USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 931 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 56 THR OG1 : rot 129:sc= 0.893 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.734 K(o=1.6,f=-1.9) USER MOD Single : A 9 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.32) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0268) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.0106 (180deg=-0.152) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0121) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00451) USER MOD Single : A 49 TYR OH : rot -46:sc= 1.3 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc=-0.00105 X(o=-0.001,f=-0.1) USER MOD Single : A 82 ASN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 88 SER OG : rot 180:sc= 0.149 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0.874 K(o=0.87,f=-0.051) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.03) USER MOD Single : A 99 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 173:sc= 1 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -130:sc= 0.721 USER MOD Single : A 113 SER OG : rot 42:sc= 0.0927 USER MOD Single : B 732 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -9.687 12.111 3.474 1.00 0.00 N ATOM 198 CA HIS A 9 -10.551 13.029 4.211 1.00 0.00 C ATOM 199 C HIS A 9 -11.965 12.437 4.349 1.00 0.00 C ATOM 200 O HIS A 9 -12.413 12.283 5.487 1.00 0.00 O ATOM 201 CB HIS A 9 -10.506 14.418 3.538 1.00 0.00 C ATOM 202 CG HIS A 9 -11.723 15.310 3.680 1.00 0.00 C ATOM 203 ND1 HIS A 9 -12.128 16.226 2.737 1.00 0.00 N ATOM 204 CD2 HIS A 9 -12.615 15.382 4.719 1.00 0.00 C ATOM 205 CE1 HIS A 9 -13.218 16.856 3.201 1.00 0.00 C ATOM 206 NE2 HIS A 9 -13.577 16.348 4.393 1.00 0.00 N ATOM 0 HA HIS A 9 -10.194 13.165 5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.647 14.957 3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.322 14.269 2.474 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.582 14.798 5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.733 17.656 2.690 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.389 16.613 4.950 1.00 0.00 H new ATOM 214 N PRO A 10 -12.693 12.109 3.264 1.00 0.00 N ATOM 215 CA PRO A 10 -14.026 11.538 3.379 1.00 0.00 C ATOM 216 C PRO A 10 -13.942 10.075 3.845 1.00 0.00 C ATOM 217 O PRO A 10 -14.039 9.144 3.036 1.00 0.00 O ATOM 218 CB PRO A 10 -14.632 11.683 1.986 1.00 0.00 C ATOM 219 CG PRO A 10 -13.422 11.528 1.065 1.00 0.00 C ATOM 220 CD PRO A 10 -12.327 12.239 1.857 1.00 0.00 C ATOM 0 HA PRO A 10 -14.646 12.039 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.386 10.920 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.117 12.651 1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.179 10.481 0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.588 11.991 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.353 11.789 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.256 13.288 1.568 1.00 0.00 H new ATOM 228 N PHE A 11 -13.797 9.865 5.153 1.00 0.00 N ATOM 229 CA PHE A 11 -13.707 8.541 5.750 1.00 0.00 C ATOM 230 C PHE A 11 -14.947 7.718 5.400 1.00 0.00 C ATOM 231 O PHE A 11 -14.833 6.516 5.187 1.00 0.00 O ATOM 232 CB PHE A 11 -13.513 8.644 7.262 1.00 0.00 C ATOM 233 CG PHE A 11 -12.984 7.366 7.879 1.00 0.00 C ATOM 234 CD1 PHE A 11 -11.595 7.145 7.928 1.00 0.00 C ATOM 235 CD2 PHE A 11 -13.868 6.397 8.396 1.00 0.00 C ATOM 236 CE1 PHE A 11 -11.089 5.983 8.531 1.00 0.00 C ATOM 237 CE2 PHE A 11 -13.359 5.228 8.988 1.00 0.00 C ATOM 238 CZ PHE A 11 -11.970 5.027 9.063 1.00 0.00 C ATOM 0 H PHE A 11 -13.738 10.623 5.833 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.836 8.029 5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.823 9.459 7.480 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.465 8.899 7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.918 7.870 7.501 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.935 6.553 8.337 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.022 5.824 8.586 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.035 4.485 9.385 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.579 4.135 9.531 1.00 0.00 H new ATOM 248 N GLU A 12 -16.115 8.357 5.253 1.00 0.00 N ATOM 249 CA GLU A 12 -17.354 7.678 4.891 1.00 0.00 C ATOM 250 C GLU A 12 -17.168 6.875 3.592 1.00 0.00 C ATOM 251 O GLU A 12 -17.621 5.730 3.496 1.00 0.00 O ATOM 252 CB GLU A 12 -18.526 8.679 4.774 1.00 0.00 C ATOM 253 CG GLU A 12 -18.284 9.908 3.869 1.00 0.00 C ATOM 254 CD GLU A 12 -19.604 10.535 3.418 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.268 11.234 4.215 1.00 0.00 O ATOM 256 OE2 GLU A 12 -20.044 10.298 2.263 1.00 0.00 O ATOM 0 H GLU A 12 -16.222 9.363 5.384 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.605 6.977 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.398 8.143 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.775 9.033 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.693 10.648 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.703 9.611 2.996 1.00 0.00 H new ATOM 263 N TYR A 13 -16.523 7.485 2.594 1.00 0.00 N ATOM 264 CA TYR A 13 -16.240 6.899 1.298 1.00 0.00 C ATOM 265 C TYR A 13 -15.142 5.856 1.447 1.00 0.00 C ATOM 266 O TYR A 13 -15.253 4.788 0.845 1.00 0.00 O ATOM 267 CB TYR A 13 -15.759 7.966 0.297 1.00 0.00 C ATOM 268 CG TYR A 13 -16.806 8.578 -0.613 1.00 0.00 C ATOM 269 CD1 TYR A 13 -17.441 7.769 -1.572 1.00 0.00 C ATOM 270 CD2 TYR A 13 -17.059 9.963 -0.603 1.00 0.00 C ATOM 271 CE1 TYR A 13 -18.290 8.341 -2.537 1.00 0.00 C ATOM 272 CE2 TYR A 13 -17.889 10.543 -1.576 1.00 0.00 C ATOM 273 CZ TYR A 13 -18.484 9.736 -2.569 1.00 0.00 C ATOM 274 OH TYR A 13 -19.221 10.296 -3.567 1.00 0.00 O ATOM 0 H TYR A 13 -16.173 8.439 2.679 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.159 6.448 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.288 8.771 0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.986 7.520 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.276 6.702 -1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.611 10.584 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.794 7.710 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.072 11.607 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 13 -19.258 11.267 -3.441 1.00 0.00 H new ATOM 284 N ARG A 14 -14.082 6.158 2.213 1.00 0.00 N ATOM 285 CA ARG A 14 -12.985 5.208 2.389 1.00 0.00 C ATOM 286 C ARG A 14 -13.509 3.918 3.007 1.00 0.00 C ATOM 287 O ARG A 14 -13.265 2.845 2.468 1.00 0.00 O ATOM 288 CB ARG A 14 -11.899 5.814 3.308 1.00 0.00 C ATOM 289 CG ARG A 14 -11.153 7.044 2.766 1.00 0.00 C ATOM 290 CD ARG A 14 -9.855 6.680 2.013 1.00 0.00 C ATOM 291 NE ARG A 14 -10.036 5.738 0.903 1.00 0.00 N ATOM 292 CZ ARG A 14 -10.757 5.945 -0.201 1.00 0.00 C ATOM 293 NH1 ARG A 14 -11.397 7.094 -0.393 1.00 0.00 N ATOM 294 NH2 ARG A 14 -10.823 4.976 -1.102 1.00 0.00 N ATOM 0 H ARG A 14 -13.966 7.040 2.712 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.550 4.992 1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.366 6.087 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.165 5.038 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.812 7.596 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.911 7.710 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.406 7.595 1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.146 6.253 2.723 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.565 4.837 0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.341 7.832 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.944 7.237 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.330 4.097 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.367 5.108 -1.954 1.00 0.00 H new ATOM 308 N LYS A 15 -14.375 4.015 4.010 1.00 0.00 N ATOM 309 CA LYS A 15 -14.948 2.863 4.676 1.00 0.00 C ATOM 310 C LYS A 15 -15.854 2.100 3.723 1.00 0.00 C ATOM 311 O LYS A 15 -15.757 0.877 3.653 1.00 0.00 O ATOM 312 CB LYS A 15 -15.621 3.349 5.964 1.00 0.00 C ATOM 313 CG LYS A 15 -16.141 2.210 6.856 1.00 0.00 C ATOM 314 CD LYS A 15 -17.617 1.860 6.640 1.00 0.00 C ATOM 315 CE LYS A 15 -18.493 3.045 7.065 1.00 0.00 C ATOM 316 NZ LYS A 15 -19.934 2.793 6.892 1.00 0.00 N ATOM 0 H LYS A 15 -14.699 4.907 4.383 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.188 2.138 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.909 3.948 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.453 4.004 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.539 1.320 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.995 2.487 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.795 1.620 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.880 0.974 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.295 3.278 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.212 3.923 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.472 3.630 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.135 2.598 5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -20.215 1.973 7.467 1.00 0.00 H new ATOM 330 N LYS A 16 -16.729 2.785 2.980 1.00 0.00 N ATOM 331 CA LYS A 16 -17.630 2.125 2.036 1.00 0.00 C ATOM 332 C LYS A 16 -16.861 1.357 0.960 1.00 0.00 C ATOM 333 O LYS A 16 -17.122 0.171 0.744 1.00 0.00 O ATOM 334 CB LYS A 16 -18.554 3.167 1.390 1.00 0.00 C ATOM 335 CG LYS A 16 -19.720 3.557 2.312 1.00 0.00 C ATOM 336 CD LYS A 16 -20.369 4.893 1.923 1.00 0.00 C ATOM 337 CE LYS A 16 -20.895 4.884 0.490 1.00 0.00 C ATOM 338 NZ LYS A 16 -21.472 6.185 0.105 1.00 0.00 N ATOM 0 H LYS A 16 -16.831 3.799 3.016 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.227 1.400 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.977 4.057 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.949 2.770 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.475 2.771 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.359 3.619 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.189 5.109 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.640 5.695 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -20.084 4.631 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.652 4.107 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.817 6.135 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.263 6.415 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.743 6.923 0.178 1.00 0.00 H new ATOM 352 N GLU A 17 -15.929 2.009 0.266 1.00 0.00 N ATOM 353 CA GLU A 17 -15.173 1.351 -0.790 1.00 0.00 C ATOM 354 C GLU A 17 -14.231 0.282 -0.222 1.00 0.00 C ATOM 355 O GLU A 17 -14.022 -0.750 -0.868 1.00 0.00 O ATOM 356 CB GLU A 17 -14.449 2.403 -1.639 1.00 0.00 C ATOM 357 CG GLU A 17 -14.041 1.848 -3.010 1.00 0.00 C ATOM 358 CD GLU A 17 -15.231 1.568 -3.941 1.00 0.00 C ATOM 359 OE1 GLU A 17 -15.711 2.509 -4.620 1.00 0.00 O ATOM 360 OE2 GLU A 17 -15.682 0.404 -4.043 1.00 0.00 O ATOM 0 H GLU A 17 -15.683 2.987 0.417 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.860 0.817 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.097 3.268 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.562 2.750 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.371 2.558 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.478 0.926 -2.866 1.00 0.00 H new ATOM 367 N GLY A 18 -13.681 0.492 0.979 1.00 0.00 N ATOM 368 CA GLY A 18 -12.788 -0.450 1.642 1.00 0.00 C ATOM 369 C GLY A 18 -13.570 -1.722 1.948 1.00 0.00 C ATOM 370 O GLY A 18 -13.131 -2.830 1.629 1.00 0.00 O ATOM 0 H GLY A 18 -13.850 1.338 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.933 -0.675 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.395 -0.016 2.561 1.00 0.00 H new ATOM 374 N GLU A 19 -14.782 -1.567 2.495 1.00 0.00 N ATOM 375 CA GLU A 19 -15.685 -2.663 2.818 1.00 0.00 C ATOM 376 C GLU A 19 -15.960 -3.437 1.525 1.00 0.00 C ATOM 377 O GLU A 19 -15.959 -4.669 1.510 1.00 0.00 O ATOM 378 CB GLU A 19 -16.990 -2.089 3.419 1.00 0.00 C ATOM 379 CG GLU A 19 -18.137 -3.104 3.548 1.00 0.00 C ATOM 380 CD GLU A 19 -19.407 -2.544 4.224 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.631 -1.312 4.306 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.268 -3.368 4.622 1.00 0.00 O ATOM 0 H GLU A 19 -15.165 -0.651 2.728 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.247 -3.336 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.771 -1.681 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.326 -1.259 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.399 -3.467 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.784 -3.963 4.119 1.00 0.00 H new ATOM 389 N LYS A 20 -16.106 -2.717 0.404 1.00 0.00 N ATOM 390 CA LYS A 20 -16.392 -3.324 -0.883 1.00 0.00 C ATOM 391 C LYS A 20 -15.242 -4.180 -1.417 1.00 0.00 C ATOM 392 O LYS A 20 -15.493 -5.332 -1.793 1.00 0.00 O ATOM 393 CB LYS A 20 -16.699 -2.186 -1.888 1.00 0.00 C ATOM 394 CG LYS A 20 -17.795 -2.544 -2.893 1.00 0.00 C ATOM 395 CD LYS A 20 -19.219 -2.172 -2.455 1.00 0.00 C ATOM 396 CE LYS A 20 -19.650 -2.726 -1.093 1.00 0.00 C ATOM 397 NZ LYS A 20 -20.017 -4.160 -1.112 1.00 0.00 N ATOM 0 H LYS A 20 -16.028 -1.700 0.374 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.241 -3.995 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.999 -1.295 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.787 -1.934 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.579 -2.045 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.757 -3.617 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.302 -1.085 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.919 -2.527 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.839 -2.579 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.501 -2.149 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.296 -4.460 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.812 -4.306 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.201 -4.723 -1.427 1.00 0.00 H new ATOM 411 N ILE A 21 -13.997 -3.681 -1.402 1.00 0.00 N ATOM 412 CA ILE A 21 -12.883 -4.466 -1.935 1.00 0.00 C ATOM 413 C ILE A 21 -12.458 -5.576 -0.982 1.00 0.00 C ATOM 414 O ILE A 21 -12.128 -6.669 -1.439 1.00 0.00 O ATOM 415 CB ILE A 21 -11.694 -3.537 -2.290 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.667 -4.192 -3.238 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.924 -3.036 -1.054 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.220 -4.410 -4.645 1.00 0.00 C ATOM 0 H ILE A 21 -13.744 -2.763 