USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 23 LYS NZ :NH3+ -177:sc=-0.00824 (180deg=-0.03) USER MOD Set 1.2: A 63 MET CE :methyl 173:sc= -0.968 (180deg=-1.05) USER MOD Set 2.1: A 31 HIS :FLIP no HD1:sc= -0.0322 F(o=-20!,f=-14) USER MOD Set 2.2: A 32 ASN : amide:sc= 1.7 K(o=-14,f=-20!) USER MOD Set 2.3: A 35 CYS SG : rot -127:sc= -4.99! USER MOD Set 2.4: A 42 GLN :FLIP amide:sc= -3.37 F(o=-16!,f=-14) USER MOD Set 2.5: A 45 MET CE :methyl 138:sc= -1.86 (180deg=0) USER MOD Set 2.6: A 49 HIS : no HE2:sc= -5.6! C(o=-14!,f=-16!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 158:sc= -0.623 (180deg=-2.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.33) USER MOD Single : A 38 ASN : amide:sc= 0.706 K(o=0.71,f=-5.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc=-0.00682 (180deg=-0.00682) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -34:sc= 0.254 USER MOD Single : A 56 GLN : amide:sc= 0.334 K(o=0.33,f=-2.8!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00649) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000978) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 79 SER OG : rot 77:sc= 1.3 USER MOD Single : A 83 THR OG1 : rot -78:sc= 1.05 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.695 K(o=-0.69,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.943 9.118 16.494 1.00 0.00 N ATOM 285 CA TYR A 18 5.870 10.207 16.162 1.00 0.00 C ATOM 286 C TYR A 18 7.365 9.883 16.202 1.00 0.00 C ATOM 287 O TYR A 18 8.174 10.631 15.665 1.00 0.00 O ATOM 288 CB TYR A 18 5.568 11.513 16.958 1.00 0.00 C ATOM 289 CG TYR A 18 4.161 11.964 16.622 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.904 12.441 15.343 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.097 11.865 17.512 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.621 12.752 14.942 1.00 0.00 C ATOM 293 CE2 TYR A 18 1.814 12.189 17.108 1.00 0.00 C ATOM 294 CZ TYR A 18 1.571 12.589 15.815 1.00 0.00 C ATOM 295 OH TYR A 18 0.252 12.768 15.353 1.00 0.00 O ATOM 0 HA TYR A 18 5.660 10.367 15.105 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.663 11.335 18.029 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.287 12.290 16.699 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.723 12.571 14.651 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.273 11.533 18.525 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.442 13.123 13.944 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.998 12.127 17.813 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.376 12.616 16.090 1.00 0.00 H new ATOM 305 N ASP A 19 7.764 8.759 16.856 1.00 0.00 N ATOM 306 CA ASP A 19 9.120 8.206 16.843 1.00 0.00 C ATOM 307 C ASP A 19 9.195 7.089 15.781 1.00 0.00 C ATOM 308 O ASP A 19 9.885 7.205 14.772 1.00 0.00 O ATOM 309 CB ASP A 19 9.527 7.693 18.262 1.00 0.00 C ATOM 310 CG ASP A 19 11.012 7.316 18.373 1.00 0.00 C ATOM 311 OD1 ASP A 19 11.867 8.218 18.166 1.00 0.00 O ATOM 312 OD2 ASP A 19 11.301 6.124 18.661 1.00 0.00 O ATOM 0 H ASP A 19 7.120 8.205 17.421 1.00 0.00 H new ATOM 0 HA ASP A 19 9.834 8.986 16.579 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.300 8.464 18.998 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.920 6.824 18.514 1.00 0.00 H new ATOM 317 N MET A 20 8.430 5.980 16.007 1.00 0.00 N ATOM 318 CA MET A 20 8.310 4.731 15.234 1.00 0.00 C ATOM 319 C MET A 20 7.933 4.827 13.766 1.00 0.00 C ATOM 320 O MET A 20 8.484 4.111 12.928 1.00 0.00 O ATOM 321 CB MET A 20 7.377 3.753 16.041 1.00 0.00 C ATOM 322 CG MET A 20 6.221 3.005 15.327 1.00 0.00 C ATOM 323 SD MET A 20 6.568 1.306 14.773 1.00 0.00 S ATOM 324 CE MET A 20 8.165 1.346 13.910 1.00 0.00 C ATOM 0 H MET A 20 7.822 5.948 16.825 1.00 0.00 H new ATOM 0 HA MET A 20 9.325 4.344 15.140 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.018 2.997 16.495 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.935 4.327 16.855 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.366 2.975 16.003 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.921 3.592 14.459 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.600 0.347 13.904 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.016 1.683 12.884 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.839 2.032 14.423 1.00 0.00 H new ATOM 334 N VAL A 21 7.024 5.765 13.386 1.00 0.00 N ATOM 335 CA VAL A 21 6.665 6.010 11.959 1.00 0.00 C ATOM 336 C VAL A 21 7.729 6.732 11.180 1.00 0.00 C ATOM 337 O VAL A 21 7.828 6.514 9.982 1.00 0.00 O ATOM 338 CB VAL A 21 5.249 6.438 11.563 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.246 5.513 12.278 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.958 