USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ -117:sc=-0.000532 (180deg=-0.132) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 19 MET CE :methyl -142:sc= -0.132 (180deg=-0.526) USER MOD Single : A 20 MET CE :methyl 173:sc= -8.74! (180deg=-9.15!) USER MOD Single : A 23 THR OG1 : rot 152:sc= 1.28 USER MOD Single : A 25 SER OG : rot 180:sc= -1.33 USER MOD Single : A 27 ASN : amide:sc= 0.757 K(o=0.76,f=-0.47) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 31 LYS NZ :NH3+ -115:sc= 0.859 (180deg=-0.437) USER MOD Single : A 33 THR OG1 : rot -131:sc= 1.84 USER MOD Single : A 37 THR OG1 : rot -73:sc= 1 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-0.2) USER MOD Single : A 43 SER OG : rot -84:sc= 1.19 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.149 X(o=-0.15,f=0.028) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.078) USER MOD Single : A 58 SER OG : rot 180:sc= -0.167 USER MOD Single : A 64 MET CE :methyl 143:sc= 0 (180deg=-0.801) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -145:sc= 1.33 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.035 (180deg=-0.298) USER MOD Single : A 80 SER OG : rot 87:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.84) USER MOD Single : A 84 CYS SG : rot 48:sc= -0.286 USER MOD Single : A 88 THR OG1 : rot -2:sc= 0.487 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -1.416 14.191 0.232 1.00 0.00 N ATOM 234 CA LYS A 16 -0.491 13.976 -0.840 1.00 0.00 C ATOM 235 C LYS A 16 -0.688 12.588 -1.400 1.00 0.00 C ATOM 236 O LYS A 16 -0.634 11.597 -0.659 1.00 0.00 O ATOM 237 CB LYS A 16 0.951 14.130 -0.353 1.00 0.00 C ATOM 238 CG LYS A 16 2.001 13.989 -1.454 1.00 0.00 C ATOM 239 CD LYS A 16 1.919 15.136 -2.456 1.00 0.00 C ATOM 240 CE LYS A 16 2.867 14.925 -3.627 1.00 0.00 C ATOM 241 NZ LYS A 16 2.478 13.747 -4.430 1.00 0.00 N ATOM 0 HA LYS A 16 -0.676 14.720 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.062 15.107 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.145 13.383 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.996 13.964 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.860 13.041 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.897 15.225 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.160 16.074 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.870 15.813 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.883 14.794 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.235 13.035 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.601 13.340 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.324 14.035 -5.417 1.00 0.00 H new ATOM 255 N THR A 17 -0.945 12.527 -2.677 1.00 0.00 N ATOM 256 CA THR A 17 -1.086 11.288 -3.363 1.00 0.00 C ATOM 257 C THR A 17 0.279 10.582 -3.388 1.00 0.00 C ATOM 258 O THR A 17 1.264 11.106 -3.948 1.00 0.00 O ATOM 259 CB THR A 17 -1.579 11.548 -4.795 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.664 12.500 -4.744 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.074 10.259 -5.436 1.00 0.00 C ATOM 0 H THR A 17 -1.062 13.348 -3.270 1.00 0.00 H new ATOM 0 HA THR A 17 -1.813 10.655 -2.854 1.00 0.00 H new ATOM 0 HB THR A 17 -0.754 11.938 -5.391 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.987 12.676 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.418 10.465 -6.449 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.261 9.534 -5.470 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.898 9.853 -4.848 1.00 0.00 H new ATOM 269 N LEU A 18 0.332 9.449 -2.759 1.00 0.00 N ATOM 270 CA LEU A 18 1.522 8.652 -2.621 1.00 0.00 C ATOM 271 C LEU A 18 1.167 7.319 -3.271 1.00 0.00 C ATOM 272 O LEU A 18 0.220 6.664 -2.867 1.00 0.00 O ATOM 273 CB LEU A 18 1.775 8.491 -1.090 1.00 0.00 C ATOM 274 CG LEU A 18 3.196 8.204 -0.516 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.787 6.853 -0.825 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.181 9.327 -0.766 1.00 0.00 C ATOM 0 H LEU A 18 -0.483 9.033 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 18 2.417 9.074 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.422 9.406 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.128 7.684 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 18 3.005 8.162 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.775 6.776 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.141 6.073 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.873 6.732 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.149 9.063 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.287 9.486 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.817 10.241 -0.298 1.00 0.00 H new ATOM 288 N MET A 19 1.828 6.961 -4.307 1.00 0.00 N ATOM 289 CA MET A 19 1.493 5.696 -4.960 1.00 0.00 C ATOM 290 C MET A 19 2.307 4.613 -4.329 1.00 0.00 C ATOM 291 O MET A 19 3.497 4.814 -4.063 1.00 0.00 O ATOM 292 CB MET A 19 1.705 5.727 -6.500 1.00 0.00 C ATOM 293 CG MET A 19 3.154 5.701 -6.981 1.00 0.00 C ATOM 294 SD MET A 19 3.303 5.879 -8.780 1.00 0.00 S ATOM 295 CE MET A 19 2.375 4.450 -9.347 1.00 0.00 C ATOM 0 H MET A 19 2.589 7.490 -4.733 1.00 0.00 H new ATOM 0 HA MET A 19 0.429 5.509 -4.818 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.184 4.874 -6.935 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.229 6.625 -6.893 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.708 6.504 -6.494 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.617 4.763 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.866 4.021 -10.221 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.332 3.705 -8.552 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.363 4.755 -9.613 1.00 0.00 H new ATOM 305 N MET A 20 1.712 3.496 -3.996 1.00 0.00 N ATOM 306 CA MET A 20 2.527 2.504 -3.426 1.00 0.00 C ATOM 307 C MET A 20 2.475 1.225 -4.160 1.00 0.00 C ATOM 308 O MET A 20 1.407 0.600 -4.303 1.00 0.00 O ATOM 309 CB MET A 20 2.229 2.320 -2.001 1.00 0.00 C ATOM 310 CG MET A 20 3.362 1.678 -1.261 1.00 0.00 C ATOM 311 SD MET A 20 3.144 1.800 0.503 1.00 0.00 S ATOM 312 CE MET A 20 2.426 3.426 0.547 1.00 0.00 C ATOM 0 H MET A 20 0.723 3.275 -4.108 1.00 0.00 H new ATOM 0 HA MET A 20 3.553 2.862 -3.511 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.006 3.287 -1.551 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.335 1.706 -1.896 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.437 0.629 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.300 2.154 -1.546 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.096 3.651 1.561 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.169 4.160 0.236 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.572 3.465 -0.130 1.00 0.00 H new ATOM 322 N PHE A 21 3.633 0.837 -4.585 1.00 0.00 N ATOM 323 CA PHE A 21 3.864 -0.348 -5.332 1.00 0.00 C ATOM 324 C PHE A 21 4.249 -1.409 -4.331 1.00 0.00 C ATOM 325 O PHE A 21 5.127 -1.197 -3.491 1.00 0.00 O ATOM 326 CB PHE A 21 4.991 -0.036 -6.342 1.00 0.00 C ATOM 327 CG PHE A 21 5.499 -1.132 -7.243 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.305 -2.138 -6.751 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.228 -1.103 -8.610 1.00 0.00 C ATOM 330 CE1 PHE A 21 6.827 -3.100 -7.579 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.746 -2.072 -9.449 1.00 0.00 C ATOM 332 CZ PHE A 21 6.549 -3.072 -8.931 1.00 0.00 C ATOM 0 H PHE A 21 4.485 1.369 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 21 3.000 -0.699 -5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.644 0.777 -6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.842 0.344 -5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.529 -2.169 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.609 -0.317 -9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.455 -3.879 -7.173 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.524 -2.048 -10.506 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.958 -3.830 -9.583 1.00 0.00 H new ATOM 342 N VAL A 22 3.566 -2.490 -4.363 1.00 0.00 N ATOM 343 CA VAL A 22 3.796 -3.561 -3.444 1.00 0.00 C ATOM 344 C VAL A 22 4.155 -4.818 -4.194 1.00 0.00 C ATOM 345 O VAL A 22 3.516 -5.173 -5.194 1.00 0.00 O ATOM 346 CB VAL A 22 2.556 -3.782 -2.452 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.306 -3.055 -2.944 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.225 -5.274 -2.239 1.00 0.00 C ATOM 0 H VAL A 22 2.819 -2.668 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 22 4.641 -3.290 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 22 2.865 -3.361 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.486 -3.228 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.509 -1.986 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.030 -3.432 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.378 -5.365 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.973 -5.731 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.090 -5.781 -1.811 1.00 0.00 H new ATOM 358 N THR A 23 5.203 -5.423 -3.767 1.00 0.00 N ATOM 359 CA THR A 23 5.581 -6.676 -4.256 1.00 0.00 C ATOM 360 C THR A 23 4.995 -7.737 -3.244 1.00 0.00 C ATOM 361 O THR A 23 5.178 -7.569 -2.018 1.00 0.00 O ATOM 362 CB THR A 23 7.107 -6.766 -4.301 1.00 0.00 C ATOM 363 OG1 THR A 23 7.628 -5.778 -5.222 1.00 0.00 O ATOM 364 CG2 THR A 23 7.573 -8.146 -4.697 1.00 0.00 C ATOM 0 H THR A 23 5.827 -5.045 -3.054 1.00 0.00 H new ATOM 0 HA THR A 23 5.207 -6.850 -5.265 1.00 0.00 H new ATOM 0 HB THR A 23 7.487 -6.567 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.531 -5.517 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.663 -8.170 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.208 -8.875 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.186 -8.391 -5.686 1.00 0.00 H new ATOM 372 N VAL A 24 4.327 -8.791 -3.718 1.00 0.00 N ATOM 373 CA VAL A 24 3.632 -9.699 -2.874 1.00 0.00 C ATOM 374 C VAL A 24 4.060 -11.155 -3.310 1.00 0.00 C ATOM 375 O VAL A 24 3.948 -11.468 -4.472 1.00 0.00 O ATOM 376 CB VAL A 24 2.086 -9.470 -3.082 1.00 0.00 C ATOM 377 CG1 VAL A 24 1.730 -9.448 -4.537 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.283 -10.531 -2.451 1.00 0.00 C ATOM 0 H VAL A 24 4.267 -9.019 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 24 3.864 -9.554 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 24 1.863 -8.509 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.657 -9.288 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.270 -8.640 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.004 -10.399 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.224 -10.334 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.546 -11.495 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.483 -10.551 -1.380 1.00 0.00 H new ATOM 388 N SER A 25 4.518 -12.052 -2.422 1.00 0.00 N ATOM 389 CA SER A 25 5.078 -13.282 -2.944 1.00 0.00 C ATOM 390 C SER A 25 4.778 -14.530 -2.131 1.00 0.00 C ATOM 391 O SER A 25 5.610 -15.450 -2.083 1.00 0.00 O ATOM 392 CB SER A 25 6.571 -13.125 -3.117 1.00 0.00 C ATOM 393 OG SER A 25 7.182 -12.596 -1.972 1.00 0.00 O ATOM 0 H SER A 25 4.510 -11.952 -1.407 1.00 0.00 H new ATOM 0 HA SER A 25 4.583 -13.443 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.013 -14.094 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.770 -12.473 -3.968 1.00 0.00 H new ATOM 0 HG SER A 25 8.146 -12.512 -2.125 1.00 0.00 H new ATOM 399 N GLY A 26 3.615 -14.592 -1.503 1.00 0.00 N ATOM 400 CA GLY A 26 3.213 -15.839 -0.883 1.00 0.00 C ATOM 401 C GLY A 26 3.051 -16.886 -1.977 1.00 0.00 C ATOM 402 O GLY A 26 3.317 -18.059 -1.777 1.00 0.00 O ATOM 0 H GLY A 26 2.954 -13.821 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.960 -16.160 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.277 -15.709 -0.340 1.00 0.00 H new ATOM 406 N ASN A 27 2.589 -16.433 -3.129 1.00 0.00 N ATOM 407 CA ASN A 27 2.541 -17.215 -4.320 1.00 0.00 C ATOM 408 C ASN A 27 3.418 -16.520 -5.306 1.00 0.00 C ATOM 409 O ASN A 27 3.187 -15.352 -5.589 1.00 0.00 O ATOM 410 CB ASN A 27 1.116 -17.358 -4.857 1.00 0.00 C ATOM 411 CG ASN A 27 0.303 -18.401 -4.117 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.236 -19.559 -4.535 1.00 0.00 O ATOM 413 ND2 ASN A 27 -0.281 -18.029 -3.016 1.00 0.00 N ATOM 0 H ASN A 27 2.231 -15.485 -3.250 1.00 0.00 H new ATOM 0 HA ASN A 27 2.883 -18.231 -4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.610 -16.395 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.157 -17.621 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.815 -18.704 -2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.205 -17.062 -2.700 1.00 0.00 H new ATOM 420 N PRO A 28 4.430 -17.184 -5.843 1.00 0.00 N ATOM 421 CA PRO A 28 5.385 -16.562 -6.788 1.00 0.00 C ATOM 422 C PRO A 28 4.798 -16.398 -8.215 1.00 0.00 C ATOM 423 O PRO A 28 5.529 -16.353 -9.214 1.00 0.00 O ATOM 424 CB PRO A 28 6.544 -17.558 -6.790 1.00 0.00 C ATOM 425 CG PRO A 28 5.922 -18.875 -6.479 1.00 0.00 C ATOM 426 CD PRO A 28 4.756 -18.602 -5.579 1.00 0.00 C ATOM 0 HA PRO A 28 5.662 -15.550 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.046 -17.577 -7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.295 -17.291 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.597 -19.374 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.639 -19.536 -5.992 1.00 0.00 H new ATOM 0 HD2 PRO A 28 3.914 -19.255 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.012 -18.765 -4.532 1.00 0.00 H new ATOM 434 N THR A 29 3.504 -16.247 -8.285 1.00 0.00 N ATOM 435 CA THR A 29 2.765 -16.143 -9.508 1.00 0.00 C ATOM 436 C THR A 29 1.722 -15.034 -9.318 1.00 0.00 C ATOM 437 O THR A 29 1.876 -14.179 -8.435 1.00 0.00 O ATOM 438 CB THR A 29 2.022 -17.470 -9.759 1.00 0.00 C ATOM 439 OG1 THR A 29 1.239 -17.787 -8.587 1.00 0.00 O ATOM 440 CG2 THR A 29 2.991 -18.608 -10.064 1.00 0.00 C ATOM 0 H THR A 29 2.913 -16.191 -7.455 1.00 0.00 H new ATOM 0 HA THR A 29 3.429 -15.927 -10.345 1.00 0.00 H new ATOM 0 HB THR A 29 1.376 -17.353 -10.629 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.759 -18.629 -8.732 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.431 -19.527 -10.235 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.569 -18.364 -10.955 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.666 -18.747 -9.220 1.00 0.00 H new ATOM 448 N GLU A 30 0.655 -15.062 -10.095 1.00 0.00 N ATOM 449 CA GLU A 30 -0.415 -14.113 -9.929 1.00 0.00 C ATOM 450 C GLU A 30 -1.435 -14.602 -8.925 1.00 0.00 C ATOM 451 O GLU A 30 -2.435 -13.953 -8.736 1.00 0.00 O ATOM 452 CB GLU A 30 -1.134 -13.830 -11.241 1.00 0.00 C ATOM 453 CG GLU A 30 -0.356 -13.028 -12.231 1.00 0.00 C ATOM 454 CD GLU A 30 -1.092 -12.878 -13.532 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.940 -11.972 -13.663 1.00 0.00 O ATOM 456 OE2 GLU A 30 -0.835 -13.672 -14.461 1.00 0.00 O ATOM 0 H GLU A 30 0.512 -15.736 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 30 0.050 -13.195 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.406 -14.780 -11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.063 -13.305 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.148 -12.042 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.606 -13.508 -12.411 1.00 0.00 H new ATOM 463 N LYS A 31 -1.193 -15.731 -8.264 1.00 0.00 N ATOM 464 CA LYS A 31 -2.180 -16.227 -7.326 1.00 0.00 C ATOM 465 C LYS A 31 -2.230 -15.333 -6.082 1.00 0.00 C ATOM 466 O LYS A 31 -3.311 -15.034 -5.561 1.00 0.00 O ATOM 467 CB LYS A 31 -1.977 -17.732 -6.981 1.00 0.00 C ATOM 468 CG LYS A 31 -3.205 -18.403 -6.322 1.00 0.00 C ATOM 469 CD LYS A 31 -3.393 -18.033 -4.854 1.00 0.00 C ATOM 470 CE LYS A 31 -4.851 -18.144 -4.436 1.00 0.00 C ATOM 471 NZ LYS A 31 -5.037 -17.890 -2.990 1.00 0.00 N ATOM 0 H LYS A 31 -0.351 -16.299 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.156 -16.176 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.729 -18.272 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.122 -17.828 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.101 -18.123 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.104 -19.485 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.784 -18.688 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.041 -17.015 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.447 -17.433 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.223 -19.139 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.375 -18.757 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.131 -17.602 -2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.737 -17.132 -2.858 1.00 0.00 H new ATOM 485 N GLU A 32 -1.086 -14.863 -5.624 1.00 0.00 N ATOM 486 CA GLU A 32 -1.116 -13.988 -4.471 1.00 0.00 C ATOM 487 C GLU A 32 -1.642 -12.637 -4.971 1.00 0.00 C ATOM 488 O GLU A 32 -2.471 -12.019 -4.339 1.00 0.00 O ATOM 489 CB GLU A 32 0.271 -13.881 -3.787 1.00 0.00 C ATOM 490 CG GLU A 32 0.242 -13.606 -2.262 1.00 0.00 C ATOM 491 CD GLU A 32 -0.450 -14.708 -1.497 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.044 -15.829 -1.511 1.00 0.00 O ATOM 493 OE2 GLU A 32 -1.512 -14.474 -0.878 1.00 0.00 O ATOM 0 H GLU A 32 -0.164 -15.061 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.770 -14.383 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.815 -14.809 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.836 -13.085 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.262 -13.497 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.267 -12.661 -2.075 1.00 0.00 H new ATOM 500 N THR A 33 -1.168 -12.247 -6.149 1.00 0.00 N ATOM 501 CA THR A 33 -1.679 -11.100 -6.890 1.00 0.00 C ATOM 502 C THR A 33 -3.215 -11.082 -6.895 1.00 0.00 C ATOM 503 O THR A 33 -3.801 -10.160 -6.388 1.00 0.00 O ATOM 504 CB THR A 33 -1.191 -11.122 -8.361 1.00 0.00 C ATOM 505 OG1 THR A 33 0.231 -11.074 -8.400 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.742 -9.939 -9.141 1.00 0.00 C ATOM 0 H THR A 33 -0.404 -12.728 -6.624 1.00 0.00 H new ATOM 0 HA THR A 33 -1.301 -10.209 -6.389 1.00 0.00 H new ATOM 0 HB THR A 33 -1.550 -12.044 -8.817 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.518 -10.381 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.382 -9.982 -10.169 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.831 -9.975 -9.136 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.408 -9.011 -8.678 1.00 0.00 H new ATOM 514 N GLU A 34 -3.843 -12.131 -7.422 1.00 0.00 N ATOM 515 CA GLU A 34 -5.295 -12.211 -7.536 1.00 0.00 C ATOM 516 C GLU A 34 -5.981 -12.160 -6.174 1.00 0.00 C ATOM 517 O GLU A 34 -6.945 -11.386 -5.989 1.00 0.00 O ATOM 518 CB GLU A 34 -5.725 -13.449 -8.343 1.00 0.00 C ATOM 519 CG GLU A 34 -5.319 -14.779 -7.726 1.00 0.00 C ATOM 520 CD GLU A 34 -5.778 -15.971 -8.514 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.099 -16.370 -9.477 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.829 -16.536 -8.184 1.00 0.00 O ATOM 0 H GLU A 34 -3.356 -12.951 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.623 -11.329 -8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.809 -13.433 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.297 -13.381 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.233 -14.811 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.727 -14.842 -6.717 1.00 0.00 H new ATOM 529 N GLU A 35 -5.446 -12.941 -5.226 1.00 0.00 N ATOM 530 CA GLU A 35 -5.939 -13.009 -3.848 1.00 0.00 C ATOM 531 C GLU A 35 -5.998 -11.573 -3.293 1.00 0.00 C ATOM 532 O GLU A 35 -7.081 -11.040 -2.953 1.00 0.00 O ATOM 533 CB GLU A 35 -4.926 -13.873 -2.998 1.00 0.00 C ATOM 534 CG GLU A 35 -5.344 -14.171 -1.570 1.00 0.00 C ATOM 535 CD GLU A 35 -6.597 -14.995 -1.476 1.00 0.00 C ATOM 536 OE1 GLU A 35 -7.697 -14.419 -1.440 1.00 0.00 O ATOM 537 OE2 GLU A 35 -6.502 -16.238 -1.403 1.00 0.00 O ATOM 0 H GLU A 35 -4.647 -13.551 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.929 -13.464 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.764 -14.820 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.967 -13.355 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.534 -14.696 -1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.495 -13.231 -1.040 1.00 0.00 H new ATOM 544 N ILE A 36 -4.862 -10.949 -3.293 1.00 0.00 N ATOM 545 CA ILE A 36 -4.692 -9.635 -2.768 1.00 0.00 C ATOM 546 C ILE A 36 -5.421 -8.563 -3.573 1.00 0.00 C ATOM 547 O ILE A 36 -6.120 -7.766 -3.001 1.00 0.00 O ATOM 548 CB ILE A 36 -3.187 -9.299 -2.553 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.662 -9.936 -1.280 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.837 -7.838 -2.630 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.179 -11.343 -1.471 1.00 0.00 C ATOM 0 H ILE A 36 -4.004 -11.353 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.170 -9.630 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.676 -9.741 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.845 -9.329 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.451 -9.930 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.767 -7.711 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.102 -7.452 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.388 -7.291 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.818 -11.736 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.999 -11.963 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.368 -11.354 -2.199 1.00 0.00 H new ATOM 563 N THR A 37 -5.311 -8.584 -4.876 1.00 0.00 N ATOM 564 CA THR A 37 -5.912 -7.540 -5.678 1.00 0.00 C ATOM 565 C THR A 37 -7.422 -7.493 -5.537 1.00 0.00 C ATOM 566 O THR A 37 -7.973 -6.448 -5.172 1.00 0.00 O ATOM 567 CB THR A 37 -5.493 -7.589 -7.161 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.692 -8.910 -7.702 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.029 -7.169 -7.327 1.00 0.00 C ATOM 0 H THR A 37 -4.817 -9.303 -5.404 1.00 0.00 H new ATOM 0 HA THR A 37 -5.515 -6.609 -5.272 1.00 0.00 H new ATOM 0 HB THR A 37 -6.120 -6.887 -7.711 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.013 -9.517 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.756 -7.211 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.898 -6.151 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.390 -7.845 -6.759 1.00 0.00 H new ATOM 577 N SER A 38 -8.085 -8.616 -5.737 1.00 0.00 N ATOM 578 CA SER A 38 -9.511 -8.614 -5.660 1.00 0.00 C ATOM 579 C SER A 38 -10.011 -8.430 -4.211 1.00 0.00 C ATOM 580 O SER A 38 -10.882 -7.555 -3.958 1.00 0.00 O ATOM 581 CB SER A 38 -10.107 -9.847 -6.354 1.00 0.00 C ATOM 582 OG SER A 38 -9.628 -9.931 -7.685 1.00 0.00 O ATOM 0 H SER A 38 -7.659 -9.518 -5.949 1.00 0.00 H new ATOM 0 HA SER A 38 -9.874 -7.745 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.839 -10.749 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.195 -9.785 -6.353 1.00 0.00 H new ATOM 0 HG SER A 38 -10.011 -10.721 -8.121 1.00 0.00 H new ATOM 588 N LEU A 39 -9.409 -9.146 -3.234 1.00 0.00 N ATOM 589 CA LEU A 39 -9.911 -9.052 -1.879 1.00 0.00 C ATOM 590 C LEU A 39 -9.581 -7.696 -1.285 1.00 0.00 C ATOM 591 O LEU A 39 -10.462 -7.023 -0.710 1.00 0.00 O ATOM 592 CB LEU A 39 -9.416 -10.217 -0.980 1.00 0.00 C ATOM 593 CG LEU A 39 -9.887 -10.196 0.478 1.00 0.00 C ATOM 594 CD1 LEU A 39 -11.400 -10.341 0.560 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.198 -11.287 1.277 1.00 0.00 C ATOM 0 H LEU A 39 -8.609 -9.766 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.996 -9.149 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.737 -11.157 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.326 -10.216 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.616 -9.233 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.711 -10.323 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.874 -9.517 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.700 -11.286 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.545 -11.256 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.434 -12.259 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.120 -11.130 1.252 1.00 0.00 H new ATOM 607 N TRP A 40 -8.358 -7.230 -1.500 1.00 0.00 N ATOM 608 CA TRP A 40 -7.972 -5.997 -0.922 1.00 0.00 C ATOM 609 C TRP A 40 -8.556 -4.876 -1.643 1.00 0.00 C ATOM 610 O TRP A 40 -9.305 -4.201 -1.068 1.00 0.00 O ATOM 611 CB TRP A 40 -6.490 -5.788 -0.801 1.00 0.00 C ATOM 612 CG TRP A 40 -5.788 -6.728 0.084 1.00 0.00 C ATOM 613 CD1 TRP A 40 -6.294 -7.758 0.826 1.00 0.00 C ATOM 614 CD2 TRP A 40 -4.422 -6.704 0.300 1.00 0.00 C ATOM 615 NE1 TRP A 40 -5.273 -8.378 1.489 1.00 0.00 N ATOM 616 CE2 TRP A 40 -4.103 -7.746 1.169 1.00 0.00 C ATOM 617 CE3 TRP A 40 -3.426 -5.889 -0.184 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.804 -7.988 1.563 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -2.158 -6.125 0.192 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.838 -7.159 1.052 1.00 0.00 C ATOM 0 H TRP A 40 -7.644 -7.693 -2.063 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.359 -6.044 0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.049 -5.854 -1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.312 -4.775 -0.440 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.336 -8.038 0.880 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.367 -9.177 2.116 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.659 -5.074 -0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.559 -8.792 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.370 -5.492 -0.187 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.806 -7.317 1.327 1.00 0.00 H new ATOM 631 N GLN A 41 -8.282 -4.683 -2.945 1.00 0.00 N ATOM 632 CA GLN A 41 -8.780 -3.456 -3.551 1.00 0.00 C ATOM 633 C GLN A 41 -10.312 -3.419 -3.600 1.00 0.00 C ATOM 634 O GLN A 41 -10.912 -2.317 -3.594 1.00 0.00 O ATOM 635 CB GLN A 41 -8.012 -2.962 -4.839 1.00 0.00 C ATOM 636 CG GLN A 41 -8.387 -3.557 -6.186 1.00 0.00 C ATOM 637 CD GLN A 41 -9.453 -2.734 -6.888 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.651 -2.965 -6.718 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.029 -1.774 -7.685 1.00 0.00 N ATOM 0 H GLN A 41 -7.758 -5.313 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.509 -2.653 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.142 -1.882 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.949 -3.146 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.500 -3.617 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.748 -4.576 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.029 -1.612 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.701 -1.193 -8.186 1.00 0.00 H new ATOM 648 N GLY A 42 -10.946 -4.620 -3.542 1.00 0.00 N ATOM 649 CA GLY A 42 -12.369 -4.681 -3.343 1.00 0.00 C ATOM 650 C GLY A 42 -12.732 -4.036 -2.006 1.00 0.00 C ATOM 651 O GLY A 42 -13.513 -3.090 -1.969 1.00 0.00 O ATOM 0 H GLY A 42 -10.483 -5.525 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.882 -4.167 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.704 -5.718 -3.360 1.00 0.00 H new ATOM 655 N SER A 43 -12.108 -4.492 -0.918 1.00 0.00 N ATOM 656 CA SER A 43 -12.351 -3.900 0.392 1.00 0.00 C ATOM 657 C SER A 43 -11.751 -2.475 0.505 1.00 0.00 C ATOM 658 O SER A 43 -12.264 -1.639 1.236 1.00 0.00 O ATOM 659 CB SER A 43 -11.861 -4.822 1.509 1.00 0.00 C ATOM 660 OG SER A 43 -10.516 -5.228 1.304 1.00 0.00 O ATOM 0 H SER A 43 -11.438 -5.261 -0.920 1.00 0.00 H new ATOM 0 HA SER A 43 -13.429 -3.789 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.944 -4.309 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.502 -5.702 1.562 1.00 0.00 H new ATOM 0 HG SER A 43 -10.496 -6.002 0.704 1.00 0.00 H new ATOM 666 N LEU A 44 -10.692 -2.205 -0.264 1.00 0.00 N ATOM 667 CA LEU A 44 -10.059 -0.896 -0.321 1.00 0.00 C ATOM 668 C LEU A 44 -11.070 0.135 -0.834 1.00 0.00 C ATOM 669 O LEU A 44 -11.047 1.301 -0.430 1.00 0.00 O ATOM 670 CB LEU A 44 -8.726 -0.893 -1.182 1.00 0.00 C ATOM 671 CG LEU A 44 -7.602 -1.892 -0.803 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.231 -1.566 -1.478 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.490 -2.056 0.694 1.00 0.00 C ATOM 0 H LEU A 44 -10.251 -2.899 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.752 -0.625 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.001 -1.080 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.306 0.112 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.897 -2.858 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.490 -2.303 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.343 -1.595 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.903 -0.572 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.693 -2.763 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.263 -1.092 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.433 -2.432 1.090 1.00 0.00 H new ATOM 685 N PHE A 45 -11.990 -0.306 -1.707 1.00 0.00 N ATOM 686 CA PHE A 45 -13.063 0.571 -2.145 1.00 0.00 C ATOM 687 C PHE A 45 -14.305 0.388 -1.249 1.00 0.00 C ATOM 688 O PHE A 45 -15.081 1.319 -1.051 1.00 0.00 O ATOM 689 CB PHE A 45 -13.408 0.325 -3.621 1.00 0.00 C ATOM 690 CG PHE A 45 -14.440 1.276 -4.177 1.00 0.00 C ATOM 691 CD1 PHE A 45 -14.121 2.608 -4.399 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.724 0.841 -4.464 1.00 0.00 C ATOM 693 CE1 PHE A 45 -15.062 3.485 -4.900 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.668 1.715 -4.965 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.338 3.038 -5.185 1.00 0.00 C ATOM 0 H PHE A 45 -12.006 -1.243 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.722 1.602 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.497 0.406 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.772 -0.696 -3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.125 2.963 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.989 -0.192 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.801 4.519 -5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.665 1.364 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.076 3.722 -5.579 1.00 0.00 H new ATOM 705 N ASN A 46 -14.466 -0.801 -0.686 1.00 0.00 N ATOM 706 CA ASN A 46 -15.618 -1.123 0.175 1.00 0.00 C ATOM 707 C ASN A 46 -15.566 -0.349 1.500 1.00 0.00 C ATOM 708 O ASN A 46 -16.593 -0.010 2.074 1.00 0.00 O ATOM 709 CB ASN A 46 -15.741 -2.656 0.401 1.00 0.00 C ATOM 710 CG ASN A 46 -16.956 -3.049 1.230 1.00 0.00 C ATOM 711 OD1 ASN A 46 -18.048 -3.218 0.692 1.00 0.00 O ATOM 712 ND2 ASN A 46 -16.772 -3.263 2.508 1.00 0.00 N ATOM 0 H ASN A 46 -13.811 -1.573 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.520 -0.800 -0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.793 -3.155 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.840 -3.016 0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -17.548 -3.580 3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.852 -3.113 2.923 1.00 0.00 H new ATOM 719 N ALA A 47 -14.363 -0.025 1.955 1.00 0.00 N ATOM 720 CA ALA A 47 -14.179 0.780 3.159 1.00 0.00 C ATOM 721 C ALA A 47 -14.125 2.261 2.786 1.00 0.00 C ATOM 722 O ALA A 47 -13.754 3.117 3.599 1.00 0.00 O ATOM 723 CB ALA A 47 -12.918 0.365 3.893 1.00 0.00 C ATOM 0 H ALA A 47 -13.493 -0.309 1.505 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.025 0.615 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.799 0.977 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.992 -0.684 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.055 0.504 3.241 1.00 0.00 H new ATOM 729 N ASN A 48 -14.504 2.526 1.531 1.00 0.00 N ATOM 730 CA ASN A 48 -14.607 3.857 0.928 1.00 0.00 C ATOM 731 C ASN A 48 -13.382 4.761 1.150 1.00 0.00 C ATOM 732 O ASN A 48 -13.538 5.930 1.517 1.00 0.00 O ATOM 733 CB ASN A 48 -15.941 4.605 1.309 1.00 0.00 C ATOM 734 CG ASN A 48 -16.193 4.824 2.803 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.730 5.806 3.396 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.989 3.972 3.394 1.00 0.00 N ATOM 0 H ASN A 48 -14.759 1.784 0.879 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.634 3.651 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.941 5.577 0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.779 4.040 0.900 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.245 4.107 4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.354 3.172 2.877 1.00 0.00 H new ATOM 743 N TYR A 49 -12.150 4.268 0.903 1.00 0.00 N ATOM 744 CA TYR A 49 -11.034 5.131 1.044 1.00 0.00 C ATOM 745 C TYR A 49 -10.796 5.771 -0.369 1.00 0.00 C ATOM 746 O TYR A 49 -11.273 5.204 -1.366 1.00 0.00 O ATOM 747 CB TYR A 49 -9.824 4.325 1.529 1.00 0.00 C ATOM 748 CG TYR A 49 -9.874 3.796 2.941 1.00 0.00 C ATOM 749 CD1 TYR A 49 -10.397 4.535 3.994 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.390 2.523 3.212 1.00 0.00 C ATOM 751 CE1 TYR A 49 -10.431 4.013 5.276 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.419 1.996 4.479 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.938 2.742 5.509 1.00 0.00 C ATOM 754 OH TYR A 49 -9.987 2.208 6.777 1.00 0.00 O ATOM 0 H TYR A 49 -11.940 3.311 0.618 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.200 5.916 1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.688 3.479 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.938 4.953 1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.781 5.528 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.980 1.933 2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.840 4.595 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.037 1.003 4.665 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.601 1.307 6.768 1.00 0.00 H new ATOM 764 N ASP A 50 -10.100 6.911 -0.494 1.00 0.00 N ATOM 765 CA ASP A 50 -9.955 7.541 -1.818 1.00 0.00 C ATOM 766 C ASP A 50 -8.604 7.218 -2.391 1.00 0.00 C ATOM 767 O ASP A 50 -7.613 7.913 -2.170 1.00 0.00 O ATOM 768 CB ASP A 50 -10.217 9.049 -1.778 1.00 0.00 C ATOM 769 CG ASP A 50 -9.990 9.728 -3.119 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.758 9.478 -4.074 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.026 10.515 -3.240 1.00 0.00 O ATOM 0 H ASP A 50 -9.643 7.402 0.274 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.718 7.126 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.244 9.225 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.567 9.505 -1.031 1.00 0.00 H new ATOM 776 N VAL A 51 -8.572 6.128 -3.079 1.00 0.00 N ATOM 777 CA VAL A 51 -7.353 5.511 -3.536 1.00 0.00 C ATOM 778 C VAL A 51 -7.571 4.826 -4.879 1.00 0.00 C ATOM 779 O VAL A 51 -8.695 4.659 -5.314 1.00 0.00 O ATOM 780 CB VAL A 51 -6.917 4.433 -2.503 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.231 5.026 -1.288 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.130 3.692 -2.050 1.00 0.00 C ATOM 0 H VAL A 51 -9.413 5.619 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.589 6.281 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.200 3.776 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.950 4.226 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.338 5.566 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.912 5.712 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.842 2.931 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.830 4.388 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.606 3.215 -2.907 1.00 0.00 H new ATOM 792 N GLN A 52 -6.501 4.406 -5.500 1.00 0.00 N ATOM 793 CA GLN A 52 -6.532 3.653 -6.763 1.00 0.00 C ATOM 794 C GLN A 52 -5.621 2.478 -6.563 1.00 0.00 C ATOM 795 O GLN A 52 -4.498 2.643 -6.173 1.00 0.00 O ATOM 796 CB GLN A 52 -6.009 4.514 -7.900 1.00 0.00 C ATOM 797 CG GLN A 52 -6.790 5.796 -8.122 1.00 0.00 C ATOM 798 CD GLN A 52 -6.098 6.735 -9.076 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.736 7.511 -9.786 1.00 0.00 O ATOM 800 NE2 GLN A 52 -4.793 6.678 -9.103 1.00 0.00 N ATOM 0 H GLN A 52 -5.557 4.572 -5.150 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.546 3.345 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.968 4.767 -7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.024 3.929 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.779 5.553 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.937 6.298 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.299 6.021 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.269 7.290 -9.728 1.00 0.00 H new ATOM 809 N ARG A 53 -6.100 1.301 -6.746 1.00 0.00 N ATOM 810 CA ARG A 53 -5.290 0.149 -6.418 1.00 0.00 C ATOM 811 C ARG A 53 -5.312 -0.783 -7.567 1.00 0.00 C ATOM 812 O ARG A 53 -6.373 -1.052 -8.123 1.00 0.00 O ATOM 813 CB ARG A 53 -5.738 -0.537 -5.110 1.00 0.00 C ATOM 814 CG ARG A 53 -5.848 