USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 603 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 73 SER OG : rot -173:sc= -2.02! USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -153:sc= -0.0202 (180deg=-1.28!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00212) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -2.32! X(o=-2.3!,f=-1.9) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 125 LYS NZ :NH3+ -149:sc= 0.208 (180deg=0.00577) USER MOD Single : A 130 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.013) USER MOD Single : A 131 MET CE :methyl 135:sc= -1.45 (180deg=-5.89!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.906 3.081 6.957 1.00 0.00 N ATOM 200 CA SER A 73 -3.501 3.026 6.571 1.00 0.00 C ATOM 201 C SER A 73 -3.335 2.339 5.219 1.00 0.00 C ATOM 202 O SER A 73 -2.501 1.446 5.063 1.00 0.00 O ATOM 203 CB SER A 73 -2.686 2.288 7.635 1.00 0.00 C ATOM 204 OG SER A 73 -1.311 2.621 7.547 1.00 0.00 O ATOM 0 HA SER A 73 -3.133 4.049 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.062 2.542 8.626 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.811 1.212 7.512 1.00 0.00 H new ATOM 0 HG SER A 73 -0.797 2.055 8.160 1.00 0.00 H new ATOM 210 N ARG A 74 -4.134 2.761 4.246 1.00 0.00 N ATOM 211 CA ARG A 74 -4.078 2.186 2.907 1.00 0.00 C ATOM 212 C ARG A 74 -2.894 2.746 2.124 1.00 0.00 C ATOM 213 O ARG A 74 -2.438 3.862 2.380 1.00 0.00 O ATOM 214 CB ARG A 74 -5.379 2.466 2.153 1.00 0.00 C ATOM 215 CG ARG A 74 -6.425 1.376 2.317 1.00 0.00 C ATOM 216 CD ARG A 74 -6.301 0.317 1.232 1.00 0.00 C ATOM 217 NE ARG A 74 -7.093 0.649 0.051 1.00 0.00 N ATOM 218 CZ ARG A 74 -8.418 0.738 0.057 1.00 0.00 C ATOM 219 NH1 ARG A 74 -9.096 0.523 1.176 1.00 0.00 N ATOM 220 NH2 ARG A 74 -9.069 1.044 -1.059 1.00 0.00 N ATOM 0 H ARG A 74 -4.828 3.499 4.359 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.949 1.108 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.794 3.412 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.156 2.587 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.316 0.910 3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.421 1.818 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.254 0.210 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.625 -0.646 1.627 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.602 0.822 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.600 0.288 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.114 0.592 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.551 1.211 -1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.087 1.112 -1.053 1.00 0.00 H new ATOM 234 N LEU A 75 -2.399 1.965 1.171 1.00 0.00 N ATOM 235 CA LEU A 75 -1.267 2.382 0.350 1.00 0.00 C ATOM 236 C LEU A 75 -1.516 2.067 -1.121 1.00 0.00 C ATOM 237 O LEU A 75 -1.867 0.941 -1.475 1.00 0.00 O ATOM 238 CB LEU A 75 0.013 1.690 0.823 1.00 0.00 C ATOM 239 CG LEU A 75 0.642 2.244 2.102 1.00 0.00 C ATOM 240 CD1 LEU A 75 1.686 1.280 2.643 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.257 3.611 1.845 1.00 0.00 C ATOM 0 H LEU A 75 -2.763 1.039 0.947 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.150 3.460 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.205 0.633 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.751 1.750 0.023 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.142 2.356 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.123 1.690 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.216 0.322 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.468 1.135 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.700 3.990 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.029 3.525 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.484 4.300 1.504 1.00 0.00 H new ATOM 253 N PHE A 76 -1.329 3.068 -1.975 1.00 0.00 N ATOM 254 CA PHE A 76 -1.532 2.897 -3.409 1.00 0.00 C ATOM 255 C PHE A 76 -0.204 2.659 -4.122 1.00 0.00 C ATOM 256 O PHE A 76 0.705 3.488 -4.058 1.00 0.00 O ATOM 257 CB PHE A 76 -2.226 4.127 -3.998 1.00 0.00 C ATOM 258 CG PHE A 76 -2.473 4.026 -5.476 1.00 0.00 C ATOM 259 CD1 PHE A 76 -1.432 4.174 -6.377 1.00 0.00 C ATOM 260 CD2 PHE A 76 -3.747 3.783 -5.964 1.00 0.00 C ATOM 261 CE1 PHE A 76 -1.657 4.083 -7.738 1.00 0.00 C ATOM 262 CE2 PHE A 76 -3.978 3.690 -7.323 1.00 0.00 C ATOM 263 CZ PHE A 76 -2.931 3.839 -8.211 1.00 0.00 C ATOM 0 H PHE A 76 -1.037 4.006 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.167 2.024 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.178 4.276 -3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.616 5.008 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.433 4.363 -6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.569 3.665 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.837 4.203 -8.431 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.976 3.501 -7.690 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.108 3.765 -9.274 1.00 0.00 H new ATOM 273 N VAL A 77 -0.099 1.522 -4.801 1.00 0.00 N ATOM 274 CA VAL A 77 1.117 1.174 -5.526 1.00 0.00 C ATOM 275 C VAL A 77 0.869 1.136 -7.030 1.00 0.00 C ATOM 276 O VAL A 77 0.162 0.263 -7.531 1.00 0.00 O ATOM 277 CB VAL A 77 1.670 -0.191 -5.074 1.00 0.00 C ATOM 278 CG1 VAL A 77 3.071 -0.409 -5.625 1.00 0.00 C ATOM 279 CG2 VAL A 77 1.663 -0.292 -3.556 1.00 0.00 C ATOM 0 H VAL A 77 -0.842 0.826 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 77 1.851 1.948 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 77 1.024 -0.975 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.445 -1.378 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.042 -0.383 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.732 0.378 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.057 -1.263 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.285 0.499 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.642 -0.184 -3.189 1.00 0.00 H new ATOM 289 N GLY A 78 1.455 2.091 -7.745 1.00 0.00 N ATOM 290 CA GLY A 78 1.285 2.149 -9.186 1.00 0.00 C ATOM 291 C GLY A 78 2.557 1.803 -9.934 1.00 0.00 C ATOM 292 O GLY A 78 3.624 1.678 -9.334 1.00 0.00 O ATOM 0 H GLY A 78 2.044 2.825 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.494 1.461 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.961 3.150 -9.471 1.00 0.00 H new ATOM 296 N ASN A 79 2.444 1.644 -11.249 1.00 0.00 N ATOM 297 CA ASN A 79 3.594 1.307 -12.080 1.00 0.00 C ATOM 298 C ASN A 79 4.187 -0.037 -11.668 1.00 0.00 C ATOM 299 O ASN A 79 5.407 -0.204 -11.628 1.00 0.00 O ATOM 300 CB ASN A 79 4.660 2.400 -11.979 1.00 0.00 C ATOM 301 CG ASN A 79 4.473 3.487 -13.019 1.00 0.00 C ATOM 302 OD1 ASN A 79 3.409 4.100 -13.109 1.00 0.00 O ATOM 303 ND2 ASN A 79 5.510 3.732 -13.812 1.00 0.00 N ATOM 0 H ASN A 79 1.568 1.743 -11.762 1.00 0.00 H new ATOM 0 HA ASN A 79 3.255 1.233 -13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.629 2.844 -10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.647 1.953 -12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.443 4.453 -14.531 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.373 3.200 -13.702 1.00 0.00 H new ATOM 310 N LEU A 80 3.317 -0.993 -11.363 1.00 0.00 N ATOM 311 CA LEU A 80 3.754 -2.324 -10.954 1.00 0.00 C ATOM 312 C LEU A 80 4.179 -3.152 -12.163 1.00 0.00 C ATOM 313 O LEU A 80 3.578 -3.083 -13.236 1.00 0.00 O ATOM 314 CB LEU A 80 2.633 -3.040 -10.199 1.00 0.00 C ATOM 315 CG LEU A 80 2.438 -2.629 -8.740 1.00 0.00 C ATOM 316 CD1 LEU A 80 1.128 -3.182 -8.200 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.609 -3.101 -7.890 1.00 0.00 C ATOM 0 H LEU A 80 2.305 -0.872 -11.391 1.00 0.00 H new ATOM 0 HA LEU A 80 4.614 -2.211 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.697 -2.870 -10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.828 -4.112 -10.231 1.00 0.00 H new ATOM 0 HG LEU A 80 2.397 -1.541 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.006 -2.879 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.298 -2.794 -8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.139 -4.270 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.452 -2.799 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.683 -4.187 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.532 -2.655 -8.262 1.00 0.00 H new ATOM 329 N PRO A 81 5.238 -3.956 -11.987 1.00 0.00 N ATOM 330 CA PRO A 81 5.765 -4.815 -13.051 1.00 0.00 C ATOM 331 C PRO A 81 4.823 -5.966 -13.386 1.00 0.00 C ATOM 332 O PRO A 81 4.035 -6.418 -12.555 1.00 0.00 O ATOM 333 CB PRO A 81 7.073 -5.348 -12.461 1.00 0.00 C ATOM 334 CG PRO A 81 6.876 -5.285 -10.985 1.00 0.00 C ATOM 335 CD PRO A 81 6.002 -4.088 -10.735 1.00 0.00 C ATOM 0 HA PRO A 81 5.894 -4.272 -13.987 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.270 -6.368 -12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.924 -4.742 -12.773 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.406 -6.196 -10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.830 -5.186 -10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.346 -4.241 -9.878 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.592 -3.195 -10.529 1.00 0.00 H new ATOM 343 N PRO A 82 4.905 -6.455 -14.633 1.00 0.00 N ATOM 344 CA PRO A 82 4.068 -7.561 -15.106 1.00 0.00 C ATOM 345 C PRO A 82 4.440 -8.889 -14.456 1.00 0.00 C ATOM 346 O PRO A 82 3.831 -9.922 -14.737 1.00 0.00 O ATOM 347 CB PRO A 82 4.352 -7.603 -16.609 1.00 0.00 C ATOM 348 CG PRO A 82 5.709 -7.007 -16.755 1.00 0.00 C ATOM 349 CD PRO A 82 5.822 -5.966 -15.676 1.00 0.00 C ATOM 0 HA PRO A 82 3.017 -7.410 -14.861 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.325 -8.624 -16.988 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.608 -7.036 -17.168 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.483 -7.767 -16.647 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.836 -6.562 -17.742 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.843 -5.881 -15.305 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.531 -4.980 -16.037 1.00 0.00 H new ATOM 357 N ASP A 83 5.443 -8.856 -13.585 1.00 0.00 N ATOM 358 CA ASP A 83 5.896 -10.057 -12.894 1.00 0.00 C ATOM 359 C ASP A 83 5.645 -9.948 -11.393 1.00 0.00 C ATOM 360 O ASP A 83 6.372 -10.531 -10.588 1.00 0.00 O ATOM 361 CB ASP A 83 7.384 -10.294 -13.159 1.00 0.00 C ATOM 362 CG ASP A 83 7.741 -10.151 -14.625 1.00 0.00 C ATOM 363 OD1 ASP A 83 7.682 -11.165 -15.351 1.00 0.00 O ATOM 364 OD2 ASP A 83 8.080 -9.025 -15.046 1.00 0.00 O ATOM 0 H ASP A 83 5.958 -8.010 -13.341 1.00 0.00 H new ATOM 0 HA ASP A 83 5.327 -10.904 -13.279 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.971 -9.586 -12.574 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.656 -11.293 -12.818 1.00 0.00 H new ATOM 369 N ILE A 84 4.612 -9.197 -11.025 1.00 0.00 N ATOM 370 CA ILE A 84 4.265 -9.012 -9.621 1.00 0.00 C ATOM 371 C ILE A 84 3.036 -9.832 -9.245 1.00 0.00 C ATOM 372 O ILE A 84 2.015 -9.793 -9.933 1.00 0.00 O ATOM 373 CB ILE A 84 3.998 -7.530 -9.298 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.804 -7.340 -7.792 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.779 -7.033 -10.061 1.00 0.00 C ATOM 376 CD1 ILE A 84 5.098 -7.125 -7.039 1.00 0.00 C ATOM 0 H ILE A 84 4.001 -8.707 -11.679 1.00 0.00 H new ATOM 0 HA ILE A 84 5.119 -9.355 -9.037 1.00 0.00 H new ATOM 0 HB ILE A 84 4.862 -6.944 -9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.148 -6.486 -7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.298 -8.216 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.603 -5.984 -9.822 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.953 -7.137 -11.132 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.907 -7.621 -9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.885 -6.998 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.747 -7.989 -7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.596 -6.233 -7.419 1.00 0.00 H new ATOM 388 N THR A 85 3.139 -10.574 -8.147 1.00 0.00 N ATOM 389 CA THR A 85 2.037 -11.404 -7.679 1.00 0.00 C ATOM 390 C THR A 85 1.769 -11.176 -6.195 1.00 0.00 C ATOM 391 O THR A 85 2.552 -10.522 -5.508 1.00 0.00 O ATOM 392 CB THR A 85 2.319 -12.900 -7.914 1.00 0.00 C ATOM 393 OG1 THR A 85 3.433 -13.319 -7.117 1.00 0.00 O ATOM 394 CG2 THR A 85 2.609 -13.171 -9.382 1.00 0.00 C ATOM 0 H THR A 85 3.976 -10.617 -7.565 1.00 0.00 H new ATOM 0 HA THR A 85 1.158 -11.114 -8.254 1.00 0.00 H new ATOM 0 HB THR A 85 1.433 -13.465 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.605 -14.271 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.805 -14.234 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.748 -12.877 -9.983 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.482 -12.596 -9.693 1.00 0.00 H new ATOM 402 N GLU A 86 0.658 -11.720 -5.709 1.00 0.00 N ATOM 403 CA GLU A 86 0.288 -11.574 -4.306 1.00 0.00 C ATOM 404 C GLU A 86 1.429 -12.016 -3.394 1.00 0.00 C ATOM 405 O GLU A 86 1.666 -11.417 -2.345 1.00 0.00 O ATOM 406 CB GLU A 86 -0.969 -12.391 -3.999 1.00 0.00 C ATOM 407 CG GLU A 86 -2.260 -11.692 -4.392 1.00 0.00 C ATOM 408 CD GLU A 86 -3.458 -12.621 -4.366 1.00 0.00 C ATOM 409 OE1 GLU A 86 -3.495 -13.564 -5.184 1.00 0.00 O ATOM 410 OE2 GLU A 86 -4.358 -12.406 -3.527 1.00 0.00 O ATOM 0 H GLU A 86 -0.001 -12.265 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 86 0.083 -10.520 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.909 -13.345 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.996 -12.613 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.438 -10.857 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.152 -11.273 -5.392 1.00 0.00 H new ATOM 417 N GLU A 87 2.132 -13.068 -3.802 1.00 0.00 N ATOM 418 CA GLU A 87 3.247 -13.590 -3.021 1.00 0.00 C ATOM 419 C GLU A 87 4.347 -12.543 -2.875 1.00 0.00 C ATOM 420 O GLU A 87 4.738 -12.189 -1.763 1.00 0.00 O ATOM 421 CB GLU A 87 3.812 -14.851 -3.677 1.00 0.00 C ATOM 422 CG GLU A 87 4.931 -15.502 -2.882 1.00 0.00 C ATOM 423 CD GLU A 87 5.658 -16.575 -3.669 1.00 0.00 C ATOM 424 OE1 GLU A 87 5.611 -16.530 -4.916 1.00 0.00 O ATOM 425 OE2 GLU A 87 6.273 -17.460 -3.039 1.00 0.00 O ATOM 0 H GLU A 87 1.949 -13.575 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 87 2.875 -13.841 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.006 -15.572 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.183 -14.598 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.644 -14.738 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.519 -15.940 -1.973 1.00 0.00 H new ATOM 432 N GLU A 88 4.842 -12.052 -4.007 1.00 0.00 N ATOM 433 CA GLU A 88 5.898 -11.046 -4.005 1.00 0.00 C ATOM 434 C GLU A 88 5.502 -9.842 -3.155 1.00 0.00 C ATOM 435 O GLU A 88 6.266 -9.394 -2.302 1.00 0.00 O ATOM 436 CB GLU A 88 6.205 -10.595 -5.435 1.00 0.00 C ATOM 437 CG GLU A 88 7.129 -11.540 -6.186 1.00 0.00 C ATOM 438 CD GLU A 88 6.875 -12.996 -5.846 1.00 0.00 C ATOM 439 OE1 GLU A 88 7.132 -13.388 -4.689 1.00 0.00 O ATOM 440 OE2 GLU A 88 6.420 -13.743 -6.737 1.00 0.00 O ATOM 0 H GLU A 88 4.529 -12.334 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 88 6.792 -11.496 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.269 -10.501 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.658 -9.604 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.000 -11.393 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.164 -11.291 -5.953 1.00 0.00 H new ATOM 447 N MET A 89 4.301 -9.325 -3.395 1.00 0.00 N ATOM 448 CA MET A 89 3.803 -8.174 -2.652 1.00 0.00 C ATOM 449 C MET A 89 3.950 -8.392 -1.149 1.00 0.00 C ATOM 450 O MET A 89 4.404 -7.507 -0.425 1.00 0.00 O ATOM 451 CB MET A 89 2.337 -7.910 -3.000 1.00 0.00 C ATOM 452 CG MET A 89 1.791 -6.625 -2.400 1.00 0.00 C ATOM 453 SD MET A 89 0.421 -5.941 -3.351 1.00 0.00 S ATOM 454 CE MET A 89 0.923 -4.227 -3.486 1.00 0.00 C ATOM 0 H MET A 89 3.655 -9.685 -4.098 1.00 0.00 H new ATOM 0 HA MET A 89 4.398 -7.306 -2.935 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.231 -7.868 -4.084 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.733 -8.748 -2.653 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.459 -6.817 -1.380 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.591 -5.887 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.040 -3.597 -3.596 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.467 -3.936 -2.588 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.567 -4.104 -4.357 1.00 0.00 H new ATOM 464 N ARG A 90 3.561 -9.577 -0.688 1.00 0.00 N ATOM 465 CA ARG A 90 3.648 -9.910 0.729 1.00 0.00 C ATOM 466 C ARG A 90 5.097 -9.878 1.207 1.00 0.00 C ATOM 467 O ARG A 90 5.391 -9.390 2.299 1.00 0.00 O ATOM 468 CB ARG A 90 3.046 -11.293 0.987 1.00 0.00 C ATOM 469 CG ARG A 90 1.561 -11.259 1.310 1.00 0.00 C ATOM 470 CD ARG A 90 1.025 -12.651 1.609 1.00 0.00 C ATOM 471 NE ARG A 90 1.635 -13.227 2.804 1.00 0.00 N ATOM 472 CZ ARG A 90 2.791 -13.881 2.796 1.00 0.00 C ATOM 473 NH1 ARG A 90 3.459 -14.040 1.662 1.00 0.00 N ATOM 474 NH2 ARG A 90 3.282 -14.378 3.925 1.00 0.00 N ATOM 0 H ARG A 90 3.183 -10.321 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 90 3.082 -9.164 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.204 -11.919 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.579 -11.764 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.389 -10.609 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.014 -10.830 0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.056 -12.603 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.213 -13.303 0.756 1.00 0.00 H new ATOM 0 HE ARG A 90 1.147 -13.121 3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.085 -13.660 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.347 -14.543 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.771 -14.258 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.170 -14.880 3.918 1.00 0.00 H new ATOM 488 N LYS A 91 5.999 -10.401 0.383 1.00 0.00 N ATOM 489 CA LYS A 91 7.417 -10.432 0.720 1.00 0.00 C ATOM 490 C LYS A 91 8.023 -9.034 0.651 1.00 0.00 C ATOM 491 O LYS A 91 8.996 -8.733 1.344 1.00 0.00 O ATOM 492 CB LYS A 91 8.167 -11.372 -0.226 1.00 0.00 C ATOM 493 CG LYS A 91 9.487 -11.872 0.333 1.00 0.00 C ATOM 494 CD LYS A 91 9.285 -13.051 1.271 1.00 0.00 C ATOM 495 CE LYS A 91 10.611 -13.682 1.667 1.00 0.00 C ATOM 496 NZ LYS A 91 10.418 -14.901 2.500 1.00 0.00 N ATOM 0 H LYS A 91 5.773 -10.809 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 91 7.514 -10.801 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.531 -12.228 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.353 -10.854 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.142 -12.166 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.987 -11.063 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.757 -12.720 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.655 -13.798 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.173 -13.941 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.208 -12.956 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.345 -15.301 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.904 -14.650 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.870 -15.604 1.965 1.00 0.00 H new ATOM 510 N LEU A 92 7.442 -8.183 -0.188 1.00 0.00 N ATOM 511 CA LEU A 92 7.924 -6.815 -0.347 1.00 0.00 C ATOM 512 C LEU A 92 7.660 -5.995 0.912 1.00 0.00 C ATOM 513 O LEU A 92 8.534 -5.270 1.387 1.00 0.00 O ATOM 514 CB LEU A 92 7.252 -6.153 -1.551 1.00 0.00 C ATOM 515 CG LEU A 92 7.830 -6.508 -2.921 1.00 0.00 C ATOM 516 CD1 LEU A 92 7.053 -5.808 -4.026 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.305 -6.141 -2.989 1.00 0.00 C ATOM 0 H LEU A 92 6.636 -8.416 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 92 9.000 -6.852 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.195 -6.420 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.308 -5.072 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 92 7.737 -7.584 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.479 -6.073 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.009 -6.120 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.114 -4.729 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.700 -6.401 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.422 -5.070 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.852 -6.689 -2.222 1.00 0.00 H new ATOM 529 N PHE A 93 6.451 -6.117 1.449 1.00 0.00 N ATOM 530 CA PHE A 93 6.072 -5.388 2.653 1.00 0.00 C ATOM 531 C PHE A 93 6.191 -6.278 3.887 1.00 0.00 C ATOM 532 O PHE A 93 5.582 -6.007 4.921 1.00 0.00 O ATOM 533 CB PHE A 93 4.641 -4.861 2.527 1.00 0.00 C ATOM 534 CG PHE A 93 4.486 -3.794 1.482 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.740 -4.070 0.148 1.00 0.00 C ATOM 536 CD2 PHE A 93 4.084 -2.515 1.833 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.598 -3.090 -0.816 1.00 0.00 C ATOM 538 CE2 PHE A 93 3.941 -1.531 0.873 1.00 0.00 C ATOM 539 CZ PHE A 93 4.197 -1.819 -0.453 1.00 0.00 C ATOM 0 H PHE A 93 5.717 -6.714 1.069 1.00 0.00 H new ATOM 0 HA PHE A 93 6.753 -4.545 2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.976 -5.691 2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.322 -4.464 3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.053 -5.062 -0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.880 -2.285 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.800 -3.318 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.629 -0.538 1.160 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.084 -1.052 -1.205 1.00 0.00 H new ATOM 549 N GLU A 94 6.980 -7.341 3.769 1.00 0.00 N ATOM 550 CA GLU A 94 7.178 -8.272 4.874 1.00 0.00 C ATOM 551 C GLU A 94 7.814 -7.568 6.070 1.00 0.00 C ATOM 552 O GLU A 94 7.400 -7.765 7.213 1.00 0.00 O ATOM 553 CB GLU A 94 8.057 -9.444 4.432 1.00 0.00 C ATOM 554 CG GLU A 94 9.546 -9.169 4.553 1.00 0.00 C ATOM 555 CD GLU A 94 10.395 -10.297 4.000 1.00 0.00 C ATOM 556 OE1 GLU A 94 10.354 -11.405 4.575 1.00 0.00 O ATOM 557 OE2 GLU A 94 11.099 -10.072 2.994 1.00 0.00 O ATOM 0 H GLU A 94 7.492 -7.579 2.920 1.00 0.00 H new ATOM 0 HA GLU A 94 6.202 -8.653 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.808 -10.320 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.825 -9.690 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.785 -8.246 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.798 -9.010 5.601 1.00 0.00 H new ATOM 564 N LYS A 95 8.823 -6.748 5.799 1.00 0.00 N ATOM 565 CA LYS A 95 9.517 -6.014 6.850 1.00 0.00 C ATOM 566 C LYS A 95 8.529 -5.238 7.715 1.00 0.00 C ATOM 567 O LYS A 95 8.805 -4.944 8.879 1.00 0.00 O ATOM 568 CB LYS A 95 10.540 -5.053 6.239 1.00 0.00 C ATOM 569 CG LYS A 95 11.710 -4.746 7.158 1.00 0.00 C ATOM 570 CD LYS A 95 12.270 -3.357 6.902 1.00 0.00 C ATOM 571 CE LYS A 95 11.477 -2.291 7.642 1.00 0.00 C ATOM 572 NZ LYS A 95 11.836 -2.235 9.086 1.00 0.00 N ATOM 0 H LYS A 95 9.179 -6.575 4.859 1.00 0.00 H new ATOM 0 HA LYS A 95 10.036 -6.736 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 95 10.920 -5.482 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.039 -4.121 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.388 -4.824 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.494 -5.488 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.313 -3.320 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.253 -3.148 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.660 -1.319 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.411 -2.495 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.021 -1.890 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.097 -3.186 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.640 -1.589 9.219 1.00 0.00 H new ATOM 586 N TYR A 96 7.377 -4.911 7.141 1.00 0.00 N ATOM 587 CA TYR A 96 6.348 -4.169 7.860 1.00 0.00 C ATOM 588 C TYR A 96 5.172 -5.074 8.215 1.00 0.00 C ATOM 589 O TYR A 96 4.026 -4.628 8.271 1.00 0.00 O ATOM 590 CB TYR A 96 5.861 -2.987 7.021 1.00 0.00 C ATOM 591 CG TYR A 96 6.923 -2.414 6.109 1.00 0.00 C ATOM 592 CD1 TYR A 96 7.970 -1.657 6.618 1.00 0.00 C ATOM 593 CD2 TYR A 96 6.878 -2.631 4.737 1.00 0.00 C ATOM 594 CE1 TYR A 96 8.941 -1.131 5.789 1.00 0.00 C ATOM 595 CE2 TYR A 96 7.846 -2.111 3.900 1.00 0.00 C ATOM 596 CZ TYR A 96 8.875 -1.361 4.430 1.00 0.00 C ATOM 597 OH TYR A 96 9.842 -0.840 3.601 1.00 0.00 O ATOM 0 H TYR A 96 7.132 -5.148 6.180 1.00 0.00 H new ATOM 0 HA TYR A 96 6.786 -3.793 8.784 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.010 -3.306 6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.504 -2.202 7.687 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.026 -1.476 7.681 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.073 -3.216 4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.747 -0.543 6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.797 -2.291 2.836 1.00 0.00 H new ATOM 0 HH TYR A 96 9.650 -1.095 2.674 1.00 0.00 H new ATOM 607 N GLY A 97 5.465 -6.348 8.456 1.00 0.00 N ATOM 608 CA GLY A 97 4.423 -7.296 8.803 1.00 0.00 C ATOM 609 C GLY A 97 3.547 -7.654 7.619 1.00 0.00 C ATOM 610 O GLY A 97 3.712 -7.110 6.527 1.00 0.00 O ATOM 0 H GLY A 97 6.406 -6.740 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.879 -8.203 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.804 -6.876 9.596 1.00 0.00 H new ATOM 614 N LYS A 98 2.612 -8.574 7.834 1.00 0.00 N ATOM 615 CA LYS A 98 1.706 -9.006 6.776 1.00 0.00 C ATOM 616 C LYS A 98 0.590 -7.987 6.567 1.00 0.00 C ATOM 617 O LYS A 98 -0.167 -7.684 7.488 1.00 0.00 O ATOM 618 CB LYS A 98 1.106 -10.372 7.116 1.00 0.00 C ATOM 619 CG LYS A 98 0.209 -10.355 8.342 1.00 0.00 C ATOM 620 CD LYS A 98 -0.026 -11.757 8.880 1.00 0.00 C ATOM 621 CE LYS A 98 -1.232 -12.411 8.222 1.00 0.00 C ATOM 622 NZ LYS A 98 -2.498 -12.083 8.935 1.00 0.00 N ATOM 0 H LYS A 98 2.462 -9.035 8.732 1.00 0.00 H new ATOM 0 HA LYS A 98 2.279 -9.087 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.532 -10.730 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.915 -11.084 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.663 -9.738 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.747 -9.897 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.860 -12.368 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.177 -11.713 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.303 -12.082 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.095 -13.492 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.296 -12.547 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.440 -12.419 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.643 -11.053 8.930 1.00 0.00 H new ATOM 636 N ALA A 99 0.493 -7.465 5.349 1.00 0.00 N ATOM 637 CA ALA A 99 -0.533 -6.483 5.018 1.00 0.00 C ATOM 638 C ALA A 99 -1.929 -7.078 5.167 1.00 0.00 C ATOM 639 O ALA A 99 -2.170 -8.224 4.791 1.00 0.00 O ATOM 640 CB ALA A 99 -0.327 -5.962 3.603 1.00 0.00 C ATOM 0 H ALA A 99 1.112 -7.705 4.575 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.445 -5.651 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.100 -5.230 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.653 -5.492 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.387 -6.791 2.898 1.00 0.00 H new ATOM 646 N GLY A 100 -2.847 -6.289 5.718 1.00 0.00 N ATOM 647 CA GLY A 100 -4.208 -6.756 5.908 1.00 0.00 C ATOM 648 C GLY A 100 -4.956 -6.910 4.598 1.00 0.00 C ATOM 649 O GLY A 100 -5.827 -7.770 4.471 1.00 0.00 O ATOM 0 H GLY A 100 -2.672 -5.336 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.191 -7.714 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.743 -6.055 6.548 1.00 0.00 H new ATOM 653 N GLU A 101 -4.617 -6.073 3.623 1.00 0.00 N ATOM 654 CA GLU A 101 -5.265 -6.119 2.317 1.00 0.00 C ATOM 655 C GLU A 101 -4.230 -6.133 1.196 1.00 0.00 C ATOM 656 O GLU A 101 -3.311 -5.315 1.174 1.00 0.00 O ATOM 657 CB GLU A 101 -6.203 -4.922 2.146 1.00 0.00 C ATOM 658 CG GLU A 101 -7.169 -5.068 0.982 1.00 0.00 C ATOM 659 CD GLU A 101 -8.476 -4.334 1.213 1.00 0.00 C ATOM 660 OE1 GLU A 101 -9.019 -4.428 2.334 1.00 0.00 O ATOM 661 OE2 GLU A 101 -8.955 -3.666 0.273 1.00 0.00 O ATOM 0 H GLU A 101 -3.898 -5.355 3.712 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.848 -7.039 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -6.773 -4.783 3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -5.606 -4.021 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.699 -4.688 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.375 -6.125 0.816 1.00 0.00 H new ATOM 668 N VAL A 102 -4.387 -7.070 0.266 1.00 0.00 N ATOM 669 CA VAL A 102 -3.467 -7.191 -0.859 1.00 0.00 C ATOM 670 C VAL A 102 -4.221 -7.447 -2.160 1.00 0.00 C ATOM 671 O VAL A 102 -4.809 -8.512 -2.350 1.00 0.00 O ATOM 672 CB VAL A 102 -2.452 -8.328 -0.634 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.571 -8.508 -1.861 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.609 -8.051 0.601 1.00 0.00 C ATOM 0 H VAL A 102 -5.142 -7.756 0.269 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.931 -6.245 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.001 -9.255 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.860 -9.315 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.192 -8.754 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.028 -7.584 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.897 -8.864 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.068 -7.114 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.257 -7.976 1.474 1.00 0.00 H new ATOM 684 N PHE A 103 -4.198 -6.464 -3.054 1.00 0.00 N ATOM 685 CA PHE A 103 -4.879 -6.582 -4.337 1.00 0.00 C ATOM 686 C PHE A 103 -4.006 -6.047 -5.468 1.00 0.00 C ATOM 687 O PHE A 103 -3.633 -4.874 -5.477 1.00 0.00 O ATOM 688 CB PHE A 103 -6.209 -5.826 -4.304 1.00 0.00 C ATOM 689 CG PHE A 103 -7.307 -6.575 -3.603 1.00 0.00 C ATOM 690 CD1 PHE A 103 -8.133 -7.437 -4.305 1.00 0.00 C ATOM 691 CD2 PHE A 103 -7.512 -6.416 -2.242 1.00 0.00 C ATOM 692 CE1 PHE A 103 -9.144 -8.128 -3.663 1.00 0.00 C ATOM 693 CE2 PHE A 103 -8.521 -7.104 -1.595 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.338 -7.960 -2.307 1.00 0.00 C ATOM 0 H PHE A 103 -3.715 -5.577 -2.913 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.073 -7.639 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.060 -4.867 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.521 -5.611 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.986 -7.571 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.876 -5.747 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.781 -8.798 -4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.670 -6.972 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.128 -8.497 -1.803 1.00 0.00 H new ATOM 704 N ILE A 104 -3.683 -6.916 -6.420 1.00 0.00 N ATOM 705 CA ILE A 104 -2.854 -6.532 -7.556 1.00 0.00 C ATOM 706 C ILE A 104 -3.640 -6.605 -8.860 1.00 0.00 C ATOM 707 O ILE A 104 -4.209 -7.643 -9.198 1.00 0.00 O ATOM 708 CB ILE A 104 -1.606 -7.428 -7.671 1.00 0.00 C ATOM 709 CG1 ILE A 104 -0.716 -7.261 -6.438 1.00 0.00 C ATOM 710 CG2 ILE A 104 -0.832 -7.098 -8.938 1.00 0.00 C ATOM 711 CD1 ILE A 104 0.283 -8.382 -6.257 1.00 0.00 C ATOM 0 H ILE A 104 -3.983 -7.891 -6.427 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.538 -5.503 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.928 -8.468 -7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.179 -6.315 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.346 -7.200 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.047 -7.739 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.469 -7.263 -9.807 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.518 -6.054 -8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.879 -8.197 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.247 -9.328 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.938 -8.430 -7.127 1.00 0.00 H new ATOM 723 N HIS A 105 -3.667 -5.494 -9.591 1.00 0.00 N ATOM 724 CA HIS A 105 -4.382 -5.432 -10.861 1.00 0.00 C ATOM 725 C HIS A 105 -3.406 -5.357 -12.031 1.00 0.00 C ATOM 726 O HIS A 105 -2.678 -4.375 -12.184 1.00 0.00 O ATOM 727 CB HIS A 105 -5.319 -4.225 -10.884 1.00 0.00 C ATOM 728 CG HIS A 105 -6.524 -4.418 -11.752 1.00 0.00 C ATOM 729 ND1 HIS A 105 -6.999 -3.447 -12.608 1.00 0.00 N ATOM 730 CD2 HIS A 105 -7.352 -5.480 -11.894 1.00 0.00 C ATOM 731 CE1 HIS A 105 -8.068 -3.903 -13.237 1.00 0.00 C ATOM 732 NE2 HIS A 105 -8.302 -5.134 -12.822 1.00 0.00 N ATOM 0 H HIS A 105 -3.202 -4.626 -9.326 1.00 0.00 H new ATOM 0 HA HIS A 105 -4.973 -6.342 -10.962 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.645 -4.009 -9.867 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.766 -3.353 -11.233 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.278 -6.424 -11.374 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -8.651 -3.361 -13.967 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.065 -5.731 -13.140 1.00 0.00 H new ATOM 740 N LYS A 106 -3.395 -6.399 -12.854 1.00 0.00 N ATOM 741 CA LYS A 106 -2.509 -6.452 -14.011 1.00 0.00 C ATOM 742 C LYS A 106 -3.162 -5.803 -15.227 1.00 0.00 C ATOM 743 O LYS A 106 -2.479 -5.383 -16.161 1.00 0.00 O ATOM 744 CB LYS A 106 -2.140 -7.902 -14.331 1.00 0.00 C ATOM 745 CG LYS A 106 -3.340 -8.784 -14.627 1.00 0.00 C ATOM 746 CD LYS A 106 -2.920 -10.113 -15.232 1.00 0.00 C ATOM 747 CE LYS A 106 -2.758 -10.012 -16.741 1.00 0.00 C ATOM 748 NZ LYS A 106 -4.064 -10.127 -17.448 1.00 0.00 N ATOM 0 H LYS A 106 -3.990 -7.220 -12.741 1.00 0.00 H new ATOM 0 HA LYS A 106 -1.602 -5.898 -13.768 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -1.469 -7.916 -15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -1.590 -8.322 -13.489 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.897 -8.962 -13.707 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.012 -8.267 -15.312 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.980 -10.437 -14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.664 -10.873 -14.995 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -2.291 -9.060 -16.993 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.087 -10.798 -17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.911 -10.053 -18.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.498 -11.046 -17.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -4.696 -9.362 -17.136 1.00 0.00 H new ATOM 762 N ASP A 107 -4.488 -5.722 -15.207 1.00 0.00 N ATOM 763 CA ASP A 107 -5.233 -5.121 -16.307 1.00 0.00 C ATOM 764 C ASP A 107 -4.835 -3.661 -16.500 1.00 0.00 C ATOM 765 O ASP A 107 -4.420 -3.257 -17.587 1.00 0.00 O ATOM 766 CB ASP A 107 -6.737 -5.222 -16.047 1.00 0.00 C ATOM 767 CG ASP A 107 -7.302 -6.574 -16.436 1.00 0.00 C ATOM 768 OD1 ASP A 107 -7.119 -6.981 -17.603 1.00 0.00 O ATOM 769 OD2 ASP A 107 -7.928 -7.225 -15.574 1.00 0.00 O ATOM 0 H ASP A 107 -5.069 -6.065 -14.442 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.991 -5.668 -17.218 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.933 -5.040 -14.990 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.253 -4.441 -16.606 1.00 0.00 H new ATOM 774 N LYS A 108 -4.965 -2.872 -15.438 1.00 0.00 N ATOM 775 CA LYS A 108 -4.618 -1.457 -15.489 1.00 0.00 C ATOM 776 C LYS A 108 -3.174 -1.234 -15.054 1.00 0.00 C ATOM 777 O LYS A 108 -2.527 -0.278 -15.479 1.00 0.00 O ATOM 778 CB LYS A 108 -5.562 -0.647 -14.597 1.00 0.00 C ATOM 779 CG LYS A 108 -7.008 -0.671 -15.061 1.00 0.00 C ATOM 780 CD LYS A 108 -7.215 0.209 -16.283 1.00 0.00 C ATOM 781 CE LYS A 108 -8.470 -0.184 -17.047 1.00 0.00 C ATOM 782 NZ LYS A 108 -9.708 0.238 -16.334 1.00 0.00 N ATOM 0 H LYS A 108 -5.308 -3.189 -14.531 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.724 -1.120 -16.520 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.509 -1.035 -13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.218 0.387 -14.562 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.299 -1.695 -15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -7.656 -0.332 -14.253 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.288 1.252 -15.974 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.349 0.131 -16.940 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.449 0.270 -18.038 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.484 -1.264 -17.