7.939 11.821 1.00 0.00 C ATOM 0 H VAL A 21 6.527 6.364 14.045 1.00 0.00 H new ATOM 0 HA VAL A 21 6.623 4.967 11.644 1.00 0.00 H new ATOM 0 HB VAL A 21 5.145 6.331 10.483 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.230 5.801 12.009 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.423 4.481 11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.375 5.601 13.357 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.937 8.169 11.517 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.078 8.156 12.883 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.654 8.549 11.245 1.00 0.00 H new ATOM 350 N VAL A 22 8.548 7.623 11.811 1.00 0.00 N ATOM 351 CA VAL A 22 9.631 8.408 11.177 1.00 0.00 C ATOM 352 C VAL A 22 10.654 7.589 10.350 1.00 0.00 C ATOM 353 O VAL A 22 11.050 8.035 9.278 1.00 0.00 O ATOM 354 CB VAL A 22 10.314 9.334 12.194 1.00 0.00 C ATOM 355 CG1 VAL A 22 11.519 10.125 11.625 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.260 10.327 12.724 1.00 0.00 C ATOM 0 H VAL A 22 8.463 7.815 12.809 1.00 0.00 H new ATOM 0 HA VAL A 22 9.129 9.021 10.428 1.00 0.00 H new ATOM 0 HB VAL A 22 10.718 8.699 12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.943 10.754 12.407 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.277 9.427 11.269 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.185 10.751 10.797 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.723 10.996 13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.861 10.911 11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.450 9.777 13.203 1.00 0.00 H new ATOM 366 N LYS A 23 11.047 6.342 10.756 1.00 0.00 N ATOM 367 CA LYS A 23 11.806 5.412 9.889 1.00 0.00 C ATOM 368 C LYS A 23 11.012 4.732 8.767 1.00 0.00 C ATOM 369 O LYS A 23 11.544 4.442 7.702 1.00 0.00 O ATOM 370 CB LYS A 23 12.629 4.357 10.683 1.00 0.00 C ATOM 371 CG LYS A 23 11.804 3.376 11.537 1.00 0.00 C ATOM 372 CD LYS A 23 12.140 3.439 13.031 1.00 0.00 C ATOM 373 CE LYS A 23 11.775 4.787 13.661 1.00 0.00 C ATOM 374 NZ LYS A 23 11.981 4.758 15.126 1.00 0.00 N ATOM 0 H LYS A 23 10.845 5.967 11.683 1.00 0.00 H new ATOM 0 HA LYS A 23 12.496 6.091 9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.227 3.782 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.326 4.882 11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.744 3.590 11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.973 2.361 11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.609 2.643 13.553 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.206 3.255 13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.384 5.576 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.735 5.026 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.679 5.664 15.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.420 3.986 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.989 4.603 15.332 1.00 0.00 H new ATOM 388 N ILE A 24 9.694 4.454 8.977 1.00 0.00 N ATOM 389 CA ILE A 24 8.759 3.915 7.984 1.00 0.00 C ATOM 390 C ILE A 24 8.264 4.944 6.970 1.00 0.00 C ATOM 391 O ILE A 24 8.133 4.602 5.805 1.00 0.00 O ATOM 392 CB ILE A 24 7.682 2.996 8.576 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.245 1.537 8.592 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.300 3.118 7.856 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.387 0.588 9.435 1.00 0.00 C ATOM 0 H ILE A 24 9.251 4.610 9.882 1.00 0.00 H new ATOM 0 HA ILE A 24 9.354 3.237 7.373 1.00 0.00 H new ATOM 0 HB ILE A 24 7.465 3.309 9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.301 1.161 7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.262 1.547 8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.585 2.442 8.324 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.937 4.143 7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.413 2.855 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.821 -0.412 9.413 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.352 0.946 10.464 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.376 0.553 9.029 1.00 0.00 H new ATOM 407 N ILE A 25 8.009 6.244 7.304 1.00 0.00 N ATOM 408 CA ILE A 25 7.544 7.280 6.336 1.00 0.00 C ATOM 409 C ILE A 25 8.403 7.452 5.074 1.00 0.00 C ATOM 410 O ILE A 25 7.882 7.734 4.003 1.00 0.00 O ATOM 411 CB ILE A 25 7.141 8.637 6.919 1.00 0.00 C ATOM 412 CG1 ILE A 25 8.304 9.312 7.670 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.876 8.437 7.784 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.842 10.453 8.576 1.00 0.00 C ATOM 0 H ILE A 25 8.121 6.601 8.253 1.00 0.00 H new ATOM 0 HA ILE A 25 6.612 6.814 6.017 1.00 0.00 H new ATOM 0 HB ILE