0.379 -3.894 1.00 0.00 C ATOM 815 CD ARG A 53 -7.076 1.194 -3.949 1.00 0.00 C ATOM 816 NE ARG A 53 -8.309 0.390 -4.113 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.405 0.791 -4.802 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.502 2.019 -5.257 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.427 -0.022 -4.988 1.00 0.00 N ATOM 0 H ARG A 53 -7.029 1.095 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.267 0.477 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.707 -1.006 -5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.033 -1.336 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.846 -0.220 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.977 1.032 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.154 1.782 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.998 1.899 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.335 -0.531 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.747 2.685 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.333 2.307 -5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.400 -0.969 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.244 0.297 -5.509 1.00 0.00 H new ATOM 833 N PHE A 54 -4.172 -1.296 -7.916 1.00 0.00 N ATOM 834 CA PHE A 54 -4.054 -1.959 -9.206 1.00 0.00 C ATOM 835 C PHE A 54 -3.360 -3.273 -9.177 1.00 0.00 C ATOM 836 O PHE A 54 -2.546 -3.568 -8.274 1.00 0.00 O ATOM 837 CB PHE A 54 -3.371 -1.075 -10.262 1.00 0.00 C ATOM 838 CG PHE A 54 -4.123 0.163 -10.662 1.00 0.00 C ATOM 839 CD1 PHE A 54 -5.369 0.079 -11.255 1.00 0.00 C ATOM 840 CD2 PHE A 54 -3.567 1.401 -10.465 1.00 0.00 C ATOM 841 CE1 PHE A 54 -6.041 1.219 -11.639 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.223 2.541 -10.840 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.467 2.457 -11.430 1.00 0.00 C ATOM 0 H PHE A 54 -3.322 -1.277 -7.352 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.093 -2.142 -9.480 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.394 -0.777 -9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.197 -1.676 -11.154 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.820 -0.889 -11.419 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.593 1.477 -10.005 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.014 1.144 -12.102 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.767 3.506 -10.674 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.989 3.355 -11.727 1.00 0.00 H new ATOM 853 N ILE A 55 -3.731 -4.078 -10.144 1.00 0.00 N ATOM 854 CA ILE A 55 -3.052 -5.287 -10.472 1.00 0.00 C ATOM 855 C ILE A 55 -1.973 -4.866 -11.444 1.00 0.00 C ATOM 856 O ILE A 55 -2.273 -4.454 -12.568 1.00 0.00 O ATOM 857 CB ILE A 55 -3.988 -6.287 -11.193 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.273 -6.489 -10.385 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.267 -7.616 -11.434 1.00 0.00 C ATOM 860 CD1 ILE A 55 -6.208 -7.529 -10.934 1.00 0.00 C ATOM 0 H ILE A 55 -4.541 -3.894 -10.737 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.676 -5.778 -9.574 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.263 -5.876 -12.164 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.004 -6.765 -9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.803 -5.538 -10.329 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.939 -8.308 -11.942 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.386 -7.445 -12.053 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.961 -8.043 -10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.088 -7.600 -10.295 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.513 -7.248 -11.942 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.702 -8.494 -10.964 1.00 0.00 H new ATOM 872 N VAL A 56 -0.758 -4.887 -11.004 1.00 0.00 N ATOM 873 CA VAL A 56 0.327 -4.420 -11.811 1.00 0.00 C ATOM 874 C VAL A 56 1.260 -5.544 -12.198 1.00 0.00 C ATOM 875 O VAL A 56 2.162 -5.347 -13.021 1.00 0.00 O ATOM 876 CB VAL A 56 1.098 -3.231 -11.162 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.244 -1.956 -11.159 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.514 -3.576 -9.745 1.00 0.00 C ATOM 0 H VAL A 56 -0.487 -5.226 -10.081 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.120 -4.032 -12.726 1.00 0.00 H new ATOM 0 HB VAL A 56 1.991 -3.048 -11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.806 -1.143 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.012 -1.687 -12.184 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.669 -2.131 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.051 -2.734 -9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.628 -3.791 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.163 -4.452 -9.759 1.00 0.00 H new ATOM 888 N GLY A 57 1.111 -6.709 -11.575 1.00 0.00 N ATOM 889 CA GLY A 57 1.867 -7.837 -12.089 1.00 0.00 C ATOM 890 C GLY A 57 1.814 -9.084 -11.250 1.00 0.00 C ATOM 891 O GLY A 57 1.202 -9.115 -10.176 1.00 0.00 O ATOM 0 H GLY A 57 0.515 -6.890 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.499 -8.075 -13.087 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.909 -7.536 -12.197 1.00 0.00 H new ATOM 895 N SER A 58 2.445 -10.115 -11.749 1.00 0.00 N ATOM 896 CA SER A 58 2.584 -11.361 -11.055 1.00 0.00 C ATOM 897 C SER A 58 3.500 -11.106 -9.879 1.00 0.00 C ATOM 898 O SER A 58 4.679 -10.781 -10.096 1.00 0.00 O ATOM 899 CB SER A 58 3.241 -12.373 -11.998 1.00 0.00 C ATOM 900 OG SER A 58 2.588 -12.381 -13.265 1.00 0.00 O ATOM 0 H SER A 58 2.885 -10.108 -12.669 1.00 0.00 H new ATOM 0 HA SER A 58 1.621 -11.749 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.294 -12.125 -12.128 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.200 -13.369 -11.556 1.00 0.00 H new ATOM 0 HG SER A 58 3.024 -13.033 -13.853 1.00 0.00 H new ATOM 906 N ASP A 59 2.947 -11.156 -8.651 1.00 0.00 N ATOM 907 CA ASP A 59 3.703 -10.899 -7.442 1.00 0.00 C ATOM 908 C ASP A 59 3.895 -9.362 -7.251 1.00 0.00 C ATOM 909 O ASP A 59 4.656 -8.888 -6.431 1.00 0.00 O ATOM 910 CB ASP A 59 4.986 -11.836 -7.402 1.00 0.00 C ATOM 911 CG ASP A 59 6.294 -11.249 -6.896 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.990 -10.571 -7.679 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.719 -11.575 -5.776 1.00 0.00 O ATOM 0 H ASP A 59 1.965 -11.376 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 59 3.165 -11.186 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.747 -12.699 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.158 -12.207 -8.412 1.00 0.00 H new ATOM 918 N ARG A 60 3.046 -8.591 -7.983 1.00 0.00 N ATOM 919 CA ARG A 60 3.003 -7.109 -7.933 1.00 0.00 C ATOM 920 C ARG A 60 1.540 -6.564 -7.805 1.00 0.00 C ATOM 921 O ARG A 60 0.666 -6.846 -8.660 1.00 0.00 O ATOM 922 CB ARG A 60 3.644 -6.475 -9.180 1.00 0.00 C ATOM 923 CG ARG A 60 5.166 -6.491 -9.255 1.00 0.00 C ATOM 924 CD ARG A 60 5.729 -7.857 -9.529 1.00 0.00 C ATOM 925 NE ARG A 60 7.180 -7.834 -9.656 1.00 0.00 N ATOM 926 CZ ARG A 60 7.880 -8.720 -10.354 1.00 0.00 C ATOM 927 NH1 ARG A 60 7.277 -9.773 -10.888 1.00 0.00 N ATOM 928 NH2 ARG A 60 9.190 -8.592 -10.473 1.00 0.00 N ATOM 0 H ARG A 60 2.366 -8.989 -8.631 1.00 0.00 H new ATOM 0 HA ARG A 60 3.571 -6.831 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.255 -6.988 -10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.312 -5.439 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.492 -5.806 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.574 -6.118 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.446 -8.534 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.291 -8.252 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 60 7.690 -7.091 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.273 -9.904 -10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.817 -10.452 -11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.669 -7.809 -10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.723 -9.276 -11.011 1.00 0.00 H new ATOM 942 N ALA A 61 1.319 -5.710 -6.810 1.00 0.00 N ATOM 943 CA ALA A 61 0.004 -5.124 -6.474 1.00 0.00 C ATOM 944 C ALA A 61 0.223 -3.655 -6.175 1.00 0.00 C ATOM 945 O ALA A 61 1.388 -3.249 -6.044 1.00 0.00 O ATOM 946 CB ALA A 61 -0.512 -5.787 -5.196 1.00 0.00 C ATOM 0 H ALA A 61 2.064 -5.391 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.703 -5.266 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.482 -5.366 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.614 -6.860 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.192 -5.609 -4.384 1.00 0.00 H new ATOM 952 N ILE A 62 -0.829 -2.816 -6.119 1.00 0.00 N ATOM 953 CA ILE A 62 -0.609 -1.479 -5.582 1.00 0.00 C ATOM 954 C ILE A 62 -1.780 -1.027 -4.828 1.00 0.00 C ATOM 955 O ILE A 62 -2.927 -1.462 -5.115 1.00 0.00 O ATOM 956 CB ILE A 62 -0.363 -0.305 -6.595 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.687 0.363 -7.044 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.454 -0.712 -7.777 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.457 1.614 -7.855 1.00 0.00 C ATOM 0 H ILE A 62 -1.780 -3.029 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 62 0.304 -1.639 