 -4.766 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.560 -3.408 2.931 1.00 0.00 H new ATOM 974 N ILE A 106 -0.613 -3.784 6.223 1.00 0.00 N ATOM 975 CA ILE A 106 -1.698 -2.996 6.770 1.00 0.00 C ATOM 976 C ILE A 106 -1.438 -1.535 6.377 1.00 0.00 C ATOM 977 O ILE A 106 -0.434 -0.945 6.785 1.00 0.00 O ATOM 978 CB ILE A 106 -1.757 -3.101 8.334 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.838 -4.583 8.810 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.949 -2.293 8.870 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.857 -4.775 10.319 1.00 0.00 C ATOM 0 H ILE A 106 0.284 -3.585 6.666 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.647 -3.363 6.379 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.834 -2.683 8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.737 -5.035 8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.987 -5.127 8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.983 -2.371 9.957 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.837 -1.247 8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.874 -2.687 8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.915 -5.839 10.550 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.947 -4.359 10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.724 -4.265 10.740 1.00 0.00 H new ATOM 993 N ILE A 107 -2.319 -0.976 5.560 1.00 0.00 N ATOM 994 CA ILE A 107 -2.245 0.435 5.143 1.00 0.00 C ATOM 995 C ILE A 107 -3.248 1.262 5.967 1.00 0.00 C ATOM 996 O ILE A 107 -4.169 0.703 6.581 1.00 0.00 O ATOM 997 CB ILE A 107 -2.566 0.585 3.611 1.00 0.00 C ATOM 998 CG1 ILE A 107 -4.027 0.125 3.321 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.545 -0.204 2.746 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.496 0.279 1.897 1.00 0.00 C ATOM 0 H ILE A 107 -3.111 -1.481 5.161 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.232 0.798 5.317 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.477 1.637 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.119 -0.924 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.700 0.689 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.791 -0.082 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.541 0.177 2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.586 -1.261 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.524 -0.072 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.446 1.329 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.857 -0.309 1.238 1.00 0.00 H new ATOM 1012 N GLU A 108 -3.068 2.582 5.975 1.00 0.00 N ATOM 1013 CA GLU A 108 -4.011 3.512 6.598 1.00 0.00 C ATOM 1014 C GLU A 108 -3.991 4.837 5.826 1.00 0.00 C ATOM 1015 O GLU A 108 -2.918 5.377 5.537 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.653 3.748 8.086 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.578 4.743 8.811 1.00 0.00 C ATOM 1018 CD GLU A 108 -4.051 5.171 10.189 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -2.986 5.829 10.244 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.687 4.851 11.220 1.00 0.00 O ATOM 0 H GLU A 108 -2.262 3.039 5.549 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.012 3.083 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.684 2.793 8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.628 4.113 8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.707 5.628 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.563 4.291 8.931 1.00 0.00 H new ATOM 1027 N GLY A 109 -5.185 5.349 5.514 1.00 0.00 N ATOM 1028 CA GLY A 109 -5.347 6.574 4.749 1.00 0.00 C ATOM 1029 C GLY A 109 -6.800 6.773 4.378 1.00 0.00 C ATOM 1030 O GLY A 109 -7.641 6.909 5.268 1.00 0.00 O ATOM 0 H GLY A 109 -6.067 4.918 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.994 7.424 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.737 6.531 3.847 1.00 0.00 H new ATOM 1034 N GLY A 110 -7.109 6.784 3.073 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.499 6.807 2.620 1.00 0.00 C ATOM 1036 C GLY A 110 -8.618 6.822 1.102 1.00 0.00 C ATOM 1037 O GLY A 110 -7.761 7.380 0.414 1.00 0.00 O ATOM 0 H GLY A 110 -6.419 6.777 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.020 5.934 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.996 7.687 3.029 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.671 6.173 0.581 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.047 6.235 -0.838 1.00 0.00 C ATOM 1043 C LEU A 111 -11.074 7.362 -1.010 1.00 0.00 C ATOM 1044 O LEU A 111 -12.182 7.289 -0.461 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.628 4.864 -1.298 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.083 4.749 -2.791 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.922 5.039 -3.762 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.701 3.359 -3.078 1.00 0.00 C ATOM 0 H LEU A 111 -10.290 5.585 1.139 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.175 6.443 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.875 4.098 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.483 