A 25 6.900 9.333 6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.824 8.566 8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.023 9.697 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.571 9.393 8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.070 8.042 7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.093 7.734 8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.705 10.890 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.346 11.216 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.145 10.067 9.320 1.00 0.00 H new ATOM 426 N ASP A 26 9.740 7.188 5.183 1.00 0.00 N ATOM 427 CA ASP A 26 10.693 7.121 4.079 1.00 0.00 C ATOM 428 C ASP A 26 10.542 5.883 3.166 1.00 0.00 C ATOM 429 O ASP A 26 10.920 5.941 1.999 1.00 0.00 O ATOM 430 CB ASP A 26 12.160 7.176 4.595 1.00 0.00 C ATOM 431 CG ASP A 26 12.367 8.448 5.423 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.216 9.560 4.850 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.678 8.322 6.637 1.00 0.00 O ATOM 0 H ASP A 26 10.180 7.012 6.086 1.00 0.00 H new ATOM 0 HA ASP A 26 10.459 7.997 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.376 6.296 5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.853 7.161 3.754 1.00 0.00 H new ATOM 438 N VAL A 27 9.961 4.744 3.677 1.00 0.00 N ATOM 439 CA VAL A 27 9.733 3.418 3.059 1.00 0.00 C ATOM 440 C VAL A 27 8.775 3.458 1.856 1.00 0.00 C ATOM 441 O VAL A 27 9.081 2.963 0.774 1.00 0.00 O ATOM 442 CB VAL A 27 9.466 2.308 4.129 1.00 0.00 C ATOM 443 CG1 VAL A 27 8.024 2.006 4.527 1.00 0.00 C ATOM 444 CG2 VAL A 27 10.012 0.927 3.755 1.00 0.00 C ATOM 0 H VAL A 27 9.609 4.750 4.634 1.00 0.00 H new ATOM 0 HA VAL A 27 10.668 3.108 2.592 1.00 0.00 H new ATOM 0 HB VAL A 27 9.984 2.792 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.012 1.214 5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.565 2.904 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.464 1.684 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.784 0.218 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.549 0.592 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.092 0.987 3.621 1.00 0.00 H new ATOM 454 N LEU A 28 7.587 4.129 1.964 1.00 0.00 N ATOM 455 CA LEU A 28 6.639 4.363 0.863 1.00 0.00 C ATOM 456 C LEU A 28 7.090 5.395 -0.214 1.00 0.00 C ATOM 457 O LEU A 28 7.118 5.075 -1.403 1.00 0.00 O ATOM 458 CB LEU A 28 5.225 4.785 1.375 1.00 0.00 C ATOM 459 CG LEU A 28 4.326 3.654 1.963 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.934 2.864 3.134 1.00 0.00 C ATOM 461 CD2 LEU A 28 2.960 4.198 2.424 1.00 0.00 C ATOM 0 H LEU A 28 7.268 4.526 2.848 1.00 0.00 H new ATOM 0 HA LEU A 28 6.603 3.388 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.355 5.549 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.689 5.251 0.548 1.00 0.00 H new ATOM 0 HG LEU A 28 4.222 2.963 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.227 2.104 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.857 2.384 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.150 3.544 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.361 3.382 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.111 4.954 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.441 4.644 1.576 1.00 0.00 H new ATOM 473 N ARG A 29 7.515 6.654 0.150 1.00 0.00 N ATOM 474 CA ARG A 29 8.027 7.726 -0.770 1.00 0.00 C ATOM 475 C ARG A 29 9.218 7.364 -1.691 1.00 0.00 C ATOM 476 O ARG A 29 9.383 7.888 -2.794 1.00 0.00 O ATOM 477 CB ARG A 29 8.291 9.052 -0.005 1.00 0.00 C ATOM 478 CG ARG A 29 9.373 8.980 1.086 1.00 0.00 C ATOM 479 CD ARG A 29 9.580 10.293 1.864 1.00 0.00 C ATOM 480 NE ARG A 29 8.322 10.615 2.629 1.00 0.00 N ATOM 481 CZ ARG A 29 8.300 11.345 3.789 1.00 0.00 C ATOM 482 NH1 ARG A 29 9.451 11.820 4.345 1.00 0.00 N ATOM 483 NH2 ARG A 29 7.104 11.593 4.399 1.00 0.00 N ATOM 0 H ARG A 29 7.509 6.956 1.124 1.00 0.00 H new ATOM 0 HA ARG A 29 7.203 7.855 -1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.577 9.817 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.358 9.379 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.109 8.192 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.318 8.692 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.422 10.196 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.820 11.104 1.176 1.00 0.00 H new ATOM 0 HE ARG A 29 7.435 10.270 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.348 11.634 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.415 12.361 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.240 11.236 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.075 12.135 