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.541 -0.048 -16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.741 -0.215 -15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.707 1.272 -16.219 1.00 0.00 H new ATOM 796 N GLY A 109 -2.672 -2.125 -14.203 1.00 0.00 N ATOM 797 CA GLY A 109 -1.307 -2.008 -13.726 1.00 0.00 C ATOM 798 C GLY A 109 -1.212 -1.239 -12.423 1.00 0.00 C ATOM 799 O GLY A 109 -0.360 -0.363 -12.272 1.00 0.00 O ATOM 0 H GLY A 109 -3.187 -2.925 -13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.887 -3.004 -13.588 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.702 -1.509 -14.483 1.00 0.00 H new ATOM 803 N PHE A 110 -2.090 -1.564 -11.481 1.00 0.00 N ATOM 804 CA PHE A 110 -2.104 -0.895 -10.185 1.00 0.00 C ATOM 805 C PHE A 110 -2.357 -1.894 -9.059 1.00 0.00 C ATOM 806 O PHE A 110 -3.031 -2.904 -9.251 1.00 0.00 O ATOM 807 CB PHE A 110 -3.175 0.198 -10.162 1.00 0.00 C ATOM 808 CG PHE A 110 -2.870 1.356 -11.069 1.00 0.00 C ATOM 809 CD1 PHE A 110 -1.885 2.272 -10.736 1.00 0.00 C ATOM 810 CD2 PHE A 110 -3.567 1.528 -12.254 1.00 0.00 C ATOM 811 CE1 PHE A 110 -1.603 3.339 -11.568 1.00 0.00 C ATOM 812 CE2 PHE A 110 -3.288 2.593 -13.090 1.00 0.00 C ATOM 813 CZ PHE A 110 -2.304 3.499 -12.747 1.00 0.00 C ATOM 0 H PHE A 110 -2.802 -2.287 -11.590 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.126 -0.439 -10.030 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.132 -0.236 -10.450 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.286 0.565 -9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.332 2.151 -9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.337 0.822 -12.528 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.835 4.048 -11.296 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.839 2.716 -14.011 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.083 4.331 -13.399 1.00 0.00 H new ATOM 823 N GLY A 111 -1.808 -1.602 -7.883 1.00 0.00 N ATOM 824 CA GLY A 111 -1.985 -2.484 -6.744 1.00 0.00 C ATOM 825 C GLY A 111 -2.260 -1.725 -5.461 1.00 0.00 C ATOM 826 O GLY A 111 -1.741 -0.628 -5.257 1.00 0.00 O ATOM 0 H GLY A 111 -1.245 -0.772 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.811 -3.167 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.090 -3.093 -6.618 1.00 0.00 H new ATOM 830 N PHE A 112 -3.080 -2.310 -4.594 1.00 0.00 N ATOM 831 CA PHE A 112 -3.427 -1.681 -3.325 1.00 0.00 C ATOM 832 C PHE A 112 -3.043 -2.578 -2.152 1.00 0.00 C ATOM 833 O PHE A 112 -3.386 -3.760 -2.122 1.00 0.00 O ATOM 834 CB PHE A 112 -4.924 -1.371 -3.277 1.00 0.00 C ATOM 835 CG PHE A 112 -5.374 -0.418 -4.348 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.381 -0.803 -5.678 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.789 0.863 -4.023 1.00 0.00 C ATOM 838 CE1 PHE A 112 -5.794 0.071 -6.666 1.00 0.00 C ATOM 839 CE2 PHE A 112 -6.204 1.742 -5.006 1.00 0.00 C ATOM 840 CZ PHE A 112 -6.205 1.346 -6.329 1.00 0.00 C ATOM 0 H PHE A 112 -3.517 -3.219 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.868 -0.748 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.483 -2.302 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.169 -0.951 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.060 -1.798 -5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.788 1.179 -2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.795 -0.242 -7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.527 2.737 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.527 2.032 -7.099 1.00 0.00 H new ATOM 850 N ILE A 113 -2.330 -2.006 -1.187 1.00 0.00 N ATOM 851 CA ILE A 113 -1.900 -2.753 -0.011 1.00 0.00 C ATOM 852 C ILE A 113 -2.307 -2.038 1.273 1.00 0.00 C ATOM 853 O ILE A 113 -2.081 -0.837 1.425 1.00 0.00 O ATOM 854 CB ILE A 113 -0.375 -2.966 -0.006 1.00 0.00 C ATOM 855 CG1 ILE A 113 0.032 -3.862 1.166 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.346 -1.629 0.067 1.00 0.00 C ATOM 857 CD1 ILE A 113 1.307 -4.638 0.918 1.00 0.00 C ATOM 0 H ILE A 113 -2.038 -1.029 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.394 -3.724 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.088 -3.461 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.158 -3.247 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.776 -4.563 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.423 -1.796 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.075 -1.022 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.057 -1.109 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.535 -5.251 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.179 -5.280 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.127 -3.943 0.739 1.00 0.00 H new ATOM 869 N ARG A 114 -2.906 -2.784 2.195 1.00 0.00 N ATOM 870 CA ARG A 114 -3.343 -2.221 3.467 1.00 0.00 C ATOM 871 C ARG A 114 -2.559 -2.827 4.628 1.00 0.00 C ATOM 872 O ARG A 114 -2.501 -4.047 4.782 1.00 0.00 O ATOM 873 CB ARG A 114 -4.840 -2.462 3.668 1.00 0.00 C ATOM 874 CG ARG A 114 -5.441 -1.652 4.805 1.00 0.00 C ATOM 875 CD ARG A 114 -6.613 -2.377 5.448 1.00 0.00 C ATOM 876 NE ARG A 114 -6.179 -3.295 6.498 1.00 0.00 N ATOM 877 CZ ARG A 114 -6.914 -4.311 6.935 1.00 0.00 C ATOM 878 NH1 ARG A 114 -8.112 -4.540 6.415 1.00 0.00 N ATOM 879 NH2 ARG A 114 -6.450 -5.102 7.895 1.00 0.00 N ATOM 0 H ARG A 114 -3.100 -3.779 2.085 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.154 -1.148 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.365 -2.220 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.006 -3.522 3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.677 -1.456 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.773 -0.685 4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.305 -1.647 5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.159 -2.931 4.685 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.261 -3.148 6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -8.472 -3.935 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -8.674 -5.321 6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.529 -4.929 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -7.015 -5.882 8.230 1.00 0.00 H new ATOM 893 N LEU A 115 -1.957 -1.966 5.441 1.00 0.00 N ATOM 894 CA LEU A 115 -1.176 -2.416 6.588 1.00 0.00 C ATOM 895 C LEU A 115 -2.005 -2.358 7.868 1.00 0.00 C ATOM 896 O LEU A 115 -3.194 -2.044 7.834 1.00 0.00 O ATOM 897 CB LEU A 115 0.081 -1.557 6.742 1.00 0.00 C ATOM 898 CG LEU A 115 0.830 -1.226 5.451 1.00 0.00 C ATOM 899 CD1 LEU A 115 2.176 -0.592 5.762 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.010 -2.477 4.603 1.00 0.00 C ATOM 0 H LEU A 115 -1.995 -0.953 5.327 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.883 -3.451 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.200 -0.621 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.767 -2.070 7.415 1.00 0.00 H new ATOM 0 HG LEU A 115 0.237 -0.509 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.694 -0.363 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.023 0.327 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.777 -1.285 6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.545 -2.222 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.581 -3.217 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.033 -2.888 4.349 1.00 0.00 H new ATOM 912 N GLU A 116 -1.367 -2.663 8.994 1.00 0.00 N ATOM 913 CA GLU A 116 -2.046 -2.644 10.284 1.00 0.00 C ATOM 914 C GLU A 116 -2.055 -1.237 10.874 1.00 0.00 C ATOM 915 O GLU A 116 -3.101 -0.593 10.960 1.00 0.00 O ATOM 916 CB GLU A 116 -1.368 -3.612 11.256 1.00 0.00 C ATOM 917 CG GLU A 116 -2.245 -4.009 12.431 1.00 0.00 C ATOM 918 CD GLU A 116 -3.653 -4.380 12.009 1.00 0.00 C ATOM 919 OE1 GLU A 116 -3.883 -5.563 11.681 1.00 0.00 O ATOM 920 OE2 GLU A 116 -4.527 -3.487 12.006 1.00 0.00 O ATOM 0 H GLU A 116 -0.382 -2.926 9.039 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.077 -2.960 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.073 -4.510 10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.454 -3.153 11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.791 -4.853 12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.288 -3.184 13.142 1.00 0.00 H new ATOM 927 N THR A 117 -0.881 -0.764 11.280 1.00 0.00 N ATOM 928 CA THR A 117 -0.752 0.565 11.863 1.00 0.00 C ATOM 929 C THR A 117 -0.395 1.600 10.802 1.00 0.00 C ATOM 930 O THR A 117 -0.165 1.258 9.642 1.00 0.00 O ATOM 931 CB THR A 117 0.319 0.592 12.970 1.00 0.00 C ATOM 932 OG1 THR A 117 1.622 0.445 12.395 1.00 0.00 O ATOM 933 CG2 THR A 117 0.078 -0.517 13.983 1.00 0.00 C ATOM 0 H THR A 117 -0.005 -1.283 11.215 1.00 0.00 H new ATOM 0 HA THR A 117 -1.720 0.813 12.298 1.00 0.00 H new ATOM 0 HB THR A 117 0.255 1.551 13.483 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.297 0.465 13.105 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.847 -0.478 14.755 