4.629 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.850 5.506 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.276 4.950 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.550 6.050 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.118 4.323 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.009 3.306 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.961 2.584 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.569 3.207 -2.436 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.681 8.407 -1.750 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.504 9.613 -1.934 1.00 0.00 C ATOM 1062 C ALA A 112 -12.549 9.378 -3.046 1.00 0.00 C ATOM 1063 O ALA A 112 -12.202 8.795 -4.086 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.615 10.831 -2.269 1.00 0.00 C ATOM 0 H ALA A 112 -9.786 8.442 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.029 9.823 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -11.241 11.713 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.912 11.004 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.063 10.637 -3.189 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.857 9.772 -2.828 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.890 9.765 -3.896 1.00 0.00 C ATOM 1072 C PRO A 113 -14.476 10.641 -5.104 1.00 0.00 C ATOM 1073 O PRO A 113 -14.486 11.876 -5.021 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.160 10.320 -3.183 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.923 10.042 -1.730 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.434 10.206 -1.524 1.00 0.00 C ATOM 0 HA PRO A 113 -15.048 8.773 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.285 11.387 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.064 9.826 -3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.484 10.733 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.247 9.036 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.171 11.238 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.072 9.592 -0.700 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.060 9.976 -6.194 1.00 0.00 N ATOM 1085 CA GLY A 114 -13.569 10.649 -7.409 1.00 0.00 C ATOM 1086 C GLY A 114 -12.149 10.213 -7.755 1.00 0.00 C ATOM 1087 O GLY A 114 -11.758 10.199 -8.930 1.00 0.00 O ATOM 0 H GLY A 114 -14.054 8.958 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.233 10.425 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.594 11.729 -7.263 1.00 0.00 H new ATOM 1091 N GLU A 115 -11.373 9.860 -6.717 1.00 0.00 N ATOM 1092 CA GLU A 115 -10.002 9.339 -6.849 1.00 0.00 C ATOM 1093 C GLU A 115 -10.019 7.799 -6.935 1.00 0.00 C ATOM 1094 O GLU A 115 -10.686 7.136 -6.139 1.00 0.00 O ATOM 1095 CB GLU A 115 -9.156 9.818 -5.640 1.00 0.00 C ATOM 1096 CG GLU A 115 -7.696 9.334 -5.624 1.00 0.00 C ATOM 1097 CD GLU A 115 -6.896 9.730 -6.878 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -6.397 10.875 -6.945 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -6.755 8.892 -7.801 1.00 0.00 O ATOM 0 H GLU A 115 -11.685 9.930 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.554 9.718 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.160 10.908 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.642 9.484 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.198 9.740 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.684 8.249 -5.525 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.277 7.243 -7.913 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.193 5.778 -8.140 1.00 0.00 C ATOM 1108 C ASP A 116 -8.084 5.116 -7.291 1.00 0.00 C ATOM 1109 O ASP A 116 -7.952 3.884 -7.310 1.00 0.00 O ATOM 1110 CB ASP A 116 -8.952 5.465 -9.645 1.00 0.00 C ATOM 1111 CG ASP A 116 -10.067 5.979 -10.570 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -11.142 5.341 -10.639 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -9.876 7.017 -11.240 1.00 0.00 O ATOM 0 H ASP A 116 -8.719 7.791 -8.568 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.150 5.359 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -8.005 5.908 -9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -8.855 4.387 -9.772 1.00 0.00 H new ATOM 1118 N THR A 117 -7.277 5.912 -6.559 1.00 0.00 N ATOM 1119 CA THR A 117 -6.217 5.377 -5.679 1.00 0.00 C ATOM 1120 C THR A 117 -6.497 5.672 -4.190 1.00 0.00 C ATOM 1121 O THR A 117 -6.935 6.772 -3.830 1.00 0.00 O ATOM 1122 CB THR A 117 -4.803 5.917 -6.068 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.807 7.347 -6.112 1.00 0.00 O ATOM 1124 CG2 THR A 117 -4.326 5.360 -7.423 1.00 0.00 C ATOM 0 H THR A 117 -7.340 6.930 -6.560 1.00 0.00 H new ATOM 0 HA THR A 117 -6.224 4.297 -5.824 1.00 0.00 H new ATOM 0 HB THR A 117 -4.108 5.577 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.411 7.651 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.339 5.761 -7.654 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.273 4.273 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.028 5.652 -8.204 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.255 