5.263 1.00 0.00 H new ATOM 497 N SER A 30 10.046 6.407 -1.205 1.00 0.00 N ATOM 498 CA SER A 30 11.263 5.792 -1.764 1.00 0.00 C ATOM 499 C SER A 30 10.947 4.919 -2.945 1.00 0.00 C ATOM 500 O SER A 30 11.571 5.052 -3.993 1.00 0.00 O ATOM 501 CB SER A 30 12.055 5.015 -0.660 1.00 0.00 C ATOM 502 OG SER A 30 13.087 4.112 -1.068 1.00 0.00 O ATOM 0 H SER A 30 9.844 5.999 -0.292 1.00 0.00 H new ATOM 0 HA SER A 30 11.907 6.594 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.504 5.752 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.333 4.449 -0.071 1.00 0.00 H new ATOM 0 HG SER A 30 13.494 3.702 -0.277 1.00 0.00 H new ATOM 508 N HIS A 31 9.886 4.059 -2.843 1.00 0.00 N ATOM 509 CA HIS A 31 9.328 3.341 -3.973 1.00 0.00 C ATOM 510 C HIS A 31 8.568 4.305 -4.880 1.00 0.00 C ATOM 511 O HIS A 31 8.619 4.161 -6.083 1.00 0.00 O ATOM 512 CB HIS A 31 8.459 2.094 -3.587 1.00 0.00 C ATOM 513 CG HIS A 31 7.041 2.311 -3.093 1.00 0.00 C ATOM 514 ND1 HIS A 31 6.486 2.090 -1.869 1.00 0.00 N flip ATOM 515 CD2 HIS A 31 6.007 2.764 -3.892 1.00 0.00 C flip ATOM 516 CE1 HIS A 31 5.134 2.415 -1.887 1.00 0.00 C flip ATOM 517 NE2 HIS A 31 4.904 2.819 -3.116 1.00 0.00 N flip ATOM 0 H HIS A 31 9.412 3.863 -1.961 1.00 0.00 H new ATOM 0 HA HIS A 31 10.173 2.921 -4.519 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.407 1.445 -4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.996 1.545 -2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.070 3.024 -4.938 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.429 2.350 -1.071 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.994 3.139 -3.447 1.00 0.00 H new ATOM 525 N ASN A 32 7.875 5.355 -4.343 1.00 0.00 N ATOM 526 CA ASN A 32 7.103 6.335 -5.108 1.00 0.00 C ATOM 527 C ASN A 32 7.872 7.257 -6.007 1.00 0.00 C ATOM 528 O ASN A 32 7.486 7.381 -7.167 1.00 0.00 O ATOM 529 CB ASN A 32 6.249 7.314 -4.240 1.00 0.00 C ATOM 530 CG ASN A 32 4.955 6.706 -3.756 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.922 7.070 -4.326 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.951 5.812 -2.746 1.00 0.00 N ATOM 0 H ASN A 32 7.849 5.531 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 32 6.501 5.638 -5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.837 7.633 -3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.027 8.207 -4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.071 5.409 -2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.828 5.539 -2.303 1.00 0.00 H new ATOM 539 N GLU A 33 8.974 7.901 -5.505 1.00 0.00 N ATOM 540 CA GLU A 33 9.858 8.830 -6.234 1.00 0.00 C ATOM 541 C GLU A 33 10.489 8.218 -7.479 1.00 0.00 C ATOM 542 O GLU A 33 10.652 8.833 -8.519 1.00 0.00 O ATOM 543 CB GLU A 33 10.889 9.511 -5.289 1.00 0.00 C ATOM 544 CG GLU A 33 11.977 8.605 -4.672 1.00 0.00 C ATOM 545 CD GLU A 33 13.235 8.495 -5.538 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.824 9.559 -5.868 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.633 7.346 -5.866 1.00 0.00 O ATOM 0 H GLU A 33 9.270 7.771 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 33 9.218 9.625 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.385 10.306 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.341 9.986 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.252 8.995 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.564 7.609 -4.515 1.00 0.00 H new ATOM 554 N ALA A 34 10.777 6.912 -7.359 1.00 0.00 N ATOM 555 CA ALA A 34 11.062 5.932 -8.381 1.00 0.00 C ATOM 556 C ALA A 34 9.881 5.412 -9.220 1.00 0.00 C ATOM 557 O ALA A 34 9.996 5.179 -10.418 1.00 0.00 O ATOM 558 CB ALA A 34 11.817 4.795 -7.698 1.00 0.00 C ATOM 0 H ALA A 34 10.816 6.485 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 34 11.651 6.439 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.057 4.025 -8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.739 5.180 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.196 4.366 -6.912 1.00 0.00 H new ATOM 564 N CYS A 35 8.695 5.139 -8.601 1.00 0.00 N ATOM 565 CA CYS A 35 7.490 4.536 -9.217 1.00 0.00 C ATOM 566 C CYS A 35 6.711 5.428 -10.155 1.00 0.00 C ATOM 567 O CYS A 35 6.167 4.938 -11.137 1.00 0.00 O ATOM 568 CB CYS A 35 6.562 3.712 -8.251 1.00 0.00 C ATOM 569 SG CYS A 35 5.174 4.510 -7.433 1.00 0.00 S ATOM 0 H CYS A 35 8.554 5.346 -7.612 1.00 0.00 H new ATOM 0 HA CYS A 35 7.951 3.789 -9.863 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.162 2.875 -8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.198 3.291 -7.472 1.00 0.00 H new ATOM 0 HG CYS A 35 5.244 4.297 -6.153 1.00 0.00 H new ATOM 575 N GLN A 36 6.740 6.770 -9.877 1.00 0.00 N ATOM 576 CA