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.225 -4.954 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.173 -2.697 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.778 -3.563 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.354 -5.150 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.105 -2.391 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.599 -2.474 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.523 -3.888 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.455 -4.873 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.092 -5.062 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.507 -3.451 -5.076 1.00 0.00 H new ATOM 430 N ARG A 22 -12.608 -5.367 0.330 1.00 0.00 N ATOM 431 CA ARG A 22 -12.219 -6.362 1.315 1.00 0.00 C ATOM 432 C ARG A 22 -13.162 -7.542 1.203 1.00 0.00 C ATOM 433 O ARG A 22 -12.723 -8.686 1.143 1.00 0.00 O ATOM 434 CB ARG A 22 -12.158 -5.712 2.703 1.00 0.00 C ATOM 435 CG ARG A 22 -11.436 -6.613 3.709 1.00 0.00 C ATOM 436 CD ARG A 22 -12.385 -7.466 4.563 1.00 0.00 C ATOM 437 NE ARG A 22 -12.443 -6.945 5.940 1.00 0.00 N ATOM 438 CZ ARG A 22 -12.212 -7.628 7.068 1.00 0.00 C ATOM 439 NH1 ARG A 22 -12.217 -8.954 7.065 1.00 0.00 N ATOM 440 NH2 ARG A 22 -11.966 -6.981 8.203 1.00 0.00 N ATOM 0 H ARG A 22 -12.998 -4.513 0.728 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.217 -6.750 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.643 -4.753 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.169 -5.507 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.755 -7.272 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.827 -5.993 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.382 -7.463 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.045 -8.501 4.573 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.685 -5.960 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.398 -9.461 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.040 -9.467 7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.953 -5.961 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.790 -7.504 9.061 1.00 0.00 H new ATOM 454 N LYS A 23 -14.466 -7.281 1.107 1.00 0.00 N ATOM 455 CA LYS A 23 -15.438 -8.355 0.970 1.00 0.00 C ATOM 456 C LYS A 23 -15.236 -9.075 -0.355 1.00 0.00 C ATOM 457 O LYS A 23 -15.357 -10.301 -0.390 1.00 0.00 O ATOM 458 CB LYS A 23 -16.850 -7.786 1.088 1.00 0.00 C ATOM 459 CG LYS A 23 -17.155 -7.539 2.562 1.00 0.00 C ATOM 460 CD LYS A 23 -18.504 -6.852 2.743 1.00 0.00 C ATOM 461 CE LYS A 23 -18.919 -6.979 4.208 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.507 -8.305 4.489 1.00 0.00 N ATOM 0 H LYS A 23 -14.866 -6.343 1.122 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.296 -9.083 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.931 -6.857 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.574 -8.481 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.153 -8.487 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.369 -6.923 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.436 -5.802 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.252 -7.310 2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.051 -6.821 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.641 -6.200 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.916 -8.308 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.253 -8.509 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.767 -9.033 4.427 1.00 0.00 H new ATOM 476 N LYS A 24 -14.922 -8.363 -1.448 1.00 0.00 N ATOM 477 CA LYS A 24 -14.720 -9.049 -2.724 1.00 0.00 C ATOM 478 C LYS A 24 -13.444 -9.899 -2.739 1.00 0.00 C ATOM 479 O LYS A 24 -13.443 -10.953 -3.381 1.00 0.00 O ATOM 480 CB LYS A 24 -14.768 -8.068 -3.901 1.00 0.00 C ATOM 481 CG LYS A 24 -14.901 -8.878 -5.202 1.00 0.00 C ATOM 482 CD LYS A 24 -15.502 -8.067 -6.348 1.00 0.00 C ATOM 483 CE LYS A 24 -15.941 -8.974 -7.501 1.00 0.00 C ATOM 484 NZ LYS A 24 -17.119 -9.813 -7.170 1.00 0.00 N ATOM 0 H LYS A 24 -14.807 -7.350 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.551 -9.744 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.610 -7.385 -3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.865 -7.459 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.918 -9.243 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.524 -9.753 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.358 -7.498 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.769 -7.345 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.174 -8.359 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.110 -9.621 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.511 -10.221 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.830 -10.579 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.843 -9.228 -6.706 1.00 0.00 H new ATOM 498 N TYR A 25 -12.389 -9.512 -2.027 1.00 0.00 N ATOM 499 CA TYR A 25 -11.128 -10.242 -1.975 1.00 0.00 C ATOM 500 C TYR A 25 -10.781 -10.468 -0.498 1.00 0.00 C ATOM 501 O TYR A 25 -9.933 -9.767 0.042 1.00 0.00 O ATOM 502 CB TYR A 25 -10.053 -9.456 -2.742 1.00 0.00 C ATOM 503 CG TYR A 25 -10.366 -9.213 -4.209 1.00 0.00 C ATOM 504 CD1 TYR A 25 -9.997 -10.165 -5.178 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.009 -8.026 -4.611 1.00 0.00 C ATOM 506 CE1 TYR A 25 -10.244 -9.918 -6.540 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.278 -7.783 -5.972 1.00 0.00 C ATOM 508 CZ TYR A 25 -10.889 -8.730 -6.946 1.00 0.00 C ATOM 509 OH TYR A 25 -11.117 -8.509 -8.270 1.00 0.00 O ATOM 0 H TYR A 25 -12.388 -8.665 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.197 -11.217 -2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.908 -8.493 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.109 -9.996 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.523 -11.087 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.298 -7.296 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.938 -10.642 -7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.780 -6.875 -6.271 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.570 -7.648 -8.385 1.00 0.00 H new ATOM 519 N PRO A 26 -11.387 -11.460 0.176 1.00 0.00 N ATOM 520 CA PRO A 26 -11.140 -11.721 1.596 1.00 0.00 C ATOM 521 C PRO A 26 -9.757 -12.294 1.932 1.00 0.00 C ATOM 522 O PRO A 26 -9.436 -12.410 3.113 1.00 0.00 O ATOM 523 CB PRO A 26 -12.251 -12.690 2.014 1.00 0.00 C ATOM 524 CG PRO A 26 -12.559 -13.451 0.728 1.00 0.00 C ATOM 525 CD PRO A 26 -12.395 -12.375 -0.340 1.00 0.00 C ATOM 0 HA PRO A 26 -11.149 -10.777 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.922 -13.360 2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.127 -12.160 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.872 -14.283 0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.567 -13.867 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.081 -12.810 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.337 -11.858 -0.523 1.00 0.00 H new ATOM 533 N ASP A 27 -8.928 -12.607 0.931 1.00 0.00 N ATOM 534 CA ASP A 27 -7.587 -13.188 1.093 1.00 0.00 C ATOM 535 C ASP A 27 -6.482 -12.234 0.603 1.00 0.00 C ATOM 536 O ASP A 27 -5.320 -12.617 0.417 1.00 0.00 O ATOM 537 CB ASP A 27 -7.534 -14.541 0.365 1.00 0.00 C ATOM 538 CG ASP A 27 -8.724 -15.438 0.699 1.00 0.00 C ATOM 539 OD1 ASP A 27 -8.790 -15.980 1.826 1.00 0.00 O ATOM 540 OD2 ASP A 27 -9.632 -15.551 -0.159 1.00 0.00 O ATOM 0 H ASP A 27 -9.178 -12.459 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.399 -13.346 2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.505 -14.369 -0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.611 -15.056 0.631 1.00 0.00 H new ATOM 545 N ARG A 28 -6.861 -11.001 0.259 1.00 0.00 N ATOM 546 CA ARG A 28 -5.979 -9.937 -0.203 1.00 0.00 C ATOM 547 C ARG A 28 -6.430 -8.670 0.516 1.00 0.00 C ATOM 548 O ARG A 28 -7.557 -8.607 1.011 1.00 0.00 O ATOM 549 CB ARG A 28 -6.019 -9.738 -1.737 1.00 0.00 C ATOM 550 CG ARG A 28 -5.515 -10.891 -2.630 1.00 0.00 C ATOM 551 CD ARG A 28 -6.579 -11.934 -2.989 1.00 0.00 C ATOM 552 NE ARG A 28 -6.065 -12.945 -3.936 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.573 -14.156 -3.639 1.00 0.00 C ATOM 554 NH1 ARG A 28 -5.357 -14.485 -2.368 1.00 0.00 N ATOM 555 NH2 ARG A 28 -5.308 -15.043 -4.597 1.00 0.00 N ATOM 0 H ARG A 28 -7.837 -10.708 0.298 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.944 -10.193 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.050 -9.523 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.432 -8.851 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.113 -10.470 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.691 -11.392 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.922 -12.429 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.444 -11.434 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.087 -12.694 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.566 -13.817 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.983 -15.405 -2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.479 -14.805 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.934 -15.960 -4.354 1.00 0.00 H new ATOM 569 N VAL A 29 -5.575 -7.657 0.592 1.00 0.00 N ATOM 570 CA VAL A 29 -5.913 -6.395 1.241 1.00 0.00 C ATOM 571 C VAL A 29 -5.310 -5.250 0.420 1.00 0.00 C ATOM 572 O VAL A 29 -4.276 -5.443 -0.243 1.00 0.00 O ATOM 573 CB VAL A 29 -5.485 -6.375 2.726 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.379 -7.289 3.572 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.035 -6.807 2.940 1.00 0.00 C ATOM 0 H VAL A 29 -4.631 -7.686 0.207 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.995 -6.269 1.265 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.589 -5.336 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.054 -7.255 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.413 -6.951 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.306 -8.312 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.798 -6.771 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.900 -7.824 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.371 -6.134 2.397 1.00 0.00 H new ATOM 585 N PRO A 30 -5.961 -4.071 0.415 1.00 0.00 N ATOM 586 CA PRO A 30 -5.496 -2.915 -0.327 1.00 0.00 C ATOM 587 C PRO A 30 -4.366 -2.186 0.423 1.00 0.00 C ATOM 588 O PRO A 30 -4.508 -1.764 1.582 1.00 0.00 O ATOM 589 CB PRO A 30 -6.742 -2.051 -0.517 1.00 0.00 C ATOM 590 CG PRO A 30 -7.534 -2.308 0.765 1.00 0.00 C ATOM 591 CD PRO A 30 -7.190 -3.748 1.133 1.00 0.00 C ATOM 0 HA PRO A 30 -5.054 -3.181 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.489 -0.997 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.304 -2.342 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.247 -1.615 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.605 -2.183 0.604 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.051 -3.852 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.996 -4.425 0.849 1.00 0.00 H new ATOM 599 N VAL A 31 -3.254 -1.962 -0.274 1.00 0.00 N ATOM 600 CA VAL A 31 -2.065 -1.302 0.244 1.00 0.00 C ATOM 601 C VAL A 31 -1.833 -0.017 -0.556 1.00 0.00 C ATOM 602 O VAL A 31 -1.839 -0.042 -1.788 1.00 0.00 O ATOM 603 CB VAL A 31 -0.884 -2.297 0.183 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.432 -1.650 0.626 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.133 -3.522 1.079 1.00 0.00 C ATOM 0 H VAL A 31 -3.156 -2.246 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.177 -1.008 1.288 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.807 -2.606 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.236 -2.384 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.661 -0.808 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.336 -1.297 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.283 -4.201 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.258 -3.198 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.035 -4.037 0.749 1.00 0.00 H new ATOM 615 N ILE A 32 -1.618 1.104 0.132 1.00 0.00 N ATOM 616 CA ILE A 32 -1.365 2.416 -0.464 1.00 0.00 C ATOM 617 C ILE A 32 0.128 2.663 -0.284 1.00 0.00 C ATOM 618 O ILE A 32 0.594 2.760 0.850 1.00 0.00 O ATOM 619 CB ILE A 32 -2.307 3.497 0.124 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.638 3.452 -0.664 1.00 0.00 C ATOM 621 CG2 ILE A 32 -1.725 4.925 0.044 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.808 4.153 0.040 1.00 0.00 C ATOM 0 H ILE A 32 -1.615 1.125 1.152 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.599 2.460 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.447 3.274 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.486 3.914 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.907 2.411 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.435 5.632 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.789 4.968 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.539 5.184 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.703 4.076 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.990 3.678 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.563 5.204 0.194 1.00 0.00 H new ATOM 634 N VAL A 33 0.880 2.723 -1.388 1.00 0.00 N ATOM 635 CA VAL A 33 2.332 2.927 -1.367 1.00 0.00 C ATOM 636 C VAL A 33 2.671 4.381 -1.722 1.00 0.00 C ATOM 637 O VAL A 33 2.252 4.875 -2.778 1.00 0.00 O ATOM 638 CB VAL A 33 3.034 1.926 -2.319 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.558 1.959 -2.157 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.592 0.458 -2.163 1.00 0.00 C ATOM 0 H VAL A 33 0.495 2.631 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 33 2.702 2.737 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 33 2.728 2.269 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.012 1.243 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.926 2.960 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.821 1.697 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.139 -0.164 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.801 0.121 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.523 0.377 -2.359 1.00 0.00 H new ATOM 650 N GLU A 34 3.448 5.056 -0.872 1.00 0.00 N ATOM 651 CA GLU A 34 3.902 6.436 -1.024 1.00 0.00 C ATOM 652 C GLU A 34 5.401 6.532 -0.718 1.00 0.00 C ATOM 653 O GLU A 34 5.950 5.717 0.019 1.00 0.00 O ATOM 654 CB GLU A 34 3.072 7.376 -0.135 1.00 0.00 C ATOM 655 CG GLU A 34 3.153 7.076 1.374 1.00 0.00 C