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.903 -0.385 14.440 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.117 -1.484 13.481 1.00 0.00 H new ATOM 941 N ARG A 118 -0.350 2.865 11.206 1.00 0.00 N ATOM 942 CA ARG A 118 -0.022 3.949 10.289 1.00 0.00 C ATOM 943 C ARG A 118 1.489 4.141 10.194 1.00 0.00 C ATOM 944 O ARG A 118 2.027 4.397 9.116 1.00 0.00 O ATOM 945 CB ARG A 118 -0.685 5.250 10.744 1.00 0.00 C ATOM 946 CG ARG A 118 -0.065 5.842 12.000 1.00 0.00 C ATOM 947 CD ARG A 118 -1.061 6.705 12.759 1.00 0.00 C ATOM 948 NE ARG A 118 -1.060 8.087 12.286 1.00 0.00 N ATOM 949 CZ ARG A 118 -0.115 8.968 12.591 1.00 0.00 C ATOM 950 NH1 ARG A 118 0.902 8.613 13.365 1.00 0.00 N ATOM 951 NH2 ARG A 118 -0.184 10.207 12.121 1.00 0.00 N ATOM 0 H ARG A 118 -0.537 3.164 12.163 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.401 3.683 9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.622 5.981 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.744 5.065 10.924 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.288 5.038 12.646 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.805 6.440 11.730 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.061 6.285 12.650 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -0.821 6.686 13.822 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.828 8.392 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 118 0.959 7.661 13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 118 1.627 9.292 13.598 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.964 10.484 11.525 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.543 10.883 12.356 1.00 0.00 H new ATOM 965 N THR A 119 2.169 4.018 11.329 1.00 0.00 N ATOM 966 CA THR A 119 3.617 4.180 11.375 1.00 0.00 C ATOM 967 C THR A 119 4.296 3.368 10.278 1.00 0.00 C ATOM 968 O THR A 119 5.151 3.878 9.553 1.00 0.00 O ATOM 969 CB THR A 119 4.187 3.753 12.741 1.00 0.00 C ATOM 970 OG1 THR A 119 3.432 4.358 13.797 1.00 0.00 O ATOM 971 CG2 THR A 119 5.650 4.151 12.865 1.00 0.00 C ATOM 0 H THR A 119 1.740 3.806 12.230 1.00 0.00 H new ATOM 0 HA THR A 119 3.822 5.239 11.219 1.00 0.00 H new ATOM 0 HB THR A 119 4.114 2.668 12.818 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.799 4.080 14.662 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.031 3.839 13.838 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.227 3.667 12.077 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.742 5.233 12.769 1.00 0.00 H new ATOM 979 N LEU A 120 3.910 2.102 10.161 1.00 0.00 N ATOM 980 CA LEU A 120 4.481 1.219 9.150 1.00 0.00 C ATOM 981 C LEU A 120 4.197 1.742 7.746 1.00 0.00 C ATOM 982 O LEU A 120 5.053 1.679 6.864 1.00 0.00 O ATOM 983 CB LEU A 120 3.919 -0.196 9.304 1.00 0.00 C ATOM 984 CG LEU A 120 4.312 -0.939 10.581 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.546 -2.248 10.694 1.00 0.00 C ATOM 986 CD2 LEU A 120 5.813 -1.193 10.609 1.00 0.00 C ATOM 0 H LEU A 120 3.204 1.664 10.753 1.00 0.00 H new ATOM 0 HA LEU A 120 5.561 1.192 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.831 -0.140 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.242 -0.789 8.448 1.00 0.00 H new ATOM 0 HG LEU A 120 4.053 -0.315 11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.839 -2.763 11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.476 -2.042 10.720 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.774 -2.878 9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.075 -1.723 11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.096 -1.797 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.344 -0.242 10.576 1.00 0.00 H new ATOM 998 N ALA A 121 2.989 2.259 7.547 1.00 0.00 N ATOM 999 CA ALA A 121 2.593 2.797 6.251 1.00 0.00 C ATOM 1000 C ALA A 121 3.503 3.948 5.833 1.00 0.00 C ATOM 1001 O ALA A 121 3.883 4.057 4.668 1.00 0.00 O ATOM 1002 CB ALA A 121 1.143 3.256 6.291 1.00 0.00 C ATOM 0 H ALA A 121 2.268 2.317 8.266 1.00 0.00 H new ATOM 0 HA ALA A 121 2.691 2.003 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.861 3.655 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.500 2.411 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.028 4.031 7.048 1.00 0.00 H new ATOM 1008 N GLU A 122 3.846 4.802 6.791 1.00 0.00 N ATOM 1009 CA GLU A 122 4.710 5.946 6.520 1.00 0.00 C ATOM 1010 C GLU A 122 6.145 5.494 6.260 1.00 0.00 C ATOM 1011 O GLU A 122 6.745 5.853 5.247 1.00 0.00 O ATOM 1012 CB GLU A 122 4.678 6.927 7.694 1.00 0.00 C ATOM 1013 CG GLU A 122 3.537 7.927 7.620 1.00 0.00 C ATOM 1014 CD GLU A 122 3.886 9.151 6.795 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.822 9.881 7.183 1.00 0.00 O ATOM 1016 OE2 GLU A 122 3.223 9.378 5.761 1.00 0.00 O ATOM 0 H GLU A 122 3.540 4.724 7.761 1.00 0.00 H new ATOM 0 HA GLU A 122 4.337 6.447 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 122 4.597 6.365 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.623 7.469 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.661 7.442 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 122 3.266 8.239 8.629 1.00 0.00 H new ATOM 1023 N ILE A 123 6.687 4.705 7.181 1.00 0.00 N ATOM 1024 CA ILE A 123 8.049 4.203 7.051 1.00 0.00 C ATOM 1025 C ILE A 123 8.242 3.472 5.727 1.00 0.00 C ATOM 1026 O ILE A 123 9.215 3.709 5.012 1.00 0.00 O ATOM 1027 CB ILE A 123 8.412 3.253 8.207 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.350 3.994 9.545 1.00 0.00 C ATOM 1029 CG2 ILE A 123 9.795 2.658 7.990 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.385 3.076 10.746 1.00 0.00 C ATOM 0 H ILE A 123 6.204 4.399 8.026 1.00 0.00 H new ATOM 0 HA ILE A 123 8.709 5.070 7.084 1.00 0.00 H new ATOM 0 HB ILE A 123 7.687 2.440 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.187 4.690 9.605 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.438 4.589 9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.037 1.989 8.816 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.808 2.099 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.533 3.459 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.338 3.669 11.659 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.533 2.397 10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.310 2.499 10.736 1.00 0.00 H new ATOM 1042 N ALA A 124 7.307 2.583 5.407 1.00 0.00 N ATOM 1043 CA ALA A 124 7.372 1.820 4.167 1.00 0.00 C ATOM 1044 C ALA A 124 7.002 2.687 2.968 1.00 0.00 C ATOM 1045 O ALA A 124 7.465 2.452 1.852 1.00 0.00 O ATOM 1046 CB ALA A 124 6.457 0.606 4.246 1.00 0.00 C ATOM 0 H ALA A 124 6.496 2.374 5.989 1.00 0.00 H new ATOM 0 HA ALA A 124 8.399 1.480 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.515 0.045 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.769 -0.032 5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.430 0.934 4.408 1.00 0.00 H new ATOM 1052 N LYS A 125 6.163 3.690 3.206 1.00 0.00 N ATOM 1053 CA LYS A 125 5.730 4.593 2.147 1.00 0.00 C ATOM 1054 C LYS A 125 6.917 5.349 1.557 1.00 0.00 C ATOM 1055 O LYS A 125 6.998 5.550 0.345 1.00 0.00 O ATOM 1056 CB LYS A 125 4.697 5.585 2.685 1.00 0.00 C ATOM 1057 CG LYS A 125 4.662 6.900 1.925 1.00 0.00 C ATOM 1058 CD LYS A 125 4.148 6.710 0.507 1.00 0.00 C ATOM 1059 CE LYS A 125 3.680 8.025 -0.097 1.00 0.00 C ATOM 1060 NZ LYS A 125 4.805 8.785 -0.710 1.00 0.00 N ATOM 0 H LYS A 125 5.769 3.898 4.124 1.00 0.00 H new ATOM 0 HA LYS A 125 5.274 3.995 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.709 5.126 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.912 5.787 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.024 7.609 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.663 7.331 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.937 6.284 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 125 3.324 5.996 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.920 7.827 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.210 8.633 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.617 9.805 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.690 8.557 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.894 8.524 -1.713 1.00 0.00 H new ATOM 1074 N VAL A 126 7.837 5.764 2.422 1.00 0.00 N ATOM 1075 CA VAL A 126 9.021 6.495 1.986 1.00 0.00 C ATOM 1076 C VAL A 126 10.101 5.543 1.486 1.00 0.00 C ATOM 1077 O VAL A 126 10.802 5.838 0.518 1.00 0.00 O ATOM 1078 CB VAL A 126 9.599 7.357 3.125 1.00 0.00 C ATOM 1079 CG1 VAL A 126 11.020 7.789 2.799 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.711 8.565 3.381 1.00 0.00 C ATOM 0 H VAL A 126 7.785 5.607 3.428 1.00 0.00 H new ATOM 0 HA VAL A 126 8.709 7.146 1.170 1.00 0.00 H new ATOM 0 HB VAL A 126 9.627 6.756 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.412 8.397 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.648 6.907 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.021 8.373 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.134 9.163 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 126 8.649 9.169 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.713 8.230 3.662 1.00 0.00 