GLN A 36 6.198 7.941 -10.600 1.00 0.00 C ATOM 577 C GLN A 36 6.810 8.167 -11.980 1.00 0.00 C ATOM 578 O GLN A 36 6.377 8.990 -12.777 1.00 0.00 O ATOM 579 CB GLN A 36 6.203 9.241 -9.729 1.00 0.00 C ATOM 580 CG GLN A 36 7.535 9.772 -9.164 1.00 0.00 C ATOM 581 CD GLN A 36 8.356 10.519 -10.200 1.00 0.00 C ATOM 582 OE1 GLN A 36 8.051 11.632 -10.631 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.464 9.883 -10.626 1.00 0.00 N ATOM 0 H GLN A 36 7.208 7.082 -9.026 1.00 0.00 H new ATOM 0 HA GLN A 36 5.155 7.688 -10.791 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.762 10.037 -10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.535 9.071 -8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.330 10.434 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.119 8.937 -8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.697 8.962 -10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.070 10.323 -11.319 1.00 0.00 H new ATOM 592 N GLU A 37 7.906 7.423 -12.171 1.00 0.00 N ATOM 593 CA GLU A 37 8.831 7.305 -13.297 1.00 0.00 C ATOM 594 C GLU A 37 8.733 5.951 -14.009 1.00 0.00 C ATOM 595 O GLU A 37 9.319 5.733 -15.066 1.00 0.00 O ATOM 596 CB GLU A 37 10.268 7.498 -12.700 1.00 0.00 C ATOM 597 CG GLU A 37 11.444 6.551 -13.068 1.00 0.00 C ATOM 598 CD GLU A 37 12.156 6.944 -14.365 1.00 0.00 C ATOM 599 OE1 GLU A 37 11.727 7.923 -15.030 1.00 0.00 O ATOM 600 OE2 GLU A 37 13.156 6.255 -14.703 1.00 0.00 O ATOM 0 H GLU A 37 8.204 6.797 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 37 8.589 8.053 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.584 8.508 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.165 7.466 -11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.167 6.547 -12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.065 5.533 -13.164 1.00 0.00 H new ATOM 607 N ASN A 38 8.038 4.957 -13.417 1.00 0.00 N ATOM 608 CA ASN A 38 8.029 3.572 -13.785 1.00 0.00 C ATOM 609 C ASN A 38 6.577 3.148 -13.858 1.00 0.00 C ATOM 610 O ASN A 38 5.632 3.909 -13.689 1.00 0.00 O ATOM 611 CB ASN A 38 8.872 2.785 -12.725 1.00 0.00 C ATOM 612 CG ASN A 38 9.524 1.500 -13.255 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.037 0.872 -14.196 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.663 1.110 -12.619 1.00 0.00 N ATOM 0 H ASN A 38 7.434 5.140 -12.616 1.00 0.00 H new ATOM 0 HA ASN A 38 8.483 3.370 -14.755 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.653 3.441 -12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.227 2.530 -11.884 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.150 0.265 -12.918 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.029 1.663 -11.844 1.00 0.00 H new ATOM 621 N LYS A 39 6.376 1.864 -14.146 1.00 0.00 N ATOM 622 CA LYS A 39 5.133 1.161 -14.355 1.00 0.00 C ATOM 623 C LYS A 39 4.083 1.024 -13.245 1.00 0.00 C ATOM 624 O LYS A 39 3.338 0.053 -13.200 1.00 0.00 O ATOM 625 CB LYS A 39 5.587 -0.250 -14.822 1.00 0.00 C ATOM 626 CG LYS A 39 6.381 -1.036 -13.738 1.00 0.00 C ATOM 627 CD LYS A 39 5.543 -2.127 -13.049 1.00 0.00 C ATOM 628 CE LYS A 39 5.602 -3.509 -13.720 1.00 0.00 C ATOM 629 NZ LYS A 39 5.028 -3.506 -15.086 1.00 0.00 N ATOM 0 H LYS A 39 7.171 1.233 -14.247 1.00 0.00 H new ATOM 0 HA LYS A 39 4.562 1.782 -15.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.709 -0.829 -15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.207 -0.147 -15.713 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.256 -1.495 -14.198 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.746 -0.337 -12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.880 -2.226 -12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.504 -1.800 -13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.639 -3.842 -13.767 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.063 -4.230 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.093 -4.461 -15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.030 -3.215 -15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.557 -2.839 -15.683 1.00 0.00 H new ATOM 643 N ASP A 40 3.904 1.953 -12.286 1.00 0.00 N ATOM 644 CA ASP A 40 4.359 1.929 -10.871 1.00 0.00 C ATOM 645 C ASP A 40 4.850 0.618 -10.238 1.00 0.00 C ATOM 646 O ASP A 40 4.086 -0.285 -9.924 1.00 0.00 O ATOM 647 CB ASP A 40 3.083 2.267 -10.002 1.00 0.00 C ATOM 648 CG ASP A 40 2.213 3.287 -10.751 1.00 0.00 C ATOM 649 OD1 ASP A 40 2.761 4.348 -11.149 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.010 2.990 -10.978 1.00 0.00 O ATOM 0 H ASP A 40 3.396 2.813 -12.492 1.00 0.00 H new ATOM 0 HA ASP A 40 5.216 2.602 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.512 1.360 -9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.384 2.670 -9.035 1.00 0.00 H new ATOM 655 N LEU A 41 6.225 0.547 -10.072 1.00 0.00 N ATOM 656 CA LEU A 41 7.184 -0.524 -9.679 1.00 0.00 C ATOM 657 C LEU A 41 6.870 -1.466 -8.514 1.00 0.00 C ATOM 658 O LEU A 41 7.569 -2.434 -8.210 1.00 0.00 O ATOM 659 CB LEU A 41 8.592 0.092 -9.483 1.00 0.00 C ATOM 660 CG LEU A 41 8.811 0.846 -8.153 1.00 0.00 C ATOM 661 CD1 LEU A 41 9.384 -0.027 -7.028 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.762 2.005 -8.393 1.00 0.00 C ATOM 0 H LEU A 41 6.758 1.399 -10.246 1.00 0.00 H new ATOM 0 HA LEU A 41 7.102 -1.204 -10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.331 -0.706 -9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.786 0.780 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 41 7.828 1.183 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.509 0.575 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.700 -0.850 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.351 -0.427 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.923 2.543 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.715 1.624 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.332 2.681 -9.132 1.00 0.00 H new ATOM 674 N GLN A 42 5.734 -1.162 -7.890 1.00 0.00 N ATOM 675 CA GLN A 42 4.983 -1.755 -6.821 1.00 0.00 C ATOM 676 C GLN A 42 3.920 -2.804 -7.245 1.00 0.00 C ATOM 677 O GLN A 42 2.865 -2.684 -6.617 1.00 0.00 O ATOM 678 CB GLN A 42 4.435 -0.675 -5.840 1.00 0.00 C ATOM 679 CG GLN A 42 4.737 -0.888 -4.338 1.00 0.00 C ATOM 680 CD GLN A 42 3.681 -1.749 -3.651 1.00 0.00 C ATOM 681 OE1 GLN A 42 2.930 -1.166 -2.685 1.00 0.00 O flip ATOM 682 NE2 GLN A 42 3.542 -2.934 -3.938 1.00 0.00 N flip ATOM 0 H GLN A 42 5.240 -0.326 -8.201 1.00 0.00 H new ATOM 0 HA GLN A 42 5.705 -2.361 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.842 0.292 -6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.354 -0.618 -5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.714 -1.360 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.793 0.080 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.118 -3.353 -4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.851 -3.500 -3.446 1.00 0.00 H new ATOM 691 N PRO A 43 3.892 -3.749 -8.262 1.00 0.00 N ATOM 692 CA PRO A 43 2.781 -4.685 -8.527 1.00 0.00 C ATOM 693 C PRO A 43 2.130 -5.425 -7.319 1.00 0.00 C ATOM 694 O PRO A 43 0.943 -5.727 -7.407 1.00 0.00 O ATOM 695 CB PRO A 43 3.380 -5.735 -9.487 1.00 0.00 C ATOM 696 CG PRO A 43 4.379 -4.934 -10.308 1.00 0.00 C ATOM 697 CD PRO A 43 4.917 -3.922 -9.288 1.00 0.00 C ATOM 0 HA PRO A 43 1.953 -4.088 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.865 -6.546 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.614 -6.187 -10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.172 -5.565 -10.710 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.904 -4.441 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.846 -4.280 -8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.140 -2.971 -9.772 1.00 0.00 H new ATOM 705 N TYR A 44 2.923 -5.671 -6.233 1.00 0.00 N ATOM 706 CA TYR A 44 2.595 -6.190 -4.913 1.00 0.00 C ATOM 707 C TYR A 44 3.832 -6.006 -4.003 1.00 0.00 C ATOM 708 O TYR A 44 4.962 -5.958 -4.489 1.00 0.00 O ATOM 709 CB TYR A 44 2.252 -7.730 -4.842 1.00 0.00 C ATOM 710 CG TYR A 44 1.050 -8.157 -5.681 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.254 -7.990 -5.217 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.214 -8.707 -6.954 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.338 -8.399 -5.975 1.00 0.00 C ATOM 714 CE2 TYR A 44 0.126 -9.074 -7.721 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.149 -8.929 -7.233 1.00 0.00 C ATOM 716 OH TYR A 44 -2.240 -9.300 -8.046 1.00 0.00 O ATOM 0 H TYR A 44 3.923 -5.479 -6.294 1.00 0.00 H new ATOM 0 HA TYR A 44 1.704 -5.639 -4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.124 -8.298 -5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.066 -7.999 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.421 -7.535 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.210 -8.848 -7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.338 -8.302 -5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.279 -9.478 -8.711 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.908 -9.653 -8.898 1.00 0.00 H new ATOM 726 N MET A 45 3.616 -5.978 -2.663 1.00 0.00 N ATOM 727 CA MET A 45 4.571 -5.995 -1.541 1.00 0.00 C ATOM 728 C MET A 45 3.778 -6.608 -0.357 1.00 0.00 C ATOM 729 O MET A 45 2.555 -6.451 -0.347 1.00 0.00 O ATOM 730 CB MET A 45 5.171 -4.609 -1.055 1.00 0.00 C ATOM 