ATOM 656 CD GLU A 34 3.911 8.139 2.173 1.00 0.00 C ATOM 657 OE1 GLU A 34 5.152 8.088 2.272 1.00 0.00 O ATOM 658 OE2 GLU A 34 3.245 9.014 2.782 1.00 0.00 O ATOM 0 H GLU A 34 3.795 4.629 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 34 3.753 6.753 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.402 8.401 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.029 7.321 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.142 6.987 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.639 6.111 1.518 1.00 0.00 H new ATOM 665 N LYS A 35 6.080 7.485 -1.354 1.00 0.00 N ATOM 666 CA LYS A 35 7.508 7.728 -1.174 1.00 0.00 C ATOM 667 C LYS A 35 7.670 8.730 -0.043 1.00 0.00 C ATOM 668 O LYS A 35 6.938 9.723 -0.009 1.00 0.00 O ATOM 669 CB LYS A 35 8.161 8.201 -2.482 1.00 0.00 C ATOM 670 CG LYS A 35 7.701 9.586 -2.980 1.00 0.00 C ATOM 671 CD LYS A 35 8.673 10.729 -2.633 1.00 0.00 C ATOM 672 CE LYS A 35 9.821 10.853 -3.648 1.00 0.00 C ATOM 673 NZ LYS A 35 9.384 11.452 -4.927 1.00 0.00 N ATOM 0 H LYS A 35 5.644 8.121 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 35 8.023 6.805 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.242 8.223 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.954 7.466 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.572 9.548 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.725 9.810 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.124 11.670 -2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.087 10.560 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.617 11.462 -3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.242 9.866 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.209 11.592 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.705 10.817 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.930 12.369 -4.743 1.00 0.00 H new ATOM 687 N ALA A 36 8.673 8.536 0.803 1.00 0.00 N ATOM 688 CA ALA A 36 8.899 9.428 1.918 1.00 0.00 C ATOM 689 C ALA A 36 9.816 10.562 1.453 1.00 0.00 C ATOM 690 O ALA A 36 10.707 10.343 0.620 1.00 0.00 O ATOM 691 CB ALA A 36 9.574 8.653 3.055 1.00 0.00 C ATOM 0 H ALA A 36 9.340 7.767 0.733 1.00 0.00 H new ATOM 0 HA ALA A 36 7.954 9.837 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.747 9.321 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.929 7.832 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.527 8.254 2.708 1.00 0.00 H new ATOM 697 N PRO A 37 9.594 11.784 1.961 1.00 0.00 N ATOM 698 CA PRO A 37 10.380 12.952 1.604 1.00 0.00 C ATOM 699 C PRO A 37 11.831 12.778 2.058 1.00 0.00 C ATOM 700 O PRO A 37 12.080 12.248 3.143 1.00 0.00 O ATOM 701 CB PRO A 37 9.690 14.134 2.291 1.00 0.00 C ATOM 702 CG PRO A 37 8.943 13.500 3.458 1.00 0.00 C ATOM 703 CD PRO A 37 8.571 12.124 2.937 1.00 0.00 C ATOM 0 HA PRO A 37 10.427 13.111 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.414 14.873 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.008 14.647 1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.569 13.436 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.060 14.078 3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.543 11.394 3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.581 12.132 2.480 1.00 0.00 H new ATOM 711 N LYS A 38 12.758 13.248 1.218 1.00 0.00 N ATOM 712 CA LYS A 38 14.225 13.264 1.310 1.00 0.00 C ATOM 713 C LYS A 38 14.860 12.065 0.606 1.00 0.00 C ATOM 714 O LYS A 38 16.051 12.120 0.314 1.00 0.00 O ATOM 715 CB LYS A 38 14.773 13.382 2.746 1.00 0.00 C ATOM 716 CG LYS A 38 14.318 14.676 3.442 1.00 0.00 C ATOM 717 CD LYS A 38 14.718 14.701 4.922 1.00 0.00 C ATOM 718 CE LYS A 38 13.617 14.228 5.884 1.00 0.00 C ATOM 719 NZ LYS A 38 13.153 12.838 5.691 1.00 0.00 N ATOM 0 H LYS A 38 12.460 13.682 0.345 1.00 0.00 H new ATOM 0 HA LYS A 38 14.514 14.178 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.443 12.523 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.862 13.350 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.756 15.535 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.236 14.773 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.598 14.073 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.007 15.717 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.983 14.331 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.761 14.895 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.413 12.619 6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.768 12.731 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.952 12.184 5.818 1.00 0.00 H new ATOM 733 N ALA A 39 14.100 11.011 0.303 1.00 0.00 N ATOM 734 CA ALA A 39 14.591 9.808 -0.359 1.00 0.00 C ATOM 735 C ALA A 39 14.916 10.024 -1.841 1.00 0.00 C ATOM 736 O ALA A 39 14.221 10.790 -2.514 1.00 0.00 O ATOM 737 CB ALA A 39 13.481 8.754 -0.296 1.00 0.00 C ATOM 0 H ALA A 39 13.104 10.972 0.517 1.00 0.00 H new ATOM 0 HA ALA A 39 15.507 9.508 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.819 7.840 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.240 8.541 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.593 9.130 -0.804 1.00 0.00 H new ATOM 743 N ARG A 40 15.873 9.249 -2.356 1.00 0.00 N ATOM 744 CA ARG A 40 16.361 9.216 -3.731 1.00 0.00 C ATOM 745 C ARG A 40 15.683 8.005 -4.366 1.00 0.00 C ATOM 746 O ARG A 40 16.248 6.916 -4.369 1.00 0.00 O ATOM 747 CB ARG A 40 17.904 9.082 -3.708 1.00 0.00 C ATOM 748 CG ARG A 40 18.649 9.276 -5.038 1.00 0.00 C ATOM 749 CD ARG A 40 18.303 8.280 -6.163 1.00 0.00 C ATOM 750 NE ARG A 40 19.358 8.178 -7.189 1.00 0.00 N ATOM 751 CZ ARG A 40 19.962 9.176 -7.841 1.00 0.00 C ATOM 752 NH1 ARG A 40 19.479 10.412 -7.823 1.00 0.00 N ATOM 753 NH2 ARG A 40 21.071 8.925 -8.511 1.00 0.00 N ATOM 0 H ARG A 40 16.365 8.574 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 40 16.132 10.117 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.295 9.807 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.151 8.092 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.448 10.285 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.720 9.215 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.131 7.295 -5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.371 8.586 -6.638 1.00 0.00 H new ATOM 0 HE ARG A 40 19.662 7.235 -7.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.627 10.619 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.960 11.155 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.455 7.980 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 40 21.544 9.676 -9.014 1.00 0.00 H new ATOM 767 N VAL A 41 14.436 8.146 -4.805 1.00 0.00 N ATOM 768 CA VAL A 41 13.689 7.051 -5.431 1.00 0.00 C ATOM 769 C VAL A 41 12.972 7.552 -6.690 1.00 0.00 C ATOM 770 O VAL A 41 12.675 8.749 -6.785 1.00 0.00 O ATOM 771 CB VAL A 41 12.749 6.373 -4.407 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.527 5.466 -3.445 1.00 0.00 C ATOM 773 CG2 VAL A 41 11.922 7.355 -3.564 1.00 0.00 C ATOM 0 H VAL A 41 13.913 9.019 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 41 14.381 6.275 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 41 12.061 5.792 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.835 5.006 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.038 4.688 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.261 6.059 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.290 6.798 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.592 8.005 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.296 7.960 -4.220 1.00 0.00 H new ATOM 783 N PRO A 42 12.682 6.692 -7.682 1.00 0.00 N ATOM 784 CA PRO A 42 11.995 7.125 -8.890 1.00 0.00 C ATOM 785 C PRO A 42 10.505 7.351 -8.617 1.00 0.00 C ATOM 786 O PRO A 42 9.950 6.795 -7.664 1.00 0.00 O ATOM 787 CB PRO A 42 12.256 6.014 -9.898 1.00 0.00 C ATOM 788 CG PRO A 42 12.379 4.752 -9.045 1.00 0.00 C ATOM 789 CD PRO A 42 12.971 5.263 -7.730 1.00 0.00 C ATOM 0 HA PRO A 42 12.354 8.083 -9.267 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.441 5.930 -10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.167 6.199 -10.468 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.410 4.276 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.026 4.012 -9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 42 12.529 4.747 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.045 5.081 -7.690 1.00 0.00 H new ATOM 797 N ASP A 43 9.844 8.166 -9.437 1.00 0.00 N ATOM 798 CA ASP A 43 8.422 8.461 -9.272 1.00 0.00 C ATOM 799 C ASP A 43 7.558 7.409 -9.973 1.00 0.00 C ATOM 800 O ASP A 43 7.918 6.929 -11.050 1.00 0.00 O ATOM 801 CB ASP A 43 8.096 9.897 -9.702 1.00 0.00 C ATOM 802 CG ASP A 43 7.621 10.051 -11.142 1.00 0.00 C ATOM 803 OD1 ASP A 43 6.400 9.947 -11.386 1.00 0.00 O ATOM 804 OD2 ASP A 43 8.448 10.424 -12.009 1.00 0.00 O ATOM 0 H ASP A 43 10.277 8.638 -10.231 1.00 0.00 H new ATOM 0 HA ASP A 43 8.178 8.402 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.327 10.292 -9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.985 10.512 -9.562 1.00 0.00 H new ATOM 809 N LEU A 44 6.487 6.968 -9.303 1.00 0.00 N ATOM 810 CA LEU A 44 5.521 5.989 -9.794 1.00 0.00 C ATOM 811 C LEU A 44 4.142 6.544 -9.457 1.00 0.00 C ATOM 812 O LEU A 44 3.864 6.836 -8.291 1.00 0.00 O ATOM 813 CB LEU A 44 5.729 4.597 -9.174 1.00 0.00 C ATOM 814 CG LEU A 44 6.986 3.845 -9.653 1.00 0.00 C ATOM 815 CD1 LEU A 44 7.060 2.497 -8.926 1.00 0.00 C ATOM 816 CD2 LEU A 44 6.986 3.564 -11.161 1.00 0.00 C ATOM 0 H LEU A 44 6.264 7.300 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 44 5.642 5.844 -10.868 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.780 4.704 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.854 3.985 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 44 7.841 4.485 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.946 1.954 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.118 2.666 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.169 1.911 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.898 3.033 -11.432 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.120 2.953 -11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.939 4.506 -11.707 1.00 0.00 H new ATOM 828 N ASP A 45 3.258 6.581 -10.452 1.00 0.00 N ATOM 829 CA ASP A 45 1.896 7.119 -10.340 1.00 0.00 C ATOM 830 C ASP A 45 0.926 6.239 -9.557 1.00 0.00 C ATOM 831 O ASP A 45 0.021 6.759 -8.905 1.00 0.00 O ATOM 832 CB ASP A 45 1.282 7.332 -11.734 1.00 0.00 C ATOM 833 CG ASP A 45 2.219 7.987 -12.738 1.00 0.00 C ATOM 834 OD1 ASP A 45 2.884 8.991 -12.396 1.00 0.00 O ATOM 835 OD2 ASP A 45 2.344 7.460 -13.871 1.00 0.00 O ATOM 0 H ASP A 45 3.471 6.229 -11.385 1.00 0.00 H new ATOM 0 HA ASP A 45 2.021 8.054 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.963 6.367 -12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.388 7.947 -11.634 1.00 0.00 H new ATOM 840 N LYS A 46 1.101 4.915 -9.626 1.00 0.00 N ATOM 841 CA LYS A 46 0.234 3.951 -8.952 1.00 0.00 C ATOM 842 C LYS A 46 0.250 4.140 -7.440 1.00 0.00 C ATOM 843 O LYS A 46 1.309 4.001 -6.818 1.00 0.00 O ATOM 844 CB LYS A 46 0.508 2.484 -9.352 1.00 0.00 C ATOM 845 CG LYS A 46 1.944 2.094 -9.750 1.00 0.00 C ATOM 846 CD LYS A 46 2.183 2.255 -11.254 1.00 0.00 C ATOM 847 CE LYS A 46 3.558 1.726 -11.660 1.00 0.00 C ATOM 848 NZ LYS A 46 3.851 2.041 -13.074 1.00 0.00 N ATOM 0 H LYS A 46 1.856 4.482 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.775 4.165 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.210 1.850 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.147 2.239 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.654 2.713 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.133 1.060 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.409 1.722 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.101 3.307 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.324 2.164 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.596 0.647 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.790 1.671 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.132 1.602 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.837 3.072 -13.210 1.00 0.00 H new ATOM 862 N ARG A 47 -0.915 4.417 -6.845 1.00 0.00 N ATOM 863 CA ARG A 47 -1.076 4.611 -5.405 1.00 0.00 C ATOM 864 C ARG A 47 -1.707 3.402 -4.735 1.00 0.00 C ATOM 865 O ARG A 47 -1.168 2.998 -3.706 1.00 0.00 O ATOM 866 CB ARG A 47 -1.914 5.864 -5.088 1.00 0.00 C ATOM 867 CG ARG A 47 -1.220 7.216 -5.318 1.00 0.00 C ATOM 868 CD ARG A 47 -0.133 7.552 -4.274 1.00 0.00 C ATOM 869 NE ARG A 47 1.143 6.852 -4.502 1.00 0.00 N ATOM 870 CZ ARG A 47 1.989 7.030 -5.524 1.00 0.00 C ATOM 871 NH1 ARG A 47 1.818 7.988 -6.428 1.00 0.00 N ATOM 872 NH2 ARG A 47 3.038 6.228 -5.635 1.00 0.00 N ATOM 0 H ARG A 47 -1.788 4.514 -7.363 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.071 4.747 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.819 5.835 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.228 5.812 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.768 7.216 -6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.972 8.005 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.046 8.627 -4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.504 7.298 -3.281 1.00 0.00 H new ATOM 0 HE ARG A 47 1.411 6.156 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.020 8.619 -6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.485 8.092 -7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.190 5.490 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.693 6.349 -6.407 1.00 0.00 H new ATOM 886 N LYS A 48 -2.831 2.867 -5.237 1.00 0.00 N ATOM 887 CA LYS A 48 -3.493 1.716 -4.617 1.00 0.00 C ATOM 888 C LYS A 48 -3.039 0.414 -5.267 1.00 0.00 C ATOM 889 O LYS A 48 -3.046 0.266 -6.492 1.00 0.00 O ATOM 890 CB LYS A 48 -5.026 1.787 -4.715 1.00 0.00 C ATOM 891 CG LYS A 48 -5.749 2.907 -3.952 1.00 0.00 C ATOM 892 CD LYS A 48 -5.782 4.240 -4.708 1.00 0.00 C ATOM 893 CE LYS A 48 -6.688 5.288 -4.042 1.00 0.00 C ATOM 894 NZ LYS A 48 -8.129 4.989 -4.192 1.00 0.00 N ATOM 0 H LYS A 48 -3.299 3.217 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.208 1.742 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.289 1.878 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.427 0.835 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.771 2.592 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.258 3.056 -2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.769 