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 62 0.220 0.435 -6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.267 -0.347 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.283 0.608 -6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.588 0.144 -8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.428 -1.067 -7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.057 -1.510 -8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.417 2.042 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.902 2.338 -7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.886 1.368 -8.750 1.00 0.00 H new ATOM 971 N PHE A 63 -1.495 -0.083 -3.960 1.00 0.00 N ATOM 972 CA PHE A 63 -2.467 0.737 -3.341 1.00 0.00 C ATOM 973 C PHE A 63 -1.953 2.177 -3.476 1.00 0.00 C ATOM 974 O PHE A 63 -0.917 2.567 -2.924 1.00 0.00 O ATOM 975 CB PHE A 63 -2.846 0.316 -1.873 1.00 0.00 C ATOM 976 CG PHE A 63 -1.785 0.447 -0.815 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.511 -0.007 -1.042 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.075 1.025 0.429 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.443 0.099 -0.086 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.106 1.127 1.384 1.00 0.00 C ATOM 981 CZ PHE A 63 0.151 0.666 1.133 1.00 0.00 C ATOM 0 H PHE A 63 -0.541 0.129 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.428 0.625 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.704 0.912 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.172 -0.724 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.265 -0.454 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.070 1.391 0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.441 -0.265 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.336 1.574 2.340 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.917 0.745 1.890 1.00 0.00 H new ATOM 991 N MET A 64 -2.565 2.901 -4.349 1.00 0.00 N ATOM 992 CA MET A 64 -2.180 4.294 -4.564 1.00 0.00 C ATOM 993 C MET A 64 -3.026 5.155 -3.678 1.00 0.00 C ATOM 994 O MET A 64 -4.212 5.365 -3.950 1.00 0.00 O ATOM 995 CB MET A 64 -2.300 4.685 -6.047 1.00 0.00 C ATOM 996 CG MET A 64 -1.852 6.094 -6.398 1.00 0.00 C ATOM 997 SD MET A 64 -1.744 6.329 -8.178 1.00 0.00 S ATOM 998 CE MET A 64 -1.007 7.960 -8.261 1.00 0.00 C ATOM 0 H MET A 64 -3.334 2.573 -4.934 1.00 0.00 H new ATOM 0 HA MET A 64 -1.131 4.438 -4.304 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.715 3.980 -6.638 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.340 4.569 -6.351 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.553 6.815 -5.977 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.881 6.291 -5.945 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.309 8.002 -9.097 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.789 8.706 -8.404 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.474 8.166 -7.333 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.431 5.623 -2.613 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.143 6.317 -1.581 1.00 0.00 C ATOM 1010 C LEU A 65 -3.090 7.795 -1.728 1.00 0.00 C ATOM 1011 O LEU A 65 -2.117 8.356 -2.207 1.00 0.00 O ATOM 1012 CB LEU A 65 -2.844 5.822 -0.136 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.435 5.948 0.465 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.355 5.277 -0.340 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -1.071 7.364 0.890 1.00 0.00 C ATOM 0 H LEU A 65 -1.430 5.531 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.186 6.041 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.525 6.351 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.115 4.767 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.492 5.373 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.606 5.414 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.571 4.212 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.317 5.718 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.063 7.372 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.113 8.026 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.776 7.710 1.646 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.141 8.407 -1.342 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.280 9.841 -1.575 1.00 0.00 C ATOM 1029 C ARG A 66 -4.473 10.727 -0.309 1.00 0.00 C ATOM 1030 O ARG A 66 -3.677 11.612 -0.112 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.228 10.170 -2.787 1.00 0.00 C ATOM 1032 CG ARG A 66 -5.362 11.659 -3.141 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.303 12.380 -2.211 1.00 0.00 C ATOM 1034 NE ARG A 66 -6.210 13.827 -2.306 1.00 0.00 N ATOM 1035 CZ ARG A 66 -6.737 14.663 -1.408 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -7.611 14.206 -0.509 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -6.443 15.952 -1.454 1.00 0.00 N ATOM 0 H ARG A 66 -4.928 7.967 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.288 10.162 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.863 9.638 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.220 9.777 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.380 12.131 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.720 11.757 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.326 12.074 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.093 12.076 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.715 14.226 -3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.875 13.221 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.015 14.842 0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.814 16.306 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.845 16.592 -0.769 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.534 10.520 0.530 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.769 11.365 1.770 1.00 0.00 C ATOM 1053 C ASP A 67 -4.552 11.647 2.706 1.00 0.00 C ATOM 1054 O ASP A 67 -4.673 12.495 3.594 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.888 10.788 2.639 1.00 0.00 C ATOM 1056 CG ASP A 67 -8.242 10.888 2.024 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -8.594 10.018 1.207 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -8.994 11.839 2.337 1.00 0.00 O ATOM 0 H ASP A 67 -6.234 9.793 0.384 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.028 12.325 1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.670 9.740 2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.895 11.308 3.597 1.00 0.00 H new ATOM 1063 N GLY A 68 -3.392 10.998 2.507 1.00 0.00 N ATOM 1064 CA GLY A 68 -2.289 11.153 3.428 1.00 0.00 C ATOM 1065 C GLY A 68 -2.624 10.749 4.855 1.00 0.00 C ATOM 1066 O GLY A 68 -2.076 11.327 5.782 1.00 0.00 O ATOM 0 H GLY A 68 -3.210 10.372 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.448 10.554 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.964 12.194 3.421 1.00 0.00 H new ATOM 1070 N SER A 69 -3.553 9.807 5.048 1.00 0.00 N ATOM 1071 CA SER A 69 -3.909 9.410 6.404 1.00 0.00 C ATOM 1072 C SER A 69 -4.363 7.920 6.558 1.00 0.00 C ATOM 1073 O SER A 69 -5.295 7.668 7.327 1.00 0.00 O ATOM 1074 CB SER A 69 -5.033 10.350 6.862 1.00 0.00 C ATOM 1075 OG SER A 69 -6.071 10.410 5.882 1.00 0.00 O ATOM 0 H SER A 69 -4.056 9.321 4.305 1.00 0.00 H new ATOM 0 HA SER A 69 -3.013 9.487 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.441 10.002 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.631 11.348 7.035 1.00 0.00 H new ATOM 0 HG SER A 69 -6.779 11.012 6.192 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.674 6.913 5.918 1.00 0.00 N ATOM 1082 CA TYR A 70 -4.177 5.510 6.029 1.00 0.00 C ATOM 1083 C TYR A 70 -3.303 4.383 5.432 1.00 0.00 C ATOM 1084 O TYR A 70 -3.610 3.210 5.647 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.648 5.353 5.516 1.00 0.00 C ATOM 1086 CG TYR A 70 -6.034 6.032 4.182 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.163 6.147 3.092 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -7.319 6.509 4.017 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.570 6.728 1.912 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.727 7.092 2.842 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.852 7.201 1.800 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.254 7.794 0.639 1.00 0.00 O ATOM 0 H TYR A 70 -2.829 7.038 5.360 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.126 5.360 7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.854 4.287 5.419 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.313 5.737 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.153 5.773 3.178 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.021 6.422 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.885 6.811 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.737 7.463 2.743 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.876 8.524 0.843 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.199 4.699 4.787 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.483 3.692 3.992 1.00 0.00 C ATOM 1104 C ALA A 71 -0.709 2.667 4.811 1.00 0.00 C ATOM 1105 O ALA A 71 -0.659 1.490 4.466 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.548 4.350 2.991 