731 CG MET A 45 6.138 -3.872 -2.031 1.00 0.00 C ATOM 732 SD MET A 45 6.736 -2.183 -1.650 1.00 0.00 S ATOM 733 CE MET A 45 5.455 -1.203 -0.797 1.00 0.00 C ATOM 0 H MET A 45 2.660 -5.939 -2.311 1.00 0.00 H new ATOM 0 HA MET A 45 5.447 -6.544 -1.886 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.340 -3.940 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.701 -4.780 -0.118 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.017 -4.505 -2.151 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.643 -3.827 -3.001 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.912 -0.632 0.011 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.988 -0.519 -1.506 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.698 -1.872 -0.386 1.00 0.00 H new ATOM 743 N PRO A 46 4.329 -7.355 0.640 1.00 0.00 N ATOM 744 CA PRO A 46 3.605 -7.792 1.855 1.00 0.00 C ATOM 745 C PRO A 46 3.500 -6.660 2.912 1.00 0.00 C ATOM 746 O PRO A 46 4.253 -5.685 2.857 1.00 0.00 O ATOM 747 CB PRO A 46 4.553 -8.900 2.389 1.00 0.00 C ATOM 748 CG PRO A 46 5.969 -8.418 2.027 1.00 0.00 C ATOM 749 CD PRO A 46 5.720 -7.827 0.626 1.00 0.00 C ATOM 0 HA PRO A 46 2.580 -8.101 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.443 -9.029 3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.334 -9.863 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.345 -7.674 2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.692 -9.234 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.410 -7.009 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.872 -8.578 -0.149 1.00 0.00 H new ATOM 757 N ILE A 47 2.614 -6.815 3.952 1.00 0.00 N ATOM 758 CA ILE A 47 2.427 -5.900 5.116 1.00 0.00 C ATOM 759 C ILE A 47 3.733 -5.714 5.940 1.00 0.00 C ATOM 760 O ILE A 47 4.140 -4.576 6.171 1.00 0.00 O ATOM 761 CB ILE A 47 1.136 -6.192 5.922 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.073 -5.959 4.979 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.021 -5.349 7.219 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.443 -6.093 5.660 1.00 0.00 C ATOM 0 H ILE A 47 1.987 -7.618 3.996 1.00 0.00 H new ATOM 0 HA ILE A 47 2.234 -4.902 4.721 1.00 0.00 H new ATOM 0 HB ILE A 47 1.160 -7.227 6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.007 -4.963 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.019 -6.671 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.095 -5.601 7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.870 -5.563 7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.017 -4.289 6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.232 -5.915 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.549 -7.097 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.522 -5.362 6.465 1.00 0.00 H new ATOM 776 N PRO A 48 4.440 -6.771 6.394 1.00 0.00 N ATOM 777 CA PRO A 48 5.840 -6.796 6.792 1.00 0.00 C ATOM 778 C PRO A 48 6.935 -6.255 5.836 1.00 0.00 C ATOM 779 O PRO A 48 8.042 -6.101 6.324 1.00 0.00 O ATOM 780 CB PRO A 48 6.102 -8.049 7.636 1.00 0.00 C ATOM 781 CG PRO A 48 4.789 -8.842 7.578 1.00 0.00 C ATOM 782 CD PRO A 48 3.873 -8.106 6.572 1.00 0.00 C ATOM 0 HA PRO A 48 6.002 -5.935 7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.933 -8.630 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.361 -7.788 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.970 -9.868 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.323 -8.892 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.832 -8.640 5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.852 -8.047 6.949 1.00 0.00 H new ATOM 790 N HIS A 49 6.806 -6.010 4.476 1.00 0.00 N ATOM 791 CA HIS A 49 7.899 -5.407 3.615 1.00 0.00 C ATOM 792 C HIS A 49 8.380 -4.072 4.172 1.00 0.00 C ATOM 793 O HIS A 49 9.574 -3.823 4.308 1.00 0.00 O ATOM 794 CB HIS A 49 7.557 -5.120 2.083 1.00 0.00 C ATOM 795 CG HIS A 49 7.920 -3.753 1.457 1.00 0.00 C ATOM 796 ND1 HIS A 49 9.189 -3.197 1.310 1.00 0.00 N ATOM 797 CD2 HIS A 49 7.072 -2.696 1.456 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.024 -1.848 1.263 1.00 0.00 C ATOM 799 NE2 HIS A 49 7.767 -1.504 1.361 1.00 0.00 N ATOM 0 H HIS A 49 5.955 -6.222 3.956 1.00 0.00 H new ATOM 0 HA HIS A 49 8.646 -6.200 3.647 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.050 -5.890 1.490 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.483 -5.260 1.958 1.00 0.00 H new ATOM 0 HD1 HIS A 49 10.072 -3.704 1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.997 -2.774 1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.836 -1.144 1.157 1.00 0.00 H new ATOM 807 N VAL A 50 7.384 -3.216 4.532 1.00 0.00 N ATOM 808 CA VAL A 50 7.552 -1.908 5.172 