4.636 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.127 4.065 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.444 5.349 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.479 6.267 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.689 5.748 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.367 4.924 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.346 4.085 -3.727 1.00 0.00 H new ATOM 908 N TYR A 49 -2.719 -0.557 -4.427 1.00 0.00 N ATOM 909 CA TYR A 49 -2.262 -1.883 -4.789 1.00 0.00 C ATOM 910 C TYR A 49 -3.096 -2.892 -4.005 1.00 0.00 C ATOM 911 O TYR A 49 -3.727 -2.528 -3.012 1.00 0.00 O ATOM 912 CB TYR A 49 -0.780 -2.013 -4.426 1.00 0.00 C ATOM 913 CG TYR A 49 0.137 -0.995 -5.087 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.228 0.308 -4.569 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.912 -1.343 -6.206 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.085 1.252 -5.153 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.812 -0.421 -6.769 1.00 0.00 C ATOM 918 CZ TYR A 49 1.910 0.879 -6.231 1.00 0.00 C ATOM 919 OH TYR A 49 2.804 1.774 -6.733 1.00 0.00 O ATOM 0 H TYR A 49 -2.776 -0.430 -3.416 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.375 -2.064 -5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.677 -1.923 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.442 -3.013 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.368 0.585 -3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.816 -2.328 -6.638 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.112 2.264 -4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.426 -0.707 -7.610 1.00 0.00 H new ATOM 0 HH TYR A 49 2.367 2.644 -6.848 1.00 0.00 H new ATOM 929 N LEU A 50 -3.078 -4.161 -4.397 1.00 0.00 N ATOM 930 CA LEU A 50 -3.803 -5.255 -3.754 1.00 0.00 C ATOM 931 C LEU A 50 -2.812 -6.404 -3.655 1.00 0.00 C ATOM 932 O LEU A 50 -2.258 -6.813 -4.679 1.00 0.00 O ATOM 933 CB LEU A 50 -5.043 -5.645 -4.582 1.00 0.00 C ATOM 934 CG LEU A 50 -6.306 -4.853 -4.202 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.335 -4.906 -5.335 1.00 0.00 C ATOM 936 CD2 LEU A 50 -6.945 -5.404 -2.922 1.00 0.00 C ATOM 0 H LEU A 50 -2.536 -4.470 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.174 -4.974 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.829 -5.488 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.238 -6.709 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.002 -3.821 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.221 -4.340 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.905 -4.473 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.612 -5.943 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.835 -4.823 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.223 -6.447 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.232 -5.334 -2.100 1.00 0.00 H new ATOM 948 N VAL A 51 -2.558 -6.902 -2.445 1.00 0.00 N ATOM 949 CA VAL A 51 -1.608 -7.997 -2.230 1.00 0.00 C ATOM 950 C VAL A 51 -2.199 -9.048 -1.277 1.00 0.00 C ATOM 951 O VAL A 51 -2.961 -8.673 -0.380 1.00 0.00 O ATOM 952 CB VAL A 51 -0.256 -7.441 -1.721 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.569 -6.810 -2.850 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.392 -6.367 -0.633 1.00 0.00 C ATOM 0 H VAL A 51 -3.000 -6.562 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.419 -8.497 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 51 0.239 -8.319 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.509 -6.433 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.776 -7.561 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.009 -5.987 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.599 -6.029 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.960 -5.523 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.912 -6.786 0.229 1.00 0.00 H new ATOM 964 N PRO A 52 -1.861 -10.344 -1.442 1.00 0.00 N ATOM 965 CA PRO A 52 -2.363 -11.420 -0.597 1.00 0.00 C ATOM 966 C PRO A 52 -1.835 -11.290 0.824 1.00 0.00 C ATOM 967 O PRO A 52 -0.720 -10.811 1.046 1.00 0.00 O ATOM 968 CB PRO A 52 -1.978 -12.735 -1.279 1.00 0.00 C ATOM 969 CG PRO A 52 -0.817 -12.371 -2.201 1.00 0.00 C ATOM 970 CD PRO A 52 -0.980 -10.873 -2.469 1.00 0.00 C ATOM 0 HA PRO A 52 -3.447 -11.379 -0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.682 -13.488 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.815 -13.149 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.143 -12.586 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.854 -12.944 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.013 -10.370 -2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.400 -10.703 -3.460 1.00 0.00 H new ATOM 978 N SER A 53 -2.651 -11.682 1.797 1.00 0.00 N ATOM 979 CA SER A 53 -2.299 -11.610 3.219 1.00 0.00 C ATOM 980 C SER A 53 -1.185 -12.595 3.604 1.00 0.00 C ATOM 981 O SER A 53 -0.272 -12.293 4.364 1.00 0.00 O ATOM 982 CB SER A 53 -3.576 -11.902 4.022 1.00 0.00 C ATOM 983 OG SER A 53 -4.327 -12.925 3.385 1.00 0.00 O ATOM 0 H SER A 53 -3.582 -12.062 1.625 1.00 0.00 H new ATOM 0 HA SER A 53 -1.909 -10.617 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.316 -12.208 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.177 -10.997 4.106 1.00 0.00 H new ATOM 0 HG SER A 53 -5.138 -13.106 3.904 1.00 0.00 H new ATOM 989 N ASP A 54 -1.225 -13.777 3.016 1.00 0.00 N ATOM 990 CA ASP A 54 -0.295 -14.883 3.255 1.00 0.00 C ATOM 991 C ASP A 54 1.109 -14.637 2.693 1.00 0.00 C ATOM 992 O ASP A 54 1.982 -15.495 2.818 1.00 0.00 O ATOM 993 CB ASP A 54 -0.874 -16.178 2.663 1.00 0.00 C ATOM 994 CG ASP A 54 -2.189 -16.626 3.304 1.00 0.00 C ATOM 995 OD1 ASP A 54 -2.405 -16.438 4.521 1.00 0.00 O ATOM 996 OD2 ASP A 54 -3.013 -17.225 2.576 1.00 0.00 O ATOM 0 H ASP A 54 -1.938 -14.010 2.325 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.182 -14.969 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.033 -16.036 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.139 -16.975 2.773 1.00 0.00 H new ATOM 1001 N LEU A 55 1.336 -13.516 2.010 1.00 0.00 N ATOM 1002 CA LEU A 55 2.627 -13.181 1.430 1.00 0.00 C ATOM 1003 C LEU A 55 3.605 -12.809 2.543 1.00 0.00 C ATOM 1004 O LEU A 55 3.250 -12.064 3.455 1.00 0.00 O ATOM 1005 CB LEU A 55 2.410 -11.997 0.481 1.00 0.00 C ATOM 1006 CG LEU A 55 3.664 -11.511 -0.264 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.176 -12.560 -1.260 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.305 -10.223 -1.009 1.00 0.00 C ATOM 0 H LEU A 55 0.618 -12.810 1.844 1.00 0.00 H new ATOM 0 HA LEU A 55 3.045 -14.026 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.656 -12.277 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.003 -11.164 1.054 1.00 0.00 H new ATOM 0 HG LEU A 55 4.460 -11.335 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.063 -12.179 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.429 -13.476 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.401 -12.771 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.180 -9.858 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.502 -10.424 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.977 -9.468 -0.294 1.00 0.00 H new ATOM 1020 N THR A 56 4.852 -13.258 2.464 1.00 0.00 N ATOM 1021 CA THR A 56 5.862 -12.941 3.468 1.00 0.00 C ATOM 1022 C THR A 56 6.398 -11.522 3.210 1.00 0.00 C ATOM 1023 O THR A 56 6.538 -11.110 2.054 1.00 0.00 O ATOM 1024 CB THR A 56 6.989 -13.978 3.378 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.477 -15.264 3.086 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.792 -14.084 4.672 1.00 0.00 C ATOM 0 H THR A 56 5.191 -13.850 1.706 1.00 0.00 H new ATOM 0 HA THR A 56 5.434 -12.973 4.470 1.00 0.00 H new ATOM 0 HB THR A 56 7.642 -13.632 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.959 -15.642 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.576 -14.832 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.243 -13.118 4.901 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.131 -14.378 5.487 1.00 0.00 H new ATOM 1034 N VAL A 57 6.755 -10.783 4.264 1.00 0.00 N ATOM 1035 CA VAL A 57 7.289 -9.422 4.169 1.00 0.00 C ATOM 1036 C VAL A 57 8.579 -9.433 3.326 1.00 0.00 C ATOM 1037 O VAL A 57 8.783 -8.541 2.499 1.00 0.00 O ATOM 1038 CB VAL A 57 7.472 -8.829 5.585 1.00 0.00 C ATOM 1039 CG1 VAL A 57 8.100 -7.431 5.537 1.00 0.00 C ATOM 1040 CG2 VAL A 57 6.145 -8.685 6.341 1.00 0.00 C ATOM 0 H VAL A 57 6.680 -11.120 5.224 1.00 0.00 H new ATOM 0 HA VAL A 57 6.587 -8.766 3.654 1.00 0.00 H new ATOM 0 HB VAL A 57 8.123 -9.535 6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.213 -7.048 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.078 -7.488 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.456 -6.762 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.333 -8.264 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.480 -8.024 5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.678 -9.664 6.447 1.00 0.00 H new ATOM 1050 N GLY A 58 9.430 -10.460 3.454 1.00 0.00 N ATOM 1051 CA GLY A 58 10.670 -10.578 2.686 1.00 0.00 C ATOM 1052 C GLY A 58 10.383 -10.586 1.184 1.00 0.00 C ATOM 1053 O GLY A 58 11.018 -9.850 0.422 1.00 0.00 O ATOM 0 H GLY A 58 9.273 -11.235 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.333 -9.748 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.190 -11.494 2.966 1.00 0.00 H new ATOM 1057 N GLN A 59 9.378 -11.356 0.758 1.00 0.00 N ATOM 1058 CA GLN A 59 8.983 -11.444 -0.645 1.00 0.00 C ATOM 1059 C GLN A 59 8.405 -10.110 -1.096 1.00 0.00 C ATOM 1060 O GLN A 59 8.815 -9.600 -2.134 1.00 0.00 O ATOM 1061 CB GLN A 59 7.942 -12.571 -0.829 1.00 0.00 C ATOM 1062 CG GLN A 59 8.602 -13.957 -0.805 1.00 0.00 C ATOM 1063 CD GLN A 59 7.814 -15.002 -0.019 1.00 0.00 C ATOM 1064 OE1 GLN A 59 8.291 -15.468 1.013 1.00 0.00 O ATOM 1065 NE2 GLN A 59 6.610 -15.346 -0.448 1.00 0.00 N ATOM 0 H GLN A 59 8.816 -11.936 1.380 1.00 0.00 H new ATOM 0 HA GLN A 59 9.857 -11.675 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.194 -12.509 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.418 -12.433 -1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.729 -14.306 -1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.599 -13.867 -0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.241 -14.942 -1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.052 -16.015 0.082 1.00 0.00 H new ATOM 1074 N PHE A 60 7.509 -9.506 -0.306 1.00 0.00 N ATOM 1075 CA PHE A 60 6.895 -8.244 -0.667 1.00 0.00 C ATOM 1076 C PHE A 60 7.933 -7.135 -0.864 1.00 0.00 C ATOM 1077 O PHE A 60 7.890 -6.448 -1.892 1.00 0.00 O ATOM 1078 CB PHE A 60 5.857 -7.852 0.389 1.00 0.00 C ATOM 1079 CG PHE A 60 5.149 -6.563 0.034 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.398 -6.462 -1.152 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.312 -5.432 0.849 1.00 0.00 C ATOM 1082 CE1 PHE A 60 3.870 -5.223 -1.551 1.00 0.00 C ATOM 1083 CE2 PHE A 60 4.755 -4.207 0.461 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.068 -4.089 -0.751 1.00 0.00 C ATOM 0 H PHE A 60 7.199 -9.882 0.590 1.00 0.00 H new ATOM 0 HA PHE A 60 6.393 -8.373 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.124 -8.652 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.347 -7.742 1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.227 -7.340 -1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.866 -5.506 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.312 -5.144 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.857 -3.345 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.691 -3.128 -1.070 1.00 0.00 H new ATOM 1094 N TYR A 61 8.892 -6.985 0.047 1.00 0.00 N ATOM 1095 CA TYR A 61 9.916 -5.949 -0.069 1.00 0.00 C ATOM 1096 C TYR A 61 10.763 -6.205 -1.315 1.00 0.00 C ATOM 1097 O TYR A 61 11.061 -5.261 -2.047 1.00 0.00 O ATOM 1098 CB TYR A 61 10.835 -5.911 1.159 1.00 0.00 C ATOM 1099 CG TYR A 61 10.335 -5.242 2.433 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.967 -5.145 2.749 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.281 -4.733 3.346 1.00 0.00 C ATOM 1102 CE1 TYR A 61 8.558 -4.524 3.941 1.00 0.00 C ATOM 1103 CE2 TYR A 61 10.875 -4.162 4.565 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.504 -4.046 4.869 1.00 0.00 C ATOM 1105 OH TYR A 61 9.104 -3.479 6.038 1.00 0.00 O ATOM 0 H TYR A 61 8.981 -7.571 0.877 1.00 0.00 H new ATOM 0 HA TYR A 61 9.406 -4.989 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.095 -6.940 1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.758 -5.411 0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.229 -5.550 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.333 -4.782 3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.504 -4.412 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.615 -3.812 5.269 1.00 0.00 H new ATOM 0 HH TYR A 61 9.890 -3.208 6.556 1.00 0.00 H new ATOM 1115 N PHE A 62 11.156 -7.459 -1.574 1.00 0.00 N ATOM 1116 CA PHE A 62 11.962 -7.809 -2.743 1.00 0.00 C ATOM 1117 C PHE A 62 11.226 -7.458 -4.033 1.00 0.00 C ATOM 1118 O PHE A 62 11.858 -7.000 -4.988 1.00 0.00 O ATOM 1119 CB PHE A 62 12.372 -9.291 -2.710 1.00 0.00 C ATOM 1120 CG PHE A 62 13.743 -9.487 -2.093 1.00 0.00 C ATOM 1121 CD1 PHE A 62 13.981 -9.069 -0.771 1.00 0.00 C ATOM 1122 CD2 PHE A 62 14.807 -10.010 -2.856 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.271 -9.146 -0.230 1.00 0.00 C ATOM 1124 CE2 PHE A 62 16.102 -10.076 -2.312 1.00 0.00 C ATOM 1125 CZ PHE A 62 16.338 -9.630 -1.002 1.00 0.00 C ATOM 0 H PHE A 62 10.923 -8.254 -0.979 1.00 0.00 H new ATOM 0 HA PHE A 62 12.878 -7.219 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.635 -9.859 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.370 -9.690 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.167 -8.688 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.627 -10.361 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.445 -8.831 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.916 -10.470 -2.903 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.336 -9.659 -0.590 1.00 0.00 H new ATOM 1135 N LEU A 63 9.909 -7.673 -4.078 1.00 0.00 N ATOM 1136 CA LEU A 63 9.100 -7.362 -5.246 1.00 0.00 C ATOM 1137 C LEU A 63 9.129 -5.851 -5.486 1.00 0.00 C ATOM 1138 O LEU A 63 9.444 -5.430 -6.599 1.00 0.00 O ATOM 1139 CB LEU A 63 7.663 -7.900 -5.083 1.00 0.00 C ATOM 1140 CG