4.656 -3.337 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.354 4.769 -1.878 1.00 0.00 C ATOM 1134 C PHE A 118 -5.082 5.474 -1.382 1.00 0.00 C ATOM 1135 O PHE A 118 -3.999 4.898 -1.438 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.494 3.351 -1.240 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.750 3.336 0.276 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.714 3.525 1.196 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -8.031 3.122 0.777 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.953 3.498 2.555 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -8.268 3.096 2.139 1.00 0.00 C ATOM 1142 CZ PHE A 118 -7.230 3.283 3.027 1.00 0.00 C ATOM 0 H PHE A 118 -5.982 3.725 -3.652 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.234 5.344 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.311 2.827 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.584 2.787 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.710 3.695 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.852 2.974 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -5.139 3.645 3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -9.269 2.929 2.508 1.00 0.00 H new ATOM 0 HZ PHE A 118 -7.417 3.261 4.090 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.226 6.704 -0.884 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.082 7.518 -0.458 1.00 0.00 C ATOM 1154 C LYS A 119 -3.675 7.101 0.964 1.00 0.00 C ATOM 1155 O LYS A 119 -4.252 7.572 1.946 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.438 9.028 -0.534 1.00 0.00 C ATOM 1157 CG LYS A 119 -4.907 9.490 -1.934 1.00 0.00 C ATOM 1158 CD LYS A 119 -5.212 11.007 -1.996 1.00 0.00 C ATOM 1159 CE LYS A 119 -5.719 11.453 -3.379 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.919 12.923 -3.473 1.00 0.00 N ATOM 0 H LYS A 119 -6.130 7.162 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.236 7.352 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.223 9.243 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.565 9.612 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.138 9.249 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.801 8.933 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.959 11.255 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.310 11.566 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.006 11.139 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.660 10.948 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.261 13.167 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.620 13.224 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.017 13.408 -3.294 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.707 6.171 1.048 1.00 0.00 N ATOM 1175 CA ALA A 120 -2.191 5.644 2.317 1.00 0.00 C ATOM 1176 C ALA A 120 -1.155 6.614 2.908 1.00 0.00 C ATOM 1177 O ALA A 120 -0.048 6.749 2.374 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.568 4.249 2.117 1.00 0.00 C ATOM 0 H ALA A 120 -2.259 5.763 0.228 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.023 5.547 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -1.192 3.878 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.325 3.564 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.746 4.316 1.405 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.538 7.304 3.999 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.653 8.235 4.730 1.00 0.00 C ATOM 1186 C ARG A 121 0.363 7.476 5.615 1.00 0.00 C ATOM 1187 O ARG A 121 1.388 8.036 6.013 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.506 9.276 5.534 1.00 0.00 C ATOM 1189 CG ARG A 121 -2.630 8.720 6.464 1.00 0.00 C ATOM 1190 CD ARG A 121 -2.133 8.199 7.832 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.426 9.247 8.606 1.00 0.00 N ATOM 1192 CZ ARG A 121 -1.480 9.414 9.941 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -2.209 8.607 10.701 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -0.792 10.392 10.512 1.00 0.00 N ATOM 0 H ARG A 121 -2.473 7.232 4.401 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.058 8.794 4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.825 9.868 6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.967 9.957 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.365 9.507 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.144 7.910 5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.982 7.833 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.465 7.352 7.676 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.846 9.901 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.739 7.847 10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.239 8.747 11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.223 11.016 9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.831 10.520 11.523 1.00 0.00 H new ATOM 1208 N THR A 122 0.061 6.202 5.920 1.00 0.00 N ATOM 1209 CA THR A 122 0.972 5.284 6.635 1.00 0.00 C ATOM 1210 C THR A 122 0.918 3.875 5.995 1.00 0.00 C ATOM 1211 O