H new ATOM 1090 N GLU A 127 10.230 4.400 2.152 1.00 0.00 N ATOM 1091 CA GLU A 127 11.226 3.404 1.774 1.00 0.00 C ATOM 1092 C GLU A 127 10.942 2.853 0.380 1.00 0.00 C ATOM 1093 O GLU A 127 11.774 2.956 -0.523 1.00 0.00 O ATOM 1094 CB GLU A 127 11.250 2.262 2.791 1.00 0.00 C ATOM 1095 CG GLU A 127 12.000 2.600 4.069 1.00 0.00 C ATOM 1096 CD GLU A 127 12.573 1.372 4.751 1.00 0.00 C ATOM 1097 OE1 GLU A 127 12.894 0.396 4.041 1.00 0.00 O ATOM 1098 OE2 GLU A 127 12.699 1.388 5.993 1.00 0.00 O ATOM 0 H GLU A 127 9.658 4.141 2.956 1.00 0.00 H new ATOM 0 HA GLU A 127 12.202 3.890 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.225 1.989 3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.709 1.387 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.809 3.294 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.327 3.112 4.756 1.00 0.00 H new ATOM 1105 N LEU A 128 9.762 2.266 0.211 1.00 0.00 N ATOM 1106 CA LEU A 128 9.367 1.697 -1.072 1.00 0.00 C ATOM 1107 C LEU A 128 9.216 2.787 -2.128 1.00 0.00 C ATOM 1108 O LEU A 128 9.576 2.594 -3.290 1.00 0.00 O ATOM 1109 CB LEU A 128 8.054 0.925 -0.928 1.00 0.00 C ATOM 1110 CG LEU A 128 8.064 -0.238 0.065 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.665 -0.809 0.232 1.00 0.00 C ATOM 1112 CD2 LEU A 128 9.033 -1.319 -0.391 1.00 0.00 C ATOM 0 H LEU A 128 9.062 2.172 0.947 1.00 0.00 H new ATOM 0 HA LEU A 128 10.151 1.011 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.275 1.626 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.774 0.538 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 128 8.398 0.137 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.692 -1.635 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.997 -0.032 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.302 -1.169 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.028 -2.139 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.729 -1.691 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.038 -0.902 -0.458 1.00 0.00 H new ATOM 1124 N ASP A 129 8.684 3.932 -1.716 1.00 0.00 N ATOM 1125 CA ASP A 129 8.489 5.055 -2.626 1.00 0.00 C ATOM 1126 C ASP A 129 9.687 5.215 -3.557 1.00 0.00 C ATOM 1127 O ASP A 129 10.833 5.248 -3.110 1.00 0.00 O ATOM 1128 CB ASP A 129 8.265 6.346 -1.836 1.00 0.00 C ATOM 1129 CG ASP A 129 8.763 7.572 -2.577 1.00 0.00 C ATOM 1130 OD1 ASP A 129 8.631 7.609 -3.818 1.00 0.00 O ATOM 1131 OD2 ASP A 129 9.287 8.493 -1.915 1.00 0.00 O ATOM 0 H ASP A 129 8.380 4.107 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 129 7.606 4.851 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.202 6.460 -1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.775 6.274 -0.875 1.00 0.00 H new ATOM 1136 N ASN A 130 9.413 5.313 -4.854 1.00 0.00 N ATOM 1137 CA ASN A 130 10.468 5.468 -5.848 1.00 0.00 C ATOM 1138 C ASN A 130 11.474 4.324 -5.757 1.00 0.00 C ATOM 1139 O ASN A 130 12.680 4.551 -5.669 1.00 0.00 O ATOM 1140 CB ASN A 130 11.184 6.807 -5.659 1.00 0.00 C ATOM 1141 CG ASN A 130 11.943 7.237 -6.899 1.00 0.00 C ATOM 1142 OD1 ASN A 130 11.345 7.618 -7.906 1.00 0.00 O ATOM 1143 ND2 ASN A 130 13.268 7.178 -6.832 1.00 0.00 N ATOM 0 H ASN A 130 8.469 5.288 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 130 10.007 5.446 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.453 7.573 -5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.877 6.730 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.832 7.455 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 130 13.722 6.856 -5.977 1.00 0.00 H new ATOM 1150 N MET A 131 10.968 3.096 -5.779 1.00 0.00 N ATOM 1151 CA MET A 131 11.822 1.916 -5.700 1.00 0.00 C ATOM 1152 C MET A 131 11.695 1.068 -6.961 1.00 0.00 C ATOM 1153 O MET A 131 10.599 0.827 -7.469 1.00 0.00 O ATOM 1154 CB MET A 131 11.461 1.080 -4.471 1.00 0.00 C ATOM 1155 CG MET A 131 12.225 -0.231 -4.382 1.00 0.00 C ATOM 1156 SD MET A 131 11.657 -1.276 -3.027 1.00 0.00 S ATOM 1157 CE MET A 131 10.567 -2.398 -3.899 1.00 0.00 C ATOM 0 H MET A 131 9.971 2.891 -5.851 1.00 0.00 H new ATOM 0 HA MET A 131 12.855 2.251 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.656 1.666 -3.573 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.392 0.868 -4.487 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.120 -0.773 -5.322 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.287 -0.020 -4.253 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.755 -3.419 -3.567 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.530 -2.133 -3.691 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.752 -2.325 -4.971 1.00 0.00 H new ATOM 1167 N PRO A 132 12.841 0.604 -7.481 1.00 0.00 N ATOM 1168 CA PRO A 132 12.883 -0.225 -8.690 1.00 0.00 C ATOM 1169 C PRO A 132 12.309 -1.619 -8.458 1.00 0.00 C ATOM 1170 O PRO A 132 12.673 -2.299 -7.497 1.00 0.00 O ATOM 1171 CB PRO A 132 14.378 -0.309 -9.010 1.00 0.00 C ATOM 1172 CG PRO A 132 15.058 -0.097 -7.702 1.00 0.00 C ATOM 1173 CD PRO A 132 14.183 0.851 -6.929 1.00 0.00 C ATOM 0 HA PRO A 132 12.283 0.199 -9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 132 14.637 -1.277 -9.439 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.671 0.450 -9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.179 -1.039 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.055 0.320 -7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.220 0.650 -5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.491 1.887 -7.070 1.00 0.00 H new ATOM 1181 N LEU A 133 11.412 -2.039 -9.342 1.00 0.00 N ATOM 1182 CA LEU A 133 10.788 -3.353 -9.234 1.00 0.00 C ATOM 1183 C LEU A 133 10.741 -4.047 -10.591 1.00 0.00 C ATOM 1184 O LEU A 133 10.005 -3.632 -11.487 1.00 0.00 O ATOM 1185 CB LEU A 133 9.373 -3.222 -8.666 1.00 0.00 C ATOM 1186 CG LEU A 133 8.730 -4.514 -8.161 1.00 0.00 C ATOM 1187 CD1 LEU A 133 9.292 -4.893 -6.800 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.217 -4.367 -8.094 1.00 0.00 C ATOM 0 H LEU A 133 11.100 -1.489 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 133 11.390 -3.959 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.398 -2.507 -7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.731 -2.798 -9.438 1.00 0.00 H new ATOM 0 HG LEU A 133 8.966 -5.313 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.823 -5.815 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.369 -5.042 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.088 -4.094 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.777 -5.296 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.960 -3.555 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.829 -4.144 -9.088 1.00 0.00 H new ATOM 1200 N ARG A 134 11.529 -5.107 -10.735 1.00 0.00 N ATOM 1201 CA ARG A 134 11.577 -5.860 -11.983 1.00 0.00 C ATOM 1202 C ARG A 134 11.949 -4.952 -13.151 1.00 0.00 C ATOM 1203 O ARG A 134 11.608 -5.230 -14.300 1.00 0.00 O ATOM 1204 CB ARG A 134 10.228 -6.529 -12.252 1.00 0.00 C ATOM 1205 CG ARG A 134 9.962 -7.739 -11.373 1.00 0.00 C ATOM 1206 CD ARG A 134 10.652 -8.982 -11.913 1.00 0.00 C ATOM 1207 NE ARG A 134 10.872 -9.982 -10.871 1.00 0.00 N ATOM 1208 CZ ARG A 134 11.202 -11.244 -11.122 1.00 0.00 C ATOM 1209 NH1 ARG A 134 11.349 -11.658 -12.373 1.00 0.00 N ATOM 1210 NH2 ARG A 134 11.385 -12.095 -10.121 1.00 0.00 N ATOM 0 H ARG A 134 12.143 -5.464 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 134 12.343 -6.629 -11.885 1.00 0.00 H new ATOM 0 HB2 ARG A 134 9.433 -5.799 -12.100 1.00 0.00 H new ATOM 0 HB3 ARG A 134 10.185 -6.834 -13.298 1.00 0.00 H new ATOM 0 HG2 ARG A 134 10.312 -7.538 -10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 134 8.888 -7.916 -11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 134 10.047 -9.415 -12.709 1.00 0.00 H new ATOM 0 HD3 ARG A 134 11.608 -8.703 -12.355 1.00 0.00 H new ATOM 0 HE ARG A 134 10.766 -9.696 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 134 11.209 -11.007 -13.145 1.00 0.00 H new ATOM 0 HH12 ARG A 134 11.602 -12.628 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 134 11.272 -11.781 -9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 134 11.638 -13.064 -10.315 1.00 0.00 H new ATOM 1224 N GLY A 135 12.652 -3.864 -12.849 1.00 0.00 N ATOM 1225 CA GLY A 135 13.058 -2.932 -13.884 1.00 0.00 C ATOM 1226 C GLY A 135 12.035 -1.838 -14.113 1.00 0.00 C ATOM 1227 O GLY A 135 12.159 -1.046 -15.048 1.00 0.00 O ATOM 0 H GLY A 135 12.947 -3.612 -11.906 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.012 -2.481 -13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.219 -3.475 -14.815 1.00 0.00 H new ATOM 1231 N LYS A 136 11.018 -1.793 -13.259 1.00 0.00 N ATOM 1232 CA LYS A 136 9.967 -0.788 -13.371 1.00 0.00 C ATOM 1233 C LYS A 136 9.823 -0.004 -12.071 1.00 0.00 C ATOM 1234 O LYS A 136 9.635 -0.586 -11.003 1.00 0.00 O ATOM 1235 CB LYS A 136 8.636 -1.451 -13.730 1.00 0.00 C ATOM 1236 CG LYS A 136 8.749 -2.480 -14.841 1.00 0.00 C ATOM 1237 CD LYS A 136 8.537 -1.851 -16.208 1.00 0.00 C ATOM 1238 CE LYS A 136 7.936 -2.844 -17.192 1.00 0.00 C ATOM 1239 NZ LYS A 136 7.233 -2.158 -18.312 1.00 0.00 N ATOM 0 H LYS A 136 10.899 -2.442 -12.481 1.00 0.00 H new ATOM 0 HA LYS A 136 10.245 -0.094 -14.164 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.228 -1.932 -12.841 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.926 -0.681 -14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.732 -2.950 -14.804 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.013 -3.268 -14.684 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.879 -0.987 -16.114 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.489 -1.486 -16.593 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.725 -3.480 -17.594 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.236 -3.496 -16.