LEU A 63 7.390 -9.279 -5.721 1.00 0.00 C ATOM 1141 CD1 LEU A 63 7.648 -9.256 -7.222 1.00 0.00 C ATOM 1142 CD2 LEU A 63 8.175 -10.436 -5.101 1.00 0.00 C ATOM 0 H LEU A 63 9.378 -8.068 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 63 9.516 -7.858 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.436 -7.961 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.972 -7.176 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 63 6.336 -9.465 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.447 -10.242 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.994 -8.521 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.688 -8.988 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.920 -11.364 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.244 -10.247 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.922 -10.522 -4.044 1.00 0.00 H new ATOM 1154 N ILE A 64 8.869 -5.036 -4.455 1.00 0.00 N ATOM 1155 CA ILE A 64 8.879 -3.576 -4.578 1.00 0.00 C ATOM 1156 C ILE A 64 10.276 -3.107 -5.007 1.00 0.00 C ATOM 1157 O ILE A 64 10.384 -2.368 -5.985 1.00 0.00 O ATOM 1158 CB ILE A 64 8.432 -2.893 -3.262 1.00 0.00 C ATOM 1159 CG1 ILE A 64 6.987 -3.243 -2.841 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.588 -1.359 -3.347 1.00 0.00 C ATOM 1161 CD1 ILE A 64 5.883 -2.614 -3.701 1.00 0.00 C ATOM 0 H ILE A 64 8.647 -5.370 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 64 8.160 -3.284 -5.343 1.00 0.00 H new ATOM 0 HB ILE A 64 9.095 -3.289 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.871 -4.327 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.842 -2.931 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.266 -0.908 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.633 -1.109 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.975 -0.976 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.908 -2.921 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.963 -1.528 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.993 -2.945 -4.734 1.00 0.00 H new ATOM 1173 N ARG A 65 11.340 -3.559 -4.328 1.00 0.00 N ATOM 1174 CA ARG A 65 12.737 -3.200 -4.611 1.00 0.00 C ATOM 1175 C ARG A 65 13.041 -3.371 -6.096 1.00 0.00 C ATOM 1176 O ARG A 65 13.587 -2.471 -6.738 1.00 0.00 O ATOM 1177 CB ARG A 65 13.660 -4.097 -3.764 1.00 0.00 C ATOM 1178 CG ARG A 65 15.160 -3.787 -3.923 1.00 0.00 C ATOM 1179 CD ARG A 65 16.038 -4.973 -3.507 1.00 0.00 C ATOM 1180 NE ARG A 65 15.891 -5.336 -2.087 1.00 0.00 N ATOM 1181 CZ ARG A 65 16.823 -5.907 -1.310 1.00 0.00 C ATOM 1182 NH1 ARG A 65 18.057 -6.137 -1.736 1.00 0.00 N ATOM 1183 NH2 ARG A 65 16.496 -6.261 -0.080 1.00 0.00 N ATOM 0 H ARG A 65 11.249 -4.204 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 65 12.906 -2.155 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.388 -3.991 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.485 -5.138 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.369 -3.528 -4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.416 -2.916 -3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 65 15.787 -5.836 -4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.082 -4.731 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 65 14.991 -5.133 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.326 -5.877 -2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.738 -6.574 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.549 -6.099 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.190 -6.697 0.527 1.00 0.00 H new ATOM 1197 N LYS A 66 12.679 -4.534 -6.632 1.00 0.00 N ATOM 1198 CA LYS A 66 12.885 -4.871 -8.024 1.00 0.00 C ATOM 1199 C LYS A 66 12.070 -3.958 -8.936 1.00 0.00 C ATOM 1200 O LYS A 66 12.615 -3.483 -9.934 1.00 0.00 O ATOM 1201 CB LYS A 66 12.528 -6.348 -8.202 1.00 0.00 C ATOM 1202 CG LYS A 66 12.674 -6.794 -9.652 1.00 0.00 C ATOM 1203 CD LYS A 66 12.246 -8.248 -9.804 1.00 0.00 C ATOM 1204 CE LYS A 66 12.174 -8.511 -11.301 1.00 0.00 C ATOM 1205 NZ LYS A 66 11.598 -9.825 -11.607 1.00 0.00 N ATOM 0 H LYS A 66 12.228 -5.275 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 66 13.926 -4.717 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.172 -6.957 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.503 -6.517 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.066 -6.160 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.709 -6.677 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.961 -8.917 -9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.280 -8.422 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.575 -7.734 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.175 -8.447 -11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.569 -9.960 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.183 -10.569 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.633 -9.879 -11.224 1.00 0.00 H new ATOM 1219 N ARG A 67 10.798 -3.700 -8.615 1.00 0.00 N ATOM 1220 CA ARG A 67 9.918 -2.849 -9.418 1.00 0.00 C ATOM 1221 C ARG A 67 10.463 -1.426 -9.495 1.00 0.00 C ATOM 1222 O ARG A 67 10.393 -0.826 -10.562 1.00 0.00 O ATOM 1223 CB ARG A 67 8.483 -2.887 -8.850 1.00 0.00 C ATOM 1224 CG ARG A 67 7.373 -2.974 -9.912 1.00 0.00 C ATOM 1225 CD ARG A 67 7.167 -1.707 -10.755 1.00 0.00 C ATOM 1226 NE ARG A 67 7.982 -1.686 -11.980 1.00 0.00 N ATOM 1227 CZ ARG A 67 7.661 -2.232 -13.162 1.00 0.00 C ATOM 1228 NH1 ARG A 67 6.591 -3.018 -13.272 1.00 0.00 N ATOM 1229 NH2 ARG A 67 8.416 -1.963 -14.220 1.00 0.00 N ATOM 0 H ARG A 67 10.348 -4.080 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 67 9.884 -3.234 -10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.394 -3.743 -8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.321 -1.993 -8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.599 -3.803 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.434 -3.215 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.114 -1.626 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.409 -0.833 -10.150 1.00 0.00 H new ATOM 0 HE ARG A 67 8.881 -1.208 -11.925 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.011 -3.207 -12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.352 -3.431 -14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.226 -1.350 -14.126 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.187 -2.370 -15.127 1.00 0.00 H new ATOM 1243 N ILE A 68 11.021 -0.892 -8.403 1.00 0.00 N ATOM 1244 CA ILE A 68 11.592 0.460 -8.367 1.00 0.00 C ATOM 1245 C ILE A 68 13.057 0.464 -8.859 1.00 0.00 C ATOM 1246 O ILE A 68 13.701 1.510 -8.880 1.00 0.00 O ATOM 1247 CB ILE A 68 11.367 1.140 -6.993 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.273 0.579 -5.883 1.00 0.00 C ATOM 1249 CG2 ILE A 68 9.879 1.060 -6.596 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.152 1.321 -4.544 1.00 0.00 C ATOM 0 H ILE A 68 11.090 -1.388 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 68 11.052 1.086 -9.077 1.00 0.00 H new ATOM 0 HB ILE A 68 11.650 2.187 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.031 -0.472 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.309 0.621 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.734 1.541 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.274 1.567 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.576 0.015 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.821 0.866 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.423 2.368 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.125 1.257 -4.184 1.00 0.00 H new ATOM 1262 N HIS A 69 13.583 -0.693 -9.280 1.00 0.00 N ATOM 1263 CA HIS A 69 14.921 -0.932 -9.813 1.00 0.00 C ATOM 1264 C HIS A 69 16.092 -0.431 -8.957 1.00 0.00 C ATOM 1265 O HIS A 69 17.037 0.133 -9.512 1.00 0.00 O ATOM 1266 CB HIS A 69 15.003 -0.381 -11.248 1.00 0.00 C ATOM 1267 CG HIS A 69 13.901 -0.841 -12.160 1.00 0.00 C ATOM 1268 ND1 HIS A 69 13.866 -2.030 -12.846 1.00 0.00 N ATOM 1269 CD2 HIS A 69 12.771 -0.139 -12.472 1.00 0.00 C ATOM 1270 CE1 HIS A 69 12.721 -2.059 -13.543 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.025 -0.921 -13.365 1.00 0.00 N ATOM 0 H HIS A 69 13.035 -1.553 -9.252 1.00 0.00 H new ATOM 0 HA HIS A 69 15.049 -2.014 -9.801 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.991 0.708 -11.206 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.960 -0.673 -11.681 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.502 0.838 -12.099 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.401 -2.883 -14.163 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.133 -0.676 -13.794 1.00 0.00 H new ATOM 1279 N LEU A 70 16.092 -0.623 -7.634 1.00 0.00 N ATOM 1280 CA LEU A 70 17.234 -0.145 -6.838 1.00 0.00 C ATOM 1281 C LEU A 70 18.528 -0.878 -7.202 1.00 0.00 C ATOM 1282 O LEU A 70 18.517 -1.986 -7.754 1.00 0.00 O ATOM 1283 CB LEU A 70 17.040 -0.288 -5.328 1.00 0.00 C ATOM 1284 CG LEU A 70 15.855 0.462 -4.714 1.00 0.00 C ATOM 1285 CD1 LEU A 70 15.984 0.380 -3.196 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.783 1.934 -5.139 1.00 0.00 C ATOM 0 H LEU A 70 15.351 -1.085 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 70 17.302 0.915 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.928 -1.348 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 70 17.951 0.051 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 70 14.939 -0.008 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.151 0.907 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.971 -0.665 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.923 0.839 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.921 2.407 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.693 2.447 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.684 1.995 -6.223 1.00 0.00 H new ATOM 1298 N ARG A 71 19.654 -0.222 -6.939 1.00 0.00 N ATOM 1299 CA ARG A 71 21.015 -0.716 -7.167 1.00 0.00 C ATOM 1300 C ARG A 71 21.375 -1.611 -5.966 1.00 0.00 C ATOM 1301 O ARG A 71 20.699 -1.541 -4.936 1.00 0.00 O ATOM 1302 CB ARG A 71 21.961 0.494 -7.312 1.00 0.00 C ATOM 1303 CG ARG A 71 21.616 1.385 -8.528 1.00 0.00 C ATOM 1304 CD ARG A 71 22.022 2.851 -8.340 1.00 0.00 C ATOM 1305 NE ARG A 71 23.475 3.045 -8.229 1.00 0.00 N ATOM 1306 CZ ARG A 71 24.075 4.226 -8.029 1.00 0.00 C ATOM 1307 NH1 ARG A 71 23.378 5.355 -8.045 1.00 0.00 N ATOM 1308 NH2 ARG A 71 25.377 4.271 -7.801 1.00 0.00 N ATOM 0 H ARG A 71 19.645 0.717 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 71 21.104 -1.303 -8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.916 1.095 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 71 22.987 0.138 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.113 0.988 -9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.543 1.333 -8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.648 3.434 -9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.541 3.241 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 71 24.070 2.220 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.372 5.331 -8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.848 6.247 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.921 3.408 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.837 5.168 -7.648 1.00 0.00 H new ATOM 1322 N PRO A 72 22.432 -2.440 -6.025 1.00 0.00 N ATOM 1323 CA PRO A 72 22.772 -3.309 -4.905 1.00 0.00 C ATOM 1324 C PRO A 72 23.326 -2.542 -3.705 1.00 0.00 C ATOM 1325 O PRO A 72 23.198 -3.019 -2.579 1.00 0.00 O ATOM 1326 CB PRO A 72 23.778 -4.322 -5.450 1.00 0.00 C ATOM 1327 CG PRO A 72 24.446 -3.575 -6.599 1.00 0.00 C ATOM 1328 CD PRO A 72 23.342 -2.658 -7.136 1.00 0.00 C ATOM 0 HA PRO A 72 21.879 -3.802 -4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.501 -4.619 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.286 -5.231 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.308 -3.003 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.804 -4.261 -7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 72 23.756 -1.715 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 72 22.827 -3.119 -7.979 1.00 0.00 H new ATOM 1336 N GLU A 73 23.954 -1.385 -3.916 1.00 0.00 N ATOM 1337 CA GLU A 73 24.504 -0.585 -2.826 1.00 0.00 C ATOM 1338 C GLU A 73 23.427 0.311 -2.194 1.00 0.00 C ATOM 1339 O GLU A 73 23.636 0.808 -1.086 1.00 0.00 O ATOM 1340 CB GLU A 73 25.691 0.257 -3.322 1.00 0.00 C ATOM 1341 CG GLU A 73 26.756 -0.593 -4.037 1.00 0.00 C ATOM 1342 CD GLU A 73 27.995 0.187 -4.480 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.907 1.410 -4.737 1.00 0.00 O ATOM 1344 OE2 GLU A 73 29.043 -0.465 -4.687 1.00 0.00 O ATOM 0 H GLU A 73 24.094 -0.980 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 73 24.862 -1.267 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.327 1.027 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 73 26.148 0.770 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.067 -1.398 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.303 -1.060 -4.912 1.00 0.00 H new ATOM 1351 N ASP A 74 22.280 0.513 -2.855 1.00 0.00 N ATOM 1352 CA ASP A 74 21.195 1.366 -2.355 1.00 0.00 C ATOM 1353 C ASP A 74 20.610 0.754 -1.086 1.00 0.00 C ATOM 1354 O ASP A 74 20.706 -0.461 -0.868 1.00 0.00 O ATOM 1355 CB ASP A 74 20.052 1.497 -3.383 1.00 0.00 C ATOM 1356 CG ASP A 74 20.354 2.340 -4.623 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.375 3.058 -4.640 1.00 0.00 O ATOM 1358 OD2 ASP A 74 19.565 2.259 -5.596 1.00 0.00 O ATOM 0 H ASP A 74 22.078 0.086 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 74 21.618 2.352 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.768 0.497 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.186 1.926 -2.880 1.00 0.00 H new ATOM 1363 N ALA A 75 19.990 1.577 -0.244 1.00 0.00 N ATOM 1364 CA ALA A 75 19.380 1.140 0.999 1.00 0.00 C ATOM 1365 C ALA A 75 17.869 1.256 0.863 1.00 0.00 C ATOM 1366 O ALA A 75 17.343 2.330 0.585 1.00 0.00 O ATOM 1367 CB ALA A 75 19.921 1.975 2.156 1.00 0.00 C ATOM 0 H ALA A 75 19.899 2.579 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 75 19.626 0.099 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.462 1.646 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.002 1.851 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.686 3.026 1.987 1.00 0.00 H new ATOM 1373 N LEU A 76 17.169 0.136 1.000 1.00 0.00 N ATOM 1374 CA LEU A 76 15.719 0.079 0.910 1.00 0.00 C ATOM 1375 C LEU A 76 15.185 0.176 2.343 1.00 0.00 C ATOM 1376 O