THR A 122 -0.068 3.508 5.335 1.00 0.00 O ATOM 1212 CB THR A 122 0.637 5.186 8.171 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.761 4.947 8.343 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.046 6.448 8.958 1.00 0.00 C ATOM 0 H THR A 122 -0.832 5.774 5.675 1.00 0.00 H new ATOM 0 HA THR A 122 1.978 5.693 6.544 1.00 0.00 H new ATOM 0 HB THR A 122 1.219 4.356 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.091 5.469 9.104 1.00 0.00 H new ATOM 0 HG21 THR A 122 0.790 6.320 10.010 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.121 6.604 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.517 7.313 8.558 1.00 0.00 H new ATOM 1222 N LEU A 123 1.998 3.104 6.211 1.00 0.00 N ATOM 1223 CA LEU A 123 2.190 1.747 5.668 1.00 0.00 C ATOM 1224 C LEU A 123 2.806 0.866 6.776 1.00 0.00 C ATOM 1225 O LEU A 123 3.641 1.345 7.547 1.00 0.00 O ATOM 1226 CB LEU A 123 3.128 1.832 4.425 1.00 0.00 C ATOM 1227 CG LEU A 123 3.485 0.498 3.693 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.233 -0.176 3.092 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.567 0.740 2.613 1.00 0.00 C ATOM 0 H LEU A 123 2.783 3.415 6.783 1.00 0.00 H new ATOM 0 HA LEU A 123 1.243 1.307 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.663 2.499 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.060 2.302 4.739 1.00 0.00 H new ATOM 0 HG LEU A 123 3.893 -0.189 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.522 -1.100 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.523 -0.401 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.768 0.497 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.801 -0.201 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.195 1.456 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.467 1.136 3.082 1.00 0.00 H new ATOM 1241 N MET A 124 2.370 -0.399 6.876 1.00 0.00 N ATOM 1242 CA MET A 124 2.899 -1.367 7.865 1.00 0.00 C ATOM 1243 C MET A 124 3.119 -2.723 7.189 1.00 0.00 C ATOM 1244 O MET A 124 2.181 -3.320 6.702 1.00 0.00 O ATOM 1245 CB MET A 124 1.906 -1.536 9.052 1.00 0.00 C ATOM 1246 CG MET A 124 2.341 -2.563 10.121 1.00 0.00 C ATOM 1247 SD MET A 124 1.066 -2.878 11.367 1.00 0.00 S ATOM 1248 CE MET A 124 0.773 -1.228 12.002 1.00 0.00 C ATOM 0 H MET A 124 1.641 -0.785 6.276 1.00 0.00 H new ATOM 0 HA MET A 124 3.846 -0.988 8.250 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.769 -0.568 9.533 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.936 -1.835 8.656 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.600 -3.501 9.630 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.243 -2.203 10.616 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.207 -1.291 12.931 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.727 -0.736 12.191 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.207 -0.652 11.270 1.00 0.00 H new ATOM 1258 N THR A 125 4.362 -3.190 7.173 1.00 0.00 N ATOM 1259 CA THR A 125 4.737 -4.503 6.615 1.00 0.00 C ATOM 1260 C THR A 125 4.913 -5.535 7.753 1.00 0.00 C ATOM 1261 O THR A 125 5.368 -5.172 8.847 1.00 0.00 O ATOM 1262 CB THR A 125 6.055 -4.348 5.801 1.00 0.00 C ATOM 1263 OG1 THR A 125 7.064 -3.771 6.638 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.864 -3.448 4.574 1.00 0.00 C ATOM 0 H THR A 125 5.154 -2.669 7.549 1.00 0.00 H new ATOM 0 HA THR A 125 3.948 -4.863 5.954 1.00 0.00 H new ATOM 0 HB THR A 125 6.352 -5.339 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.935 -3.840 6.195 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.807 -3.365 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.107 -3.880 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.542 -2.457 4.896 1.00 0.00 H new ATOM 1272 N LYS A 126 4.545 -6.810 7.496 1.00 0.00 N ATOM 1273 CA LYS A 126 4.617 -7.887 8.513 1.00 0.00 C ATOM 1274 C LYS A 126 5.868 -8.761 8.308 1.00 0.00 C ATOM 1275 O LYS A 126 6.656 -8.943 9.243 1.00 0.00 O ATOM 1276 CB LYS A 126 3.319 -8.733 8.480 1.00 0.00 C ATOM 1277 CG LYS A 126 2.055 -7.931 8.840 1.00 0.00 C ATOM 1278 CD LYS A 126 0.761 -8.755 8.734 1.00 0.00 C ATOM 1279 CE LYS A 126 -0.465 -7.929 9.119 1.00 0.00 C ATOM 1280 NZ LYS A 126 -1.727 -8.681 8.982 1.00 0.00 N ATOM 0 H LYS A 126 4.194 -7.121 6.590 1.00 0.00 H new ATOM 0 HA LYS A 126 4.704 -7.432 9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 126 3.198 -9.160 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.421 -9.567 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 126 2.152 -7.550 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.982 -7.066 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.646 -9.124 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 126 0.831 -9.628 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.360 -7.589 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.508 -7.038 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.513 -8.016 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.661 -9.324 8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.897 -9.234 9.846 1.00 0.00 H new