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 6.837 -2.868 -18.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.464 -1.571 -17.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.906 -1.556 -18.827 1.00 0.00 H new ATOM 1253 N GLN A 137 9.911 1.319 -12.170 1.00 0.00 N ATOM 1254 CA GLN A 137 9.789 2.181 -11.001 1.00 0.00 C ATOM 1255 C GLN A 137 8.552 1.820 -10.184 1.00 0.00 C ATOM 1256 O GLN A 137 7.666 1.110 -10.661 1.00 0.00 O ATOM 1257 CB GLN A 137 9.721 3.648 -11.428 1.00 0.00 C ATOM 1258 CG GLN A 137 10.409 4.597 -10.459 1.00 0.00 C ATOM 1259 CD GLN A 137 9.789 5.980 -10.456 1.00 0.00 C ATOM 1260 OE1 GLN A 137 8.751 6.206 -9.834 1.00 0.00 O ATOM 1261 NE2 GLN A 137 10.423 6.915 -11.154 1.00 0.00 N ATOM 0 H GLN A 137 10.066 1.816 -13.047 1.00 0.00 H new ATOM 0 HA GLN A 137 10.670 2.031 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 137 10.178 3.753 -12.412 1.00 0.00 H new ATOM 0 HB3 GLN A 137 8.676 3.940 -11.529 1.00 0.00 H new ATOM 0 HG2 GLN A 137 10.362 4.180 -9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.464 4.677 -10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 137 11.281 6.684 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.052 7.865 -11.189 1.00 0.00 H new ATOM 1270 N LEU A 138 8.500 2.311 -8.951 1.00 0.00 N ATOM 1271 CA LEU A 138 7.372 2.039 -8.067 1.00 0.00 C ATOM 1272 C LEU A 138 6.764 3.338 -7.545 1.00 0.00 C ATOM 1273 O LEU A 138 7.454 4.158 -6.939 1.00 0.00 O ATOM 1274 CB LEU A 138 7.816 1.164 -6.894 1.00 0.00 C ATOM 1275 CG LEU A 138 8.019 -0.320 -7.203 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.816 -0.992 -6.096 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.678 -1.013 -7.395 1.00 0.00 C ATOM 0 H LEU A 138 9.225 2.899 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 138 6.613 1.508 -8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.751 1.564 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 138 7.074 1.251 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 138 8.585 -0.404 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.950 -2.047 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.791 -0.513 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.279 -0.898 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.842 -2.068 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 138 6.086 -0.919 -6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.144 -0.549 -8.224 1.00 0.00 H new ATOM 1289 N ARG A 139 5.469 3.516 -7.782 1.00 0.00 N ATOM 1290 CA ARG A 139 4.768 4.713 -7.335 1.00 0.00 C ATOM 1291 C ARG A 139 3.962 4.432 -6.070 1.00 0.00 C ATOM 1292 O ARG A 139 2.987 3.682 -6.096 1.00 0.00 O ATOM 1293 CB ARG A 139 3.841 5.229 -8.438 1.00 0.00 C ATOM 1294 CG ARG A 139 2.957 6.386 -7.999 1.00 0.00 C ATOM 1295 CD ARG A 139 3.641 7.725 -8.222 1.00 0.00 C ATOM 1296 NE ARG A 139 3.686 8.089 -9.636 1.00 0.00 N ATOM 1297 CZ ARG A 139 3.846 9.334 -10.070 1.00 0.00 C ATOM 1298 NH1 ARG A 139 3.976 10.330 -9.204 1.00 0.00 N ATOM 1299 NH2 ARG A 139 3.876 9.585 -11.372 1.00 0.00 N ATOM 0 H ARG A 139 4.884 2.846 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 139 5.513 5.476 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.444 5.546 -9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.209 4.410 -8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 139 2.019 6.359 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 139 2.708 6.275 -6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 139 3.113 8.499 -7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 139 4.656 7.684 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 139 3.589 7.346 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 139 3.953 10.141 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 139 4.099 11.285 -9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 139 3.776 8.822 -12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 139 3.999 10.541 -11.704 1.00 0.00 H new ATOM 1313 N VAL A 140 4.378 5.039 -4.963 1.00 0.00 N ATOM 1314 CA VAL A 140 3.696 4.854 -3.688 1.00 0.00 C ATOM 1315 C VAL A 140 3.044 6.151 -3.220 1.00 0.00 C ATOM 1316 O VAL A 140 3.728 7.086 -2.804 1.00 0.00 O ATOM 1317 CB VAL A 140 4.666 4.359 -2.599 1.00 0.00 C ATOM 1318 CG1 VAL A 140 3.911 4.029 -1.321 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.448 3.151 -3.092 1.00 0.00 C ATOM 0 H VAL A 140 5.184 5.663 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 140 2.925 4.100 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 140 5.375 5.157 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.613 3.681 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.400 4.921 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 140 3.178 3.248 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.129 2.814 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.756 2.347 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.021 3.425 -3.978 1.00 0.00 H new ATOM 1329 N ARG A 141 1.718 6.200 -3.292 1.00 0.00 N ATOM 1330 CA ARG A 141 0.974 7.382 -2.877 1.00 0.00 C ATOM 1331 C ARG A 141 -0.110 7.016 -1.867 1.00 0.00 C ATOM 1332 O ARG A 141 -0.673 5.922 -1.915 1.00 0.00 O ATOM 1333 CB ARG A 141 0.343 8.067 -4.091 1.00 0.00 C ATOM 1334 CG ARG A 141 -0.755 7.248 -4.750 1.00 0.00 C ATOM 1335 CD ARG A 141 -1.336 7.965 -5.958 1.00 0.00 C ATOM 1336 NE ARG A 141 -0.386 8.027 -7.066 1.00 0.00 N ATOM 1337 CZ ARG A 141 -0.695 8.488 -8.273 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -1.921 8.925 -8.527 1.00 0.00 N ATOM 1339 NH2 ARG A 141 0.225 8.513 -9.230 1.00 0.00 N ATOM 0 H ARG A 141 1.137 5.434 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 141 1.673 8.071 -2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.068 9.028 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.121 8.274 -4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.355 6.282 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.547 7.051 -4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.240 7.452 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.628 8.976 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 141 0.566 7.699 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.631 8.908 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.154 9.278 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.169 8.178 -9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.013 8.867 -10.157 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.396 7.937 -0.953 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.411 7.711 0.069 1.00 0.00 C ATOM 1355 C PHE A 142 -2.812 7.785 -0.529 1.00 0.00 C ATOM 1356 O PHE A 142 -3.247 8.841 -0.989 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.269 8.738 1.195 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.182 8.405 2.177 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.386 7.447 3.157 1.00 0.00 C ATOM 1360 CD2 PHE A 142 1.042 9.050 2.119 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.613 7.139 4.062 1.00 0.00 C ATOM 1362 CE2 PHE A 142 2.045 8.746 3.021 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.830 7.789 3.993 1.00 0.00 C ATOM 0 H PHE A 142 0.061 8.847 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.263 6.711 0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -1.067 9.717 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.217 8.815 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.335 6.935 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.215 9.799 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.442 6.391 4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.995 9.256 2.965 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.612 7.549 4.698 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.514 6.657 -0.521 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.866 6.594 -1.061 1.00 0.00 C ATOM 1375 C ALA A 143 -5.796 7.554 -0.327 1.00 0.00 C ATOM 1376 O ALA A 143 -5.796 7.614 0.903 1.00 0.00 O ATOM 1377 CB ALA A 143 -5.402 5.172 -0.979 1.00 0.00 C ATOM 0 H ALA A 143 -3.168 5.774 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.826 6.896 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.413 5.140 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.758 4.507 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -5.420 4.849 0.062 1.00 0.00 H new