1.00 0.00 C ATOM 0 H ALA A 71 -1.774 5.626 4.789 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.268 3.142 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.031 3.581 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.125 4.982 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.183 4.959 3.522 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.148 3.063 5.908 1.00 0.00 N ATOM 1113 CA TRP A 72 0.773 2.175 6.555 1.00 0.00 C ATOM 1114 C TRP A 72 0.150 1.205 7.538 1.00 0.00 C ATOM 1115 O TRP A 72 0.745 0.166 7.925 1.00 0.00 O ATOM 1116 CB TRP A 72 2.102 2.869 6.889 1.00 0.00 C ATOM 1117 CG TRP A 72 2.638 3.329 5.559 1.00 0.00 C ATOM 1118 CD1 TRP A 72 3.012 2.513 4.558 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.770 4.677 5.029 1.00 0.00 C ATOM 1120 NE1 TRP A 72 3.308 3.228 3.463 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.187 4.545 3.714 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.573 5.948 5.520 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.400 5.629 2.865 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.794 7.039 4.679 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.201 6.851 3.350 1.00 0.00 C ATOM 0 H TRP A 72 -0.301 3.962 6.365 1.00 0.00 H new ATOM 0 HA TRP A 72 1.100 1.426 5.834 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.951 3.709 7.567 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.794 2.184 7.379 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.066 1.437 4.626 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.586 2.830 2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.252 6.098 6.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.717 5.481 1.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.650 8.041 5.056 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.355 7.709 2.713 1.00 0.00 H new ATOM 1136 N GLU A 73 -1.101 1.467 7.830 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.929 0.512 8.521 1.00 0.00 C ATOM 1138 C GLU A 73 -2.216 -0.601 7.506 1.00 0.00 C ATOM 1139 O GLU A 73 -2.167 -1.823 7.816 1.00 0.00 O ATOM 1140 CB GLU A 73 -3.241 1.167 8.950 1.00 0.00 C ATOM 1141 CG GLU A 73 -4.184 0.231 9.680 1.00 0.00 C ATOM 1142 CD GLU A 73 -5.499 0.874 9.992 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -5.603 1.567 11.030 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -6.459 0.704 9.216 1.00 0.00 O ATOM 0 H GLU A 73 -1.570 2.342 7.597 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.439 0.131 9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.018 2.017 9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.746 1.560 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.353 -0.658 9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.716 -0.101 10.607 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.426 -0.166 6.249 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.670 -1.087 5.186 1.00 0.00 C ATOM 1153 C ILE A 74 -1.394 -1.949 4.986 1.00 0.00 C ATOM 1154 O ILE A 74 -1.473 -3.154 4.759 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.089 -0.418 3.821 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.199 0.619 4.019 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.681 -1.507 2.990 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.437 1.529 2.832 1.00 0.00 C ATOM 0 H ILE A 74 -2.427 0.816 5.972 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.527 -1.693 5.480 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.220 0.067 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.127 0.097 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.953 1.232 4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.992 -1.102 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.938 -2.289 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.546 -1.927 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.240 2.229 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.525 2.084 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.718 0.931 1.965 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.217 -1.302 5.151 1.00 0.00 N ATOM 1171 CA LYS A 75 1.099 -1.965 5.073 1.00 0.00 C ATOM 1172 C LYS A 75 1.196 -3.101 6.108 1.00 0.00 C ATOM 1173 O LYS A 75 1.728 -4.243 5.825 1.00 0.00 O ATOM 1174 CB LYS A 75 2.209 -0.924 5.307 1.00 0.00 C ATOM 1175 CG LYS A 75 3.619 -1.483 5.396 1.00 0.00 C ATOM 1176 CD LYS A 75 4.622 -0.385 5.724 1.00 0.00 C ATOM 1177 CE LYS A 75 6.010 -0.953 5.970 1.00 0.00 C ATOM 1178 NZ LYS A 75 6.051 -1.824 7.166 1.00 0.00 N ATOM 0 H LYS A 75 -0.157 -0.302 5.343 1.00 0.00 H new ATOM 0 HA LYS A 75 1.221 -2.403 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.176 -0.195 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.991 -0.386 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.659 -2.258 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.887 -1.955 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.661 0.331 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.290 0.161 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.328 -1.522 5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.719 -0.135 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.039 -1.969 7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.525 -1.373 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.617 -2.742 6.942 1.00 0.00 H new ATOM 1192 N ASP A 76 0.706 -2.806 7.297 1.00 0.00 N ATOM 1193 CA ASP A 76 0.652 -3.813 8.343 1.00 0.00 C ATOM 1194 C ASP A 76 -0.176 -5.016 7.880 1.00 0.00 C ATOM 1195 O ASP A 76 0.284 -6.188 7.997 1.00 0.00 O ATOM 1196 CB ASP A 76 0.094 -3.239 9.636 1.00 0.00 C ATOM 1197 CG ASP A 76 0.098 -4.245 10.756 1.00 0.00 C ATOM 1198 OD1 ASP A 76 1.143 -4.395 11.436 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -0.935 -4.889 10.995 1.00 0.00 O ATOM 0 H ASP A 76 0.344 -1.890 7.562 1.00 0.00 H new ATOM 0 HA ASP A 76 1.670 -4.147 8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.683 -2.370 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.925 -2.891 9.467 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.372 -4.742 7.294 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.219 -5.854 6.773 1.00 0.00 C ATOM 1206 C PHE A 77 -1.430 -6.695 5.769 1.00 0.00 C ATOM 1207 O PHE A 77 -1.468 -7.926 5.825 1.00 0.00 O ATOM 1208 CB PHE A 77 -3.498 -5.403 6.045 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.374 -4.392 6.743 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.618 -4.472 8.099 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -4.983 -3.377 6.017 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.445 -3.558 8.723 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.806 -2.462 6.637 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.037 -2.553 7.991 1.00 0.00 C ATOM 0 H PHE A 77 -1.760 -3.807 7.172 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.508 -6.412 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.208 -4.988 5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.101 -6.288 5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.157 -5.258 8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.810 -3.304 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.627 -3.632 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.269 -1.674 6.061 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.682 -1.837 8.479 1.00 0.00 H new ATOM 1224 N LEU A 78 -0.699 -6.007 4.870 1.00 0.00 N ATOM 1225 CA LEU A 78 0.088 -6.665 3.801 1.00 0.00 C ATOM 1226 C LEU A 78 0.909 -7.709 4.372 1.00 0.00 C ATOM 1227 O LEU A 78 0.681 -8.869 4.141 1.00 0.00 O ATOM 1228 CB LEU A 78 1.104 -5.762 3.161 1.00 0.00 C ATOM 1229 CG LEU A 78 0.750 -4.374 2.887 1.00 0.00 C ATOM 1230 CD1 LEU A 78 1.933 -3.706 2.316 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -0.386 -4.299 1.972 1.00 0.00 C ATOM 0 H LEU A 78 -0.635 -4.989 4.861 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.657 -7.002 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.986 -5.755 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.399 -6.218 2.216 1.00 0.00 H new ATOM 0 HG LEU A 78 0.451 -3.875 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.694 -2.664 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.756 -3.750 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.225 -4.209 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.632 -3.254 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.129 -4.788 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.246 -4.799 2.418 1.00 0.00 H new ATOM 1243 N VAL A 79 1.833 -7.306 5.201 1.00 0.00 N ATOM 1244 CA VAL A 79 2.793 -8.262 5.656 1.00 0.00 C ATOM 1245 C VAL A 79 2.284 -9.197 6.719 1.00 0.00 C ATOM 1246 O VAL A 79 2.969 -10.135 7.128 1.00 0.00 O ATOM 1247 CB VAL A 79 4.153 -7.669 5.939 1.00 0.00 C ATOM 1248 CG1 VAL A 79 4.730 -7.197 4.609 1.00 0.00 C ATOM 1249 CG2 VAL A 79 4.037 -6.525 6.913 1.00 0.00 C ATOM 0 H VAL A 79 1.938 -6.358 5.562 1.00 0.00 H new ATOM 0 HA VAL A 79 2.956 -8.917 4.800 1.00 0.00 H new ATOM 0 HB VAL A 79 4.810 -8.411 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.715 -6.761 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.817 -8.044 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.070 -6.447 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.026 -6.109 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.394 -5.752 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.606 -6.885 7.847 1.00 0.00 H new ATOM 1259 N SER A 80 1.086 -8.959 7.173 1.00 0.00 N ATOM 1260 CA SER A 80 0.428 -9.936 7.972 1.00 0.00 C ATOM 1261 C SER A 80 -0.320 -10.956 7.051 1.00 0.00 C ATOM 1262 O SER A 80 -0.544 -12.104 7.440 1.00 0.00 O ATOM 1263 CB SER A 80 -0.543 -9.253 8.927 1.00 0.00 C ATOM 1264 OG SER A 80 0.125 -8.240 9.686 1.00 0.00 O ATOM 0 H SER A 80 0.555 -8.105 7.003 1.00 0.00 H new ATOM 0 HA SER A 80 1.165 -10.481 8.562 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.365 -8.810 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.979 -9.991 9.600 1.00 0.00 H new ATOM 0 HG SER A 80 0.118 -7.398 9.185 1.00 0.00 H new ATOM 1270 N GLN A 81 -0.635 -10.555 5.808 1.00 0.00 N ATOM 1271 CA GLN A 81 -1.487 -11.380 4.903 1.00 0.00 C ATOM 1272 C GLN A 81 -0.828 -11.892 3.578 1.00 0.00 C ATOM 1273 O GLN A 81 -1.152 -13.001 3.133 1.00 0.00 O ATOM 1274 CB GLN A 81 -2.828 -10.677 4.568 1.00 0.00 C ATOM 1275 CG GLN A 81 -3.966 -10.808 5.606 1.00 0.00 C ATOM 1276 CD GLN A 81 -3.696 -10.179 6.957 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -3.183 -10.822 7.866 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -4.076 -8.947 7.118 1.00 0.00 N ATOM 0 H GLN A 81 -0.321 -9.675 5.400 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.654 -12.275 5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.626 -9.616 4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.189 -11.070 3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.867 -10.358 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.178 -11.867 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.500 -8.438 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.950 -8.488 8.020 1.00 0.00 H new ATOM 1287 N ASP A 82 0.060 -11.125 2.938 1.00 0.00 N ATOM 1288 CA ASP A 82 0.657 -11.533 1.605 1.00 0.00 C ATOM 1289 C ASP A 82 1.812 -12.555 1.787 1.00 0.00 C ATOM 1290 O ASP A 82 2.576 -12.807 0.850 1.00 0.00 O ATOM 1291 CB ASP A 82 1.236 -10.274 0.868 1.00 0.00 C ATOM 1292 CG ASP A 82 2.683 -9.869 1.264 1.00 0.00 C ATOM 1293 OD1 ASP A 82 2.869 -9.210 2.274 1.00 0.00 O ATOM 1294 OD2 ASP A 82 3.659 -10.229 0.523 1.00 0.00 O ATOM 0 H ASP A 82 0.395 -10.228 3.291 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.141 -11.991 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.211 -10.461 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.576 -9.428 1.060 1.00 0.00 H new ATOM 1299 N ARG A 83 1.773 -13.284 2.896 1.00 0.00 N ATOM 1300 CA ARG A 83 2.941 -13.892 3.521 1.00 0.00 C ATOM 1301 C ARG A 83 3.687 -12.734 4.157 1.00 0.00 C ATOM 1302 O ARG A 83 3.462 -12.473 5.341 1.00 0.00 O ATOM 1303 CB ARG A 83 3.846 -14.744 2.592 1.00 0.00 C ATOM 1304 CG ARG A 83 5.037 -15.377 3.310 1.00 0.00 C ATOM 1305 CD ARG A 83 5.916 -16.178 2.362 1.00 0.00 C ATOM 1306 NE ARG A 83 5.213 -17.327 1.769 1.00 0.00 N ATOM 1307 CZ ARG A 83 5.700 -18.114 0.797 1.00 0.00 C ATOM 1308 NH1 ARG A 83 6.888 -17.860 0.245 1.00 0.00 N ATOM 1309 NH2 ARG A 83 4.985 -19.147 0.374 1.00 0.00 N ATOM 0 H ARG A 83 0.906 -13.473 3.398 1.00 0.00 H new ATOM 0 HA ARG A 83 2.616 -14.641 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.246 -15.532 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.214 -14.115 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.632 -14.596 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.676 -16.028 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.273 -15.525 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.794 -16.533 2.901 1.00 0.00 H new ATOM 0 HE ARG A 83 4.282 -17.542 2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.437 -17.060 0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.247 -18.466 -0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.072 -19.339 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.348 -19.750 -0.364 1.00 0.00 H new ATOM 1323 N CYS A 84 4.498 -12.001 3.335 1.00 0.00 N ATOM 1324 CA CYS A 84 5.172 -10.724 3.697 1.00 0.00 C ATOM 1325 C CYS A 84 6.371 -10.417 2.783 1.00 0.00 C ATOM 1326 O CYS A 84 7.490 -10.866 3.058 1.00 0.00 O ATOM 1327 CB CYS A 84 5.628 -10.667 5.162 1.00 0.00 C ATOM 1328 SG CYS A 84 6.643 -12.074 5.727 1.00 0.00 S ATOM 0 H CYS A 84 4.703 -12.294 2.380 1.00 0.00 H new ATOM 0 HA CYS A 84 4.407 -9.961 3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 84 6.196 -9.749 5.311 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.744 -10.602 5.797 1.00 0.00 H new ATOM 0 HG CYS A 84 7.589 -12.301 4.864 1.00 0.00 H new ATOM 1334 N ALA A 85 6.171 -9.728 1.662 1.00 0.00 N ATOM 1335 CA ALA A 85 7.318 -9.404 0.857 1.00 0.00 C ATOM 1336 C ALA A 85 7.798 -7.935 0.787 1.00 0.00 C ATOM 1337 O ALA A 85 8.749 -7.595 1.500 1.00 0.00 O ATOM 1338 CB ALA A 85 7.308 -10.110 -0.457 1.00 0.00 C ATOM 0 H ALA A 85 5.270 -9.402 1.313 1.00 0.00 H new ATOM 0 HA ALA A 85 8.128 -9.816 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.195 -9.831 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.307 -11.187 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.415 -9.828 -1.015 1.00 0.00 H new ATOM 1344 N GLU A 86 7.175 -7.038 0.004 1.00 0.00 N ATOM 1345 CA GLU A 86 7.851 -5.786 -0.270 1.00 0.00 C ATOM 1346 C GLU A 86 6.900 -4.632 -0.456 1.00 0.00 C ATOM 1347 O GLU A 86 5.982 -4.682 -1.257 1.00 0.00 O ATOM 1348 CB GLU A 86 8.740 -5.953 -1.511 1.00 0.00 C ATOM 1349 CG GLU A 86 9.468 -4.705 -1.975 1.00 0.00 C ATOM 1350 CD GLU A 86 10.264 -4.945 -3.224 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.391 -5.487 -3.144 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.780 -4.607 -4.317 1.00 0.00 O ATOM 0 H GLU A 86 6.256 -7.155 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 86 8.460 -5.543 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.480 -6.726 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.121 -6.316 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.744 -3.910 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.133 -4.359 -1.184 1.00 0.00 H new ATOM 1359 N VAL A 87 7.138 -3.612 0.291 1.00 0.00 N ATOM 1360 CA VAL A 87 6.408 -2.388 0.203 1.00 0.00 C ATOM 1361 C VAL A 87 7.325 -1.269 -0.355 1.00 0.00 C ATOM 1362 O VAL A 87 8.426 -1.055 0.168 1.00 0.00 O ATOM 1363 CB VAL A 87 5.864 -2.009 1.628 1.00 0.00 C ATOM 1364 CG1 VAL A 87 6.963 -2.103 2.677 1.00 0.00 C ATOM 1365 CG2 VAL A 87 5.281 -0.618 1.644 1.00 0.00 C ATOM 0 H VAL A 87 7.868 -3.602 1.003 1.00 0.00 H new ATOM 0 HA VAL A 87 5.564 -2.506 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 87 5.077 -2.724 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.558 -1.835 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.348 -3.122 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.771 -1.419 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.914 -0.389 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.050 0.102 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.456 -0.561 0.933 1.00 0.00 H new ATOM 1375 N THR A 88 6.937 -0.626 -1.453 1.00 0.00 N ATOM 1376 CA THR A 88 7.659 0.546 -1.896 1.00 0.00 C ATOM 1377 C THR A 88 6.786 1.757 -2.030 1.00 0.00 C ATOM 1378 O THR A 88 5.909 1.870 -2.933 1.00 0.00 O ATOM 1379 CB THR A 88 8.562 0.382 -3.127 1.00 0.00 C ATOM 1380 OG1 THR A 88 7.863 -0.238 -4.219 1.00 0.00 O ATOM 1381 CG2 THR A 88 9.787 -0.414 -2.782 1.00 0.00 C ATOM 0 H THR A 88 6.144 -0.894 -2.036 1.00 0.00 H new ATOM 0 HA THR A 88 8.355 0.700 -1.071 1.00 0.00 H new ATOM 0 HB THR A 88 8.864 1.380 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.950 -0.458 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.414 -0.519 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.346 0.100 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.491 -1.401 -2.427 1.00 0.00 H new ATOM 1389 N LEU A 89 7.038 2.654 -1.136 1.00 0.00 N ATOM 1390 CA LEU A 89 6.369 3.911 -1.019 1.00 0.00 C ATOM 1391 C LEU A 89 6.918 4.818 -2.123 1.00 0.00 C ATOM 1392 O LEU A 89 7.953 4.520 -2.701 1.00 0.00 O ATOM 1393 CB LEU A 89 6.631 4.571 0.394 1.00 0.00 C ATOM 1394 CG LEU A 89 6.207 3.811 1.704 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.824 2.441 1.831 1.00 0.00 C ATOM 1396 CD2 LEU A 89 6.605 4.615 2.917 1.00 0.00 C ATOM 0 H LEU A 89 7.758 2.524 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 89 5.293 3.770 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.700 4.771 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.125 5.536 0.400 1.00 0.00 H new ATOM 0 HG LEU A 89 5.126 3.688 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.488 1.975 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.521 1.825 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.910 2.531 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.308 4.082 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.685 4.759 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.110 5.585 2.889 1.00 0.00 H new