LEU A 76 15.524 -0.683 3.163 1.00 0.00 O ATOM 1377 CB LEU A 76 15.392 -1.286 0.281 1.00 0.00 C ATOM 1378 CG LEU A 76 13.906 -1.583 0.011 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.449 -1.119 -1.375 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.749 -3.112 0.055 1.00 0.00 C ATOM 0 H LEU A 76 17.601 -0.770 1.179 1.00 0.00 H new ATOM 0 HA LEU A 76 15.276 0.876 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.932 -1.364 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.781 -2.065 0.936 1.00 0.00 H new ATOM 0 HG LEU A 76 13.308 -1.055 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.393 -1.355 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.594 -0.042 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.034 -1.629 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.708 -3.376 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.381 -3.565 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.047 -3.480 1.037 1.00 0.00 H new ATOM 1392 N PHE A 77 14.338 1.153 2.657 1.00 0.00 N ATOM 1393 CA PHE A 77 13.742 1.348 3.978 1.00 0.00 C ATOM 1394 C PHE A 77 12.238 1.514 3.806 1.00 0.00 C ATOM 1395 O PHE A 77 11.791 2.083 2.806 1.00 0.00 O ATOM 1396 CB PHE A 77 14.344 2.566 4.687 1.00 0.00 C ATOM 1397 CG PHE A 77 15.796 2.410 5.089 1.00 0.00 C ATOM 1398 CD1 PHE A 77 16.163 1.463 6.066 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.781 3.223 4.502 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.507 1.340 6.461 1.00 0.00 C ATOM 1401 CE2 PHE A 77 18.119 3.116 4.916 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.485 2.176 5.895 1.00 0.00 C ATOM 0 H PHE A 77 14.038 1.853 1.979 1.00 0.00 H new ATOM 0 HA PHE A 77 13.953 0.480 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.254 3.432 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.755 2.778 5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.410 0.830 6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.509 3.930 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.788 0.603 7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.870 3.759 4.480 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.515 2.096 6.211 1.00 0.00 H new ATOM 1412 N PHE A 78 11.463 0.974 4.748 1.00 0.00 N ATOM 1413 CA PHE A 78 10.010 1.022 4.747 1.00 0.00 C ATOM 1414 C PHE A 78 9.431 1.258 6.142 1.00 0.00 C ATOM 1415 O PHE A 78 9.983 0.751 7.119 1.00 0.00 O ATOM 1416 CB PHE A 78 9.487 -0.330 4.257 1.00 0.00 C ATOM 1417 CG PHE A 78 9.647 -0.629 2.785 1.00 0.00 C ATOM 1418 CD1 PHE A 78 8.803 -0.031 1.830 1.00 0.00 C ATOM 1419 CD2 PHE A 78 10.564 -1.610 2.381 1.00 0.00 C ATOM 1420 CE1 PHE A 78 8.876 -0.426 0.481 1.00 0.00 C ATOM 1421 CE2 PHE A 78 10.592 -2.038 1.049 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.773 -1.431 0.090 1.00 0.00 C ATOM 0 H PHE A 78 11.845 0.478 5.553 1.00 0.00 H new ATOM 0 HA PHE A 78 9.708 1.849 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.993 -1.114 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.427 -0.394 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.100 0.731 2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.250 -2.036 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.240 0.045 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.251 -2.843 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 78 9.831 -1.735 -0.945 1.00 0.00 H new ATOM 1432 N PHE A 79 8.270 1.917 6.209 1.00 0.00 N ATOM 1433 CA PHE A 79 7.518 2.222 7.428 1.00 0.00 C ATOM 1434 C PHE A 79 6.035 1.947 7.153 1.00 0.00 C ATOM 1435 O PHE A 79 5.579 2.117 6.017 1.00 0.00 O ATOM 1436 CB PHE A 79 7.677 3.700 7.819 1.00 0.00 C ATOM 1437 CG PHE A 79 9.082 4.262 7.963 1.00 0.00 C ATOM 1438 CD1 PHE A 79 10.093 3.537 8.619 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.357 5.565 7.509 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.356 4.111 8.840 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.610 6.153 7.755 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.610 5.428 8.426 1.00 0.00 C ATOM 0 H PHE A 79 7.807 2.270 5.371 1.00 0.00 H new ATOM 0 HA PHE A 79 7.895 1.604 8.243 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.155 4.299 7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.160 3.850 8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.897 2.530 8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.602 6.116 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.131 3.539 9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.805 7.164 7.428 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.570 5.882 8.622 1.00 0.00 H new ATOM 1452 N VAL A 80 5.262 1.507 8.143 1.00 0.00 N ATOM 1453 CA VAL A 80 3.832 1.227 8.014 1.00 0.00 C ATOM 1454 C VAL A 80 3.184 1.653 9.322 1.00 0.00 C ATOM 1455 O VAL A 80 3.647 1.252 10.385 1.00 0.00 O ATOM 1456 CB VAL A 80 3.563 -0.253 7.650 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.440 -1.262 8.394 1.00 0.00 C ATOM 1458 CG2 VAL A 80 2.101 -0.679 7.856 1.00 0.00 C ATOM 0 H VAL A 80 5.621 1.330 9.081 1.00 0.00 H new ATOM 0 HA VAL A 80 3.395 1.788 7.188 1.00 0.00 H new ATOM 0 HB VAL A 80 3.816 -0.277 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.182 -2.272 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.489 -1.068 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.275 -1.166 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.985 -1.727 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.827 -0.546 8.903 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.452 -0.066 7.230 1.00 0.00 H new ATOM 1468 N ASN A 81 2.150 2.494 9.250 1.00 0.00 N ATOM 1469 CA ASN A 81 1.392 3.012 10.393 1.00 0.00 C ATOM 1470 C ASN A 81 2.260 3.632 11.507 1.00 0.00 C ATOM 1471 O ASN A 81 1.772 3.794 12.626 1.00 0.00 O ATOM 1472 CB ASN A 81 0.459 1.900 10.926 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.946 2.404 11.239 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -1.577 3.021 10.385 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.498 2.097 12.400 1.00 0.00 N ATOM 0 H ASN A 81 1.803 2.847 8.358 1.00 0.00 H new ATOM 0 HA ASN A 81 0.796 3.851 10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.397 1.100 10.188 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.894 1.469 11.828 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.460 2.373 12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.962 1.584 13.100 1.00 0.00 H new ATOM 1482 N ASN A 82 3.519 4.005 11.221 1.00 0.00 N ATOM 1483 CA ASN A 82 4.554 4.602 12.090 1.00 0.00 C ATOM 1484 C ASN A 82 5.385 3.532 12.823 1.00 0.00 C ATOM 1485 O ASN A 82 6.057 3.834 13.813 1.00 0.00 O ATOM 1486 CB ASN A 82 4.041 5.697 13.050 1.00 0.00 C ATOM 1487 CG ASN A 82 3.298 6.824 12.346 1.00 0.00 C ATOM 1488 OD1 ASN A 82 3.876 7.820 11.915 1.00 0.00 O ATOM 1489 ND2 ASN A 82 1.992 6.684 12.221 1.00 0.00 N ATOM 0 H ASN A 82 3.877 3.883 10.274 1.00 0.00 H new ATOM 0 HA ASN A 82 5.219 5.127 11.404 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.380 5.242 13.787 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.887 6.116 13.596 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.443 7.410 11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.531 5.850 12.585 1.00 0.00 H new ATOM 1496 N THR A 83 5.394 2.293 12.331 1.00 0.00 N ATOM 1497 CA THR A 83 6.103 1.154 12.901 1.00 0.00 C ATOM 1498 C THR A 83 6.899 0.408 11.818 1.00 0.00 C ATOM 1499 O THR A 83 6.609 0.497 10.619 1.00 0.00 O ATOM 1500 CB THR A 83 5.078 0.270 13.641 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.406 1.051 14.614 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.730 -0.917 14.361 1.00 0.00 C ATOM 0 H THR A 83 4.882 2.048 11.484 1.00 0.00 H new ATOM 0 HA THR A 83 6.848 1.480 13.626 1.00 0.00 H new ATOM 0 HB THR A 83 4.393 -0.120 12.888 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.752 0.494 15.086 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.962 -1.504 14.864 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.248 -1.543 13.635 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.445 -0.548 15.097 1.00 0.00 H new ATOM 1510 N ILE A 84 7.960 -0.279 12.252 1.00 0.00 N ATOM 1511 CA ILE A 84 8.878 -1.079 11.454 1.00 0.00 C ATOM 1512 C ILE A 84 8.582 -2.549 11.812 1.00 0.00 C ATOM 1513 O ILE A 84 9.078 -3.032 12.837 1.00 0.00 O ATOM 1514 CB ILE A 84 10.335 -0.636 11.745 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.462 0.882 11.477 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.332 -1.439 10.890 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.856 1.488 11.648 1.00 0.00 C ATOM 0 H ILE A 84 8.213 -0.288 13.240 1.00 0.00 H new ATOM 0 HA ILE A 84 8.748 -0.948 10.380 1.00 0.00 H new ATOM 0 HB ILE A 84 10.574 -0.834 12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.127 1.078 10.459 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.778 1.405 12.145 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.348 -1.111 11.111 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.235 -2.500 11.119 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.120 -1.275 9.833 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.817 2.556 11.433 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.196 1.336 12.673 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.550 1.004 10.960 1.00 0.00 H new ATOM 1529 N PRO A 85 7.751 -3.271 11.038 1.00 0.00 N ATOM 1530 CA PRO A 85 7.418 -4.662 11.321 1.00 0.00 C ATOM 1531 C PRO A 85 8.586 -5.589 10.956 1.00 0.00 C ATOM 1532 O PRO A 85 9.411 -5.238 10.103 1.00 0.00 O ATOM 1533 CB PRO A 85 6.205 -4.975 10.441 1.00 0.00 C ATOM 1534 CG PRO A 85 6.454 -4.098 9.218 1.00 0.00 C ATOM 1535 CD PRO A 85 7.087 -2.840 9.819 1.00 0.00 C ATOM 0 HA PRO A 85 7.211 -4.815 12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.154 -6.032 10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.267 -4.724 10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.119 -4.582 8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.528 -3.871 8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.798 -2.391 9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.330 -2.086 10.033 1.00 0.00 H new ATOM 1543 N PRO A 86 8.650 -6.797 11.533 1.00 0.00 N ATOM 1544 CA PRO A 86 9.709 -7.741 11.238 1.00 0.00 C ATOM 1545 C PRO A 86 9.581 -8.289 9.816 1.00 0.00 C ATOM 1546 O PRO A 86 8.551 -8.836 9.420 1.00 0.00 O ATOM 1547 CB PRO A 86 9.613 -8.822 12.312 1.00 0.00 C ATOM 1548 CG PRO A 86 8.150 -8.778 12.747 1.00 0.00 C ATOM 1549 CD PRO A 86 7.751 -7.320 12.549 1.00 0.00 C ATOM 0 HA PRO A 86 10.694 -7.275 11.264 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.883 -9.802 11.918 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.284 -8.617 13.146 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.534 -9.446 12.145 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.033 -9.087 13.786 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.712 -7.239 12.231 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.844 -6.759 13.479 1.00 0.00 H new ATOM 1557 N THR A 87 10.668 -8.181 9.056 1.00 0.00 N ATOM 1558 CA THR A 87 10.802 -8.617 7.668 1.00 0.00 C ATOM 1559 C THR A 87 10.542 -10.115 7.437 1.00 0.00 C ATOM 1560 O THR A 87 10.360 -10.553 6.300 1.00 0.00 O ATOM 1561 CB THR A 87 12.139 -8.080 7.121 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.205 -8.228 8.051 1.00 0.00 O ATOM 1563 CG2 THR A 87 11.993 -6.573 6.871 1.00 0.00 C ATOM 0 H THR A 87 11.528 -7.763 9.412 1.00 0.00 H new ATOM 0 HA THR A 87 9.996 -8.182 7.077 1.00 0.00 H new ATOM 0 HB THR A 87 12.367 -8.646 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.032 -7.876 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.931 -6.176 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.198 -6.400 6.145 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.746 -6.071 7.807 1.00 0.00 H new ATOM 1571 N SER A 88 10.511 -10.910 8.500 1.00 0.00 N ATOM 1572 CA SER A 88 10.267 -12.341 8.505 1.00 0.00 C ATOM 1573 C SER A 88 8.768 -12.698 8.564 1.00 0.00 C ATOM 1574 O SER A 88 8.422 -13.829 8.205 1.00 0.00 O ATOM 1575 CB SER A 88 11.004 -12.931 9.726 1.00 0.00 C ATOM 1576 OG SER A 88 11.262 -11.940 10.715 1.00 0.00 O ATOM 0 H SER A 88 10.666 -10.545 9.440 1.00 0.00 H new ATOM 0 HA SER A 88 10.637 -12.762 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.405 -13.731 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.945 -13.376 9.403 1.00 0.00 H new ATOM 0 HG SER A 88 11.728 -12.349 11.474 1.00 0.00 H new ATOM 1582 N ALA A 89 7.892 -11.793 9.028 1.00 0.00 N ATOM 1583 CA ALA A 89 6.443 -11.996 9.166 1.00 0.00 C ATOM 1584 C ALA A 89 5.700 -12.006 7.818 1.00 0.00 C ATOM 1585 O ALA A 89 6.326 -12.075 6.758 1.00 0.00 O ATOM 1586 CB ALA A 89 5.888 -10.928 10.120 1.00 0.00 C ATOM 0 H ALA A 89 8.186 -10.864 9.329 1.00 0.00 H new ATOM 0 HA ALA A 89 6.273 -12.988 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.813 -11.065 10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.370 -11.023 11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.087 -9.937 9.712 1.00 0.00 H new ATOM 1592 N THR A 90 4.364 -11.955 7.850 1.00 0.00 N ATOM 1593 CA THR A 90 3.488 -11.951 6.683 1.00 0.00 C ATOM 1594 C THR A 90 2.709 -10.634 6.587 1.00 0.00 C ATOM 1595 O THR A 90 2.553 -9.894 7.563 1.00 0.00 O ATOM 1596 CB THR A 90 2.532 -13.162 6.733 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.892 -13.213 7.994 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.274 -14.482 6.503 1.00 0.00 C ATOM 0 H THR A 90 3.846 -11.914 8.728 1.00 0.00 H new ATOM 0 HA THR A 90 4.102 -12.035 5.786 1.00 0.00 H new ATOM 0 HB THR A 90 1.799 -13.034 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.285 -13.982 8.022 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.566 -15.310 6.546 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.753 -14.464 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.032 -14.613 7.275 1.00 0.00 H new ATOM 1606 N MET A 91 2.192 -10.358 5.390 1.00 0.00 N ATOM 1607 CA MET A 91 1.408 -9.177 5.063 1.00 0.00 C ATOM 1608 C MET A 91 0.085 -9.150 5.834 1.00 0.00 C ATOM 1609 O MET A 91 -0.466 -8.080 6.095 1.00 0.00 O ATOM 1610 CB MET A 91 1.117 -9.173 3.555 1.00 0.00 C ATOM 1611 CG MET A 91 2.353 -8.972 2.669 1.00 0.00 C ATOM 1612 SD MET A 91 3.412 -7.554 3.049 1.00 0.00 S ATOM 1613 CE MET A 91 2.335 -6.170 2.590 1.00 0.00 C ATOM 0 H MET A 91 2.316 -10.980 4.591 1.00 0.00 H new ATOM 0 HA MET A 91 1.982 -8.294 5.346 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.643 -10.117 3.287 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.398 -8.383 3.339 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.961 -9.875 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.018 -8.878 1.636 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.855 -5.229 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.076 -6.245 1.534 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.425 -6.203 3.190 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.422 -10.325 6.196 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.649 -10.527 6.925 1.00 0.00 C ATOM 1625 C GLY A 92 -1.484 -10.083 8.360 1.00 0.00 C ATOM 1626 O GLY A 92 -2.373 -9.399 8.856 1.00 0.00 O ATOM 0 H GLY A 92 0.045 -11.203 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.457 -9.966 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.930 -11.580 6.893 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.367 -10.424 9.013 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.153 -10.038 10.398 1.00 0.00 C ATOM 1632 C GLN A 93 -0.064 -8.523 10.520 1.00 0.00 C ATOM 1633 O GLN A 93 -0.711 -7.965 11.404 1.00 0.00 O ATOM 1634 CB GLN A 93 1.094 -10.708 11.000 1.00 0.00 C ATOM 1635 CG GLN A 93 1.336 -10.303 12.471 1.00 0.00 C ATOM 1636 CD GLN A 93 0.201 -10.692 13.429 1.00 0.00 C ATOM 1637 OE1 GLN A 93 0.318 -11.672 14.166 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -0.894 -9.950 13.467 1.00 0.00 N ATOM 0 H GLN A 93 0.394 -10.963 8.601 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.012 -10.388 10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.985 -11.791 10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.968 -10.441 10.405 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.261 -10.766 12.815 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.482 -9.224 12.519 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.983 -9.140 12.853 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.649 -10.188 14.110 1.00 0.00 H new ATOM 1647 N LEU A 94 0.727 -7.860 9.669 1.00 0.00 N ATOM 1648 CA LEU A 94 0.838 -6.409 9.756 1.00 0.00 C ATOM 1649 C LEU A 94 -0.501 -5.747 9.435 1.00 0.00 C ATOM 1650 O LEU A 94 -0.868 -4.792 10.111 1.00 0.00 O ATOM 1651 CB LEU A 94 2.043 -5.857 8.978 1.00 0.00 C ATOM 1652 CG LEU A 94 2.030 -6.099 7.460 1.00 0.00 C ATOM 1653 CD1 LEU A 94 1.392 -4.945 6.680 1.00 0.00 C ATOM 1654 CD2 LEU A 94 3.460 -6.304 6.962 1.00 0.00 C ATOM 0 H LEU A 94 1.284 -8.295 8.933 1.00 0.00 H new ATOM 0 HA LEU A 94 1.062 -6.139 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.104 -4.783 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.950 -6.300 9.389 1.00 0.00 H new ATOM 0 HG LEU A 94 1.425 -6.989 7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.411 -5.172 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.360 -4.813 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.951 -4.028 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.449 -6.475 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.053 -5.416 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.899 -7.167 7.463 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.252 -6.254 8.448 1.00 0.00 N ATOM 1667 CA TYR A 95 -2.555 -5.682 8.126 1.00 0.00 C ATOM 1668 C TYR A 95 -3.487 -5.853 9.329 1.00 0.00 C ATOM 1669 O TYR A 95 -4.228 -4.938 9.658 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.167 -6.353 6.892 1.00 0.00 C ATOM 1671 CG TYR A 95 -4.651 -6.059 6.724 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.083 -4.897 6.055 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.600 -6.922 7.310 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.458 -4.616 5.934 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -6.970 -6.639 7.212 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.407 -5.497 6.500 1.00 0.00 C ATOM 1677 OH TYR A 95 -8.739 -5.303 6.299 1.00 0.00 O ATOM 0 H TYR A 95 -0.980 -7.048 7.869 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.426 -4.624 7.900 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.634 -6.018 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.023 -7.431 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.357 -4.218 5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.270 -7.805 7.837 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.786 -3.730 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.691 -7.293 7.680 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.245 -6.004 6.760 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.462 -7.022 9.969 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.286 -7.352 11.118 1.00 0.00 C ATOM 1689 C GLU A 96 -3.965 -6.445 12.309 1.00 0.00 C ATOM 1690 O GLU A 96 -4.883 -6.002 12.996 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.048 -8.834 11.455 1.00 0.00 C ATOM 1692 CG GLU A 96 -4.755 -9.327 12.719 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.201 -10.673 13.176 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.374 -11.675 12.445 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -3.631 -10.724 14.293 1.00 0.00 O ATOM 0 H GLU A 96 -2.846 -7.785 9.688 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.339 -7.190 10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.377 -9.441 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.976 -8.999 11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.634 -8.593 13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.824 -9.418 12.528 1.00 0.00 H new ATOM 1702 N ASP A 97 -2.681 -6.199 12.561 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.174 -5.373 13.655 1.00 0.00 C ATOM 1704 C ASP A 97 -2.484 -3.892 13.436 1.00 0.00 C ATOM 1705 O ASP A 97 -2.940 -3.207 14.347 1.00 0.00 O ATOM 1706 CB ASP A 97 -0.659 -5.610 13.731 1.00 0.00 C ATOM 1707 CG ASP A 97 0.076 -4.717 14.730 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -0.219 -4.794 15.945 1.00 0.00 O ATOM 1709 OD2 ASP A 97 1.056 -4.055 14.309 1.00 0.00 O ATOM 0 H ASP A 97 -1.934 -6.586 11.984 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.660 -5.650 14.591 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.481 -6.652 13.996 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.230 -5.455 12.741 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.314 -3.402 12.208 1.00 0.00 N ATOM 1715 CA ASN A 98 -2.543 -2.010 11.807 1.00 0.00 C ATOM 1716 C ASN A 98 -3.954 -1.745 11.279 1.00 0.00 C ATOM 1717 O ASN A 98 -4.216 -0.631 10.825 1.00 0.00 O ATOM 1718 CB ASN A 98 -1.493 -1.566 10.777 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.070 -1.650 11.305 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.800 -2.245 10.676 1.00 0.00 O ATOM 1721 ND2 ASN A 98 0.211 -1.096 12.472 1.00 0.00 N ATOM 0 H ASN A 98 -2.000 -3.986 11.433 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.442 -1.415 12.714 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.581 -2.187 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.702 -0.540 10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.155 -1.162 12.854 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.516 -0.603 12.991 1.00 0.00 H new ATOM 1728 N HIS A 99 -4.835 -2.750 11.267 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.198 -2.661 10.758 1.00 0.00 C ATOM 1730 C HIS A 99 -6.896 -1.361 11.146 1.00 0.00 C ATOM 1731 O HIS A 99 -6.929 -0.972 12.317 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.041 -3.896 11.113 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.593 -3.956 12.519 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -8.910 -4.204 12.847 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -6.883 -3.881 13.689 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.998 -4.274 14.182 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -7.784 -4.110 14.738 1.00 0.00 N ATOM 0 H HIS A 99 -4.606 -3.678 11.625 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.106 -2.645 9.672 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.877 -3.950 10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.431 -4.784 10.948 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.826 -3.682 13.785 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.912 -4.438 14.733 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.562 -4.146 15.733 1.00 0.00 H new ATOM 1745 N GLU A 100 -7.433 -0.682 10.144 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.153 0.569 10.261 1.00 0.00 C ATOM 1747 C GLU A 100 -9.612 0.280 9.931 1.00 0.00 C ATOM 1748 O GLU A 100 -9.947 -0.744 9.327 1.00 0.00 O ATOM 1749 CB GLU A 100 -7.544 1.593 9.292 1.00 0.00 C ATOM 1750 CG GLU A 100 -6.302 2.283 9.862 1.00 0.00 C ATOM 1751 CD GLU A 100 -6.683 3.366 10.867 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -7.004 4.493 10.422 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -6.629 3.112 12.093 1.00 0.00 O ATOM 0 H GLU A 100 -7.373 -1.009 9.180 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.084 0.987 11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.281 1.093 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.293 2.346 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.662 1.544 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.723 2.724 9.050 1.00 0.00 H new ATOM 1760 N GLU A 101 -10.510 1.182 10.314 1.00 0.00 N ATOM 1761 CA GLU A 101 -11.933 1.011 10.048 1.00 0.00 C ATOM 1762 C GLU A 101 -12.294 1.293 8.592 1.00 0.00 C ATOM 1763 O GLU A 101 -13.453 1.120 8.211 1.00 0.00 O ATOM 1764 CB GLU A 101 -12.739 1.845 11.046 1.00 0.00 C ATOM 1765 CG GLU A 101 -12.842 1.088 12.376 1.00 0.00 C ATOM 1766 CD GLU A 101 -13.680 -0.183 12.213 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -14.900 -0.050 11.947 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -13.124 -1.303 12.329 1.00 0.00 O ATOM 0 H GLU A 101 -10.276 2.041 10.811 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.196 -0.036 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.259 2.811 11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.735 2.044 10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.844 0.829 12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.292 1.731 13.132 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.315 1.711 7.793 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.429 2.012 6.376 1.00 0.00 C ATOM 1777 C ASP A 102 -10.926 0.837 5.524 1.00 0.00 C ATOM 1778 O ASP A 102 -11.066 0.879 4.307 1.00 0.00 O ATOM 1779 CB ASP A 102 -10.666 3.301 6.031 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.152 3.254 6.278 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -8.592 2.151 6.437 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -8.518 4.336 6.319 1.00 0.00 O ATOM 0 H ASP A 102 -10.368 1.856 8.142 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.483 2.168 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.839 3.536 4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.087 4.120 6.614 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.414 -0.236 6.147 1.00 0.00 N ATOM 1788 CA TYR A 103 -9.882 -1.449 5.521 1.00 0.00 C ATOM 1789 C TYR A 103 -8.618 -1.218 4.674 1.00 0.00 C ATOM 1790 O TYR A 103 -8.224 -2.119 3.925 1.00 0.00 O ATOM 1791 CB TYR A 103 -10.969 -2.180 4.708 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.262 -2.496 5.438 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -13.339 -1.588 5.436 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -12.389 -3.727 6.102 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -14.555 -1.928 6.054 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -13.609 -4.084 6.706 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.705 -3.199 6.653 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.904 -3.610 7.147 1.00 0.00 O ATOM 0 H TYR A 103 -10.359 -0.279 7.165 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.569 -2.088 6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.209 -1.572 3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.548 -3.115 4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -13.230 -0.626 4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.547 -4.402 6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.371 -1.221 6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.705 -5.035 7.209 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.813 -4.512 7.519 1.00 0.00 H new ATOM 1808 N PHE A 104 -7.971 -0.054 4.751 1.00 0.00 N ATOM 1809 CA PHE A 104 -6.769 0.261 3.987 1.00 0.00 C ATOM 1810 C PHE A 104 -5.520 0.112 4.847 1.00 0.00 C ATOM 1811 O PHE A 104 -5.558 0.247 6.072 1.00 0.00 O ATOM 1812 CB PHE A 104 -6.865 1.686 3.417 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.931 1.850 2.350 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.855 1.123 1.149 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.041 2.675 2.586 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -8.922 1.139 0.233 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -10.097 2.708 1.664 1.00 0.00 C ATOM 1818 CZ PHE A 104 -10.054 1.928 0.500 1.00 0.00 C ATOM 0 H PHE A 104 -8.275 0.708 5.357 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.692 -0.445 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.071 2.380 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.899 1.965 2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.969 0.547 0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -9.082 3.284 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.872 0.549 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.952 3.341 1.853 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.886 1.933 -0.188 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.398 -0.173 4.183 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.082 -0.328 4.794 1.00 0.00 C ATOM 1830 C LEU A 105 -2.192 0.723 4.128 1.00 0.00 C ATOM 1831 O LEU A 105 -2.212 0.822 2.893 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.620 -1.778 4.574 1.00 0.00 C ATOM 1833 CG LEU A 105 -1.533 -2.347 5.506 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -0.141 -1.869 5.103 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -1.771 -2.073 6.991 1.00 0.00 C ATOM 0 H LEU A 105 -4.383 -0.306 3.172 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.061 -0.166 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.496 -2.422 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.256 -1.859 3.550 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.597 -3.428 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.599 -2.291 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.075 -2.194 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.101 -0.781 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.960 -2.507 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.805 -0.997 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.718 -2.519 7.296 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.459 1.527 4.898 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.578 2.584 4.405 1.00 0.00 C ATOM 1849 C TYR A 106 0.880 2.149 4.537 1.00 0.00 C ATOM 1850 O TYR A 106 1.289 1.682 5.597 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.852 3.858 5.225 1.00 0.00 C ATOM 1852 CG TYR A 106 0.247 4.905 5.199 1.00 0.00 C ATOM 1853 CD1 TYR A 106 1.352 4.775 6.064 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.163 6.012 4.339 1.00 0.00 C ATOM 1855 CE1 TYR A 106 2.387 5.723 6.056 1.00 0.00 C ATOM 1856 CE2 TYR A 106 1.182 6.981 4.354 1.00 0.00 C ATOM 1857 CZ TYR A 106 2.297 6.844 5.209 1.00 0.00 C ATOM 1858 OH TYR A 106 3.273 7.791 5.215 1.00 0.00 O ATOM 0 H TYR A 106 -1.463 1.458 5.916 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.770 2.783 3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.772 4.314 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.030 3.570 6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.403 3.935 6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.679 6.118 3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.247 5.593 6.696 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.111 7.840 3.704 1.00 0.00 H new ATOM 0 HH TYR A 106 3.110 8.434 4.493 1.00 0.00 H new ATOM 1868 N VAL A 107 1.683 2.305 3.481 1.00 0.00 N ATOM 1869 CA VAL A 107 3.093 1.937 3.506 1.00 0.00 C ATOM 1870 C VAL A 107 3.924 3.032 2.841 1.00 0.00 C ATOM 1871 O VAL A 107 3.609 3.482 1.736 1.00 0.00 O ATOM 1872 CB VAL A 107 3.326 0.538 2.896 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.492 -0.540 3.598 1.00 0.00 C ATOM 1874 CG2 VAL A 107 3.048 0.422 1.397 1.00 0.00 C ATOM 0 H VAL A 107 1.371 2.689 2.589 1.00 0.00 H new ATOM 0 HA VAL A 107 3.426 1.860 4.541 1.00 0.00 H new ATOM 0 HB VAL A 107 4.394 0.383 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.687 -1.508 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.762 -0.579 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.433 -0.300 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.242 -0.599 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.006 0.675 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.697 1.108 0.852 1.00 0.00 H new ATOM 1884 N ALA A 108 5.008 3.437 3.499 1.00 0.00 N ATOM 1885 CA ALA A 108 5.926 4.454 3.016 1.00 0.00 C ATOM 1886 C ALA A 108 7.269 3.787 2.729 1.00 0.00 C ATOM 1887 O ALA A 108 7.632 2.841 3.440 1.00 0.00 O ATOM 1888 CB ALA A 108 6.083 5.546 4.073 1.00 0.00 C ATOM 0 H ALA A 108 5.275 3.054 4.406 1.00 0.00 H new ATOM 0 HA ALA A 108 5.544 4.914 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.772 6.308 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.113 6.000 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.476 5.110 4.991 1.00 0.00 H new ATOM 1894 N TYR A 109 8.000 4.270 1.718 1.00 0.00 N ATOM 1895 CA TYR A 109 9.314 3.753 1.325 1.00 0.00 C ATOM 1896 C TYR A 109 10.320 4.897 1.223 1.00 0.00 C ATOM 1897 O TYR A 109 9.939 6.005 0.844 1.00 0.00 O ATOM 1898 CB TYR A 109 9.229 2.903 0.047 1.00 0.00 C ATOM 1899 CG TYR A 109 8.916 3.577 -1.277 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.580 3.858 -1.605 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.927 3.803 -2.233 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.250 4.418 -2.850 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.599 4.327 -3.499 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.258 4.655 -3.804 1.00 0.00 C ATOM 1905 OH TYR A 109 7.906 5.152 -5.023 1.00 0.00 O ATOM 0 H TYR A 109 7.687 5.048 1.138 1.00 0.00 H new ATOM 0 HA TYR A 109 9.675 3.077 2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.182 2.386 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.470 2.139 0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.798 3.641 -0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.955 3.574 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.224 4.667 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.373 4.478 -4.237 1.00 0.00 H new ATOM 0 HH TYR A 109 8.708 5.264 -5.575 1.00 0.00 H new ATOM 1915 N SER A 110 11.585 4.637 1.560 1.00 0.00 N ATOM 1916 CA SER A 110 12.650 5.629 1.536 1.00 0.00 C ATOM 1917 C SER A 110 13.993 4.990 1.196 1.00 0.00 C ATOM 1918 O SER A 110 14.151 3.768 1.254 1.00 0.00 O ATOM 1919 CB SER A 110 12.744 6.300 2.913 1.00 0.00 C ATOM 1920 OG SER A 110 13.534 7.472 2.843 1.00 0.00 O ATOM 0 H SER A 110 11.898 3.714 1.862 1.00 0.00 H new ATOM 0 HA SER A 110 12.417 6.366 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.745 6.549 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.177 5.606 3.633 1.00 0.00 H new ATOM 0 HG SER A 110 14.207 7.456 3.555 1.00 0.00 H new ATOM 1926 N ASP A 111 14.937 5.834 0.782 1.00 0.00 N ATOM 1927 CA ASP A 111 16.312 5.475 0.429 1.00 0.00 C ATOM 1928 C ASP A 111 17.245 5.702 1.625 1.00 0.00 C ATOM 1929 O ASP A 111 18.362 5.194 1.668 1.00 0.00 O ATOM 1930 CB ASP A 111 16.790 6.320 -0.760 1.00 0.00 C ATOM 1931 CG ASP A 111 18.284 6.148 -1.075 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.698 5.075 -1.571 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.046 7.122 -0.855 1.00 0.00 O ATOM 0 H ASP A 111 14.757 6.833 0.678 1.00 0.00 H new ATOM 0 HA ASP A 111 16.334 4.421 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.208 6.053 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.590 7.371 -0.552 1.00 0.00 H new ATOM 1938 N GLU A 112 16.796 6.475 2.614 1.00 0.00 N ATOM 1939 CA GLU A 112 17.541 6.809 3.815 1.00 0.00 C ATOM 1940 C GLU A 112 16.601 6.798 5.012 1.00 0.00 C ATOM 1941 O GLU A 112 15.441 7.203 4.871 1.00 0.00 O ATOM 1942 CB GLU A 112 18.220 8.177 3.612 1.00 0.00 C ATOM 1943 CG GLU A 112 17.268 9.317 3.189 1.00 0.00 C ATOM 1944 CD GLU A 112 18.052 10.576 2.828 1.00 0.00 C ATOM 1945 OE1 GLU A 112 18.788 10.556 1.812 1.00 0.00 O ATOM 1946 OE2 GLU A 112 17.986 11.579 3.563 1.00 0.00 O ATOM 0 H GLU A 112 15.868 6.898 2.594 1.00 0.00 H new ATOM 0 HA GLU A 112 18.321 6.073 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.715 8.462 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.997 8.072 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.670 8.999 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.574 9.536 4.000 1.00 0.00 H new ATOM 1953 N SER A 113 17.029 6.264 6.162 1.00 0.00 N ATOM 1954 CA SER A 113 16.175 6.264 7.339 1.00 0.00 C ATOM 1955 C SER A 113 16.206 7.700 7.883 1.00 0.00 C ATOM 1956 O SER A 113 17.133 8.050 8.618 1.00 0.00 O ATOM 1957 CB SER A 113 16.631 5.186 8.335 1.00 0.00 C ATOM 1958 OG SER A 113 18.015 5.220 8.640 1.00 0.00 O ATOM 0 H SER A 113 17.945 5.836 6.295 1.00 0.00 H new ATOM 0 HA SER A 113 15.141 5.997 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.065 5.299 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.385 4.205 7.928 1.00 0.00 H new ATOM 0 HG SER A 113 18.301 6.150 8.757 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.275 -1.551 -6.238 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.292 -0.732 -6.935 1.00 0.00 C ATOM 2088 C GLU B 730 -12.225 -1.651 -7.569 1.00 0.00 C ATOM 2089 O GLU B 730 -12.255 -2.877 -7.394 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.652 0.252 -5.936 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.775 1.739 -6.319 1.00 0.00 C ATOM 2092 CD GLU B 730 -12.080 2.183 -7.609 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -12.323 1.577 -8.677 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -11.368 3.217 -7.559 1.00 0.00 O ATOM 0 HA GLU B 730 -13.770 -0.157 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.112 0.105 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.595 0.005 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -13.834 1.981 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -12.377 2.335 -5.497 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.262 -1.071 -8.279 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.189 -1.797 -8.940 1.00 0.00 C ATOM 2103 C ASP B 731 -8.873 -1.078 -8.701 1.00 0.00 C ATOM 2104 O ASP B 731 -8.789 0.135 -8.890 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.513 -1.905 -10.423 1.00 0.00 C ATOM 2106 CG ASP B 731 -9.556 -2.826 -11.157 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -9.113 -3.839 -10.570 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -9.421 -2.636 -12.390 1.00 0.00 O ATOM 0 H ASP B 731 -11.207 -0.061 -8.412 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.095 -2.805 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -11.532 -2.273 -10.544 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -10.476 -0.913 -10.874 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.871 -1.810 -8.216 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.533 -1.316 -7.898 1.00 0.00 C ATOM 2115 C TYR B 732 -5.500 -2.230 -8.563 1.00 0.00 C ATOM 2116 O TYR B 732 -5.880 -3.234 -9.176 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.371 -1.242 -6.370 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.424 -0.425 -5.630 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.883 0.803 -6.148 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.955 -0.898 -4.415 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.912 1.513 -5.513 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.959 -0.172 -3.751 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.461 1.026 -4.311 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.454 1.720 -3.683 1.00 0.00 O ATOM 0 H TYR B 732 -7.975 -2.807 -8.026 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.379 -0.309 -8.286 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.381 -2.257 -5.973 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.390 -0.822 -6.147 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.436 1.202 -7.046 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.590 -1.822 -3.992 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -9.283 2.431 -5.945 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.349 -0.530 -2.810 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.720 1.245 -2.868 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.197 -1.964 -8.405 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.196 -2.796 -9.065 1.00 0.00 C ATOM 2136 C ILE B 733 -2.912 -4.033 -8.206 1.00 0.00 C ATOM 2137 O ILE B 733 -2.279 -3.940 -7.156 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.915 -1.991 -9.409 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.168 -0.745 -10.292 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.976 -2.885 -10.240 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.632 0.527 -9.576 1.00 0.00 C ATOM 0 H ILE B 733 -3.823 -1.200 -7.841 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.589 -3.137 -10.023 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.506 -1.673 -8.450 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -1.247 -0.516 -10.828 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -2.916 -1.006 -11.041 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -0.071 -2.330 -10.488 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.712 -3.771 -9.663 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -1.480 -3.187 -11.158 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -2.773 1.324 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -3.574 0.333 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -1.879 0.830 -8.848 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.421 -5.195 -8.618 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.203 -6.454 -7.910 1.00 0.00 C ATOM 2155 C ILE B 734 -1.806 -6.961 -8.305 1.00 0.00 C ATOM 2156 O ILE B 734 -1.403 -6.816 -9.465 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.303 -7.493 -8.265 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.737 -6.997 -7.958 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.060 -8.810 -7.500 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.831 -7.816 -8.656 1.00 0.00 C ATOM 0 H ILE B 734 -3.997 -5.288 -9.454 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.260 -6.302 -6.832 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.232 -7.650 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.901 -7.030 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.825 -5.954 -8.262 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.837 -9.529 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.086 -9.215 -7.774 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.085 -8.618 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.810 -7.412 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.692 -7.763 -9.736 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.770 -8.855 -8.333 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.059 -7.509 -7.346 1.00 0.00 N ATOM 2173 CA ILE B 735 0.268 -8.089 -7.521 1.00 0.00 C ATOM 2174 C ILE B 735 0.283 -9.308 -6.601 1.00 0.00 C ATOM 2175 O ILE B 735 0.333 -9.158 -5.378 1.00 0.00 O ATOM 2176 CB ILE B 735 1.436 -7.111 -7.220 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.612 -6.019 -8.301 1.00 0.00 C ATOM 2178 CG2 ILE B 735 2.788 -7.858 -7.159 1.00 0.00 C ATOM 2179 CD1 ILE B 735 0.972 -4.710 -7.866 1.00 0.00 C ATOM 0 H ILE B 735 -1.381 -7.562 -6.380 1.00 0.00 H new ATOM 0 HA ILE B 735 0.436 -8.350 -8.566 1.00 0.00 H new ATOM 0 HB ILE B 735 1.172 -6.656 -6.266 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.673 -5.862 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE B 735 1.164 -6.353 -9.237 1.00 0.00 H new ATOM 0 HG21 ILE B 735 3.587 -7.148 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE B 735 2.753 -8.610 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE B 735 2.979 -8.343 -8.116 1.00 0.00 H new ATOM 0 HD11 ILE B 735 1.111 -3.960 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE B 735 -0.094 -4.864 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE B 735 1.439 -4.365 -6.943 1.00 0.00 H new