1.00 0.00 C ATOM 809 C VAL A 50 8.187 -2.051 6.560 1.00 0.00 C ATOM 810 O VAL A 50 9.041 -1.257 6.933 1.00 0.00 O ATOM 811 CB VAL A 50 6.338 -0.965 5.027 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.468 -1.174 3.783 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.575 -0.678 6.315 1.00 0.00 C ATOM 0 H VAL A 50 6.403 -3.442 4.371 1.00 0.00 H new ATOM 0 HA VAL A 50 8.289 -1.340 4.604 1.00 0.00 H new ATOM 0 HB VAL A 50 6.819 -0.011 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.647 -0.457 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.072 -1.028 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.065 -2.187 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.743 -0.007 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.192 -1.612 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.244 -0.210 7.037 1.00 0.00 H new ATOM 823 N ARG A 51 7.882 -3.176 7.282 1.00 0.00 N ATOM 824 CA ARG A 51 8.646 -3.660 8.443 1.00 0.00 C ATOM 825 C ARG A 51 10.071 -4.219 8.160 1.00 0.00 C ATOM 826 O ARG A 51 10.971 -4.082 8.982 1.00 0.00 O ATOM 827 CB ARG A 51 7.852 -4.566 9.436 1.00 0.00 C ATOM 828 CG ARG A 51 8.154 -6.082 9.512 1.00 0.00 C ATOM 829 CD ARG A 51 9.354 -6.622 10.320 1.00 0.00 C ATOM 830 NE ARG A 51 9.306 -8.129 10.293 1.00 0.00 N ATOM 831 CZ ARG A 51 9.747 -8.901 9.249 1.00 0.00 C ATOM 832 NH1 ARG A 51 10.301 -8.339 8.137 1.00 0.00 N ATOM 833 NH2 ARG A 51 9.636 -10.259 9.334 1.00 0.00 N ATOM 0 H ARG A 51 7.083 -3.769 7.057 1.00 0.00 H new ATOM 0 HA ARG A 51 8.820 -2.716 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.997 -4.156 10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.794 -4.458 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.261 -6.564 9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.277 -6.433 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.291 -6.265 9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.314 -6.260 11.347 1.00 0.00 H new ATOM 0 HE ARG A 51 8.919 -8.607 11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.394 -7.325 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.622 -8.932 7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.229 -10.686 10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.960 -10.846 8.565 1.00 0.00 H new ATOM 847 N ASP A 52 10.429 -4.819 6.983 1.00 0.00 N ATOM 848 CA ASP A 52 11.811 -5.269 6.652 1.00 0.00 C ATOM 849 C ASP A 52 12.922 -4.176 6.748 1.00 0.00 C ATOM 850 O ASP A 52 14.111 -4.457 6.770 1.00 0.00 O ATOM 851 CB ASP A 52 11.837 -5.993 5.268 1.00 0.00 C ATOM 852 CG ASP A 52 13.025 -6.952 5.103 1.00 0.00 C ATOM 853 OD1 ASP A 52 13.134 -7.905 5.920 1.00 0.00 O ATOM 854 OD2 ASP A 52 13.831 -6.742 4.158 1.00 0.00 O ATOM 0 H ASP A 52 9.759 -5.003 6.236 1.00 0.00 H new ATOM 0 HA ASP A 52 12.072 -5.974 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.909 -6.551 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.871 -5.245 4.476 1.00 0.00 H new ATOM 859 N SER A 53 12.461 -2.908 6.814 1.00 0.00 N ATOM 860 CA SER A 53 13.065 -1.629 7.090 1.00 0.00 C ATOM 861 C SER A 53 13.078 -1.077 8.532 1.00 0.00 C ATOM 862 O SER A 53 13.873 -0.173 8.785 1.00 0.00 O ATOM 863 CB SER A 53 12.270 -0.592 6.299 1.00 0.00 C ATOM 864 OG SER A 53 12.929 0.678 6.228 1.00 0.00 O ATOM 0 H SER A 53 11.467 -2.761 6.637 1.00 0.00 H new ATOM 0 HA SER A 53 14.112 -1.796 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.100 -0.965 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.291 -0.463 6.760 1.00 0.00 H new ATOM 0 HG SER A 53 13.416 0.841 7.063 1.00 0.00 H new ATOM 870 N LEU A 54 12.124 -1.446 9.476 1.00 0.00 N ATOM 871 CA LEU A 54 11.923 -0.726 10.774 1.00 0.00 C ATOM 872 C LEU A 54 13.098 -0.947 11.708 1.00 0.00 C ATOM 873 O LEU A 54 13.486 -0.084 12.491 1.00 0.00 O ATOM 874 CB LEU A 54 10.513 -0.724 11.549 1.00 0.00 C ATOM 875 CG LEU A 54 9.786 -1.977 12.160 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.279 -1.948 11.867 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.278 -3.253 11.589 1.00 0.00 C ATOM 0 H LEU A 54 11.493 -2.237 9.347 1.00 0.00 H new ATOM 0 HA LEU A 54 11.870 0.295 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.634 -0.023 12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.798 -0.280 10.856 1.00 0.00 H new ATOM 0 HG LEU A 54 9.993 -1.927 13.229 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.807 -2.828 12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.841 -1.049 12.301 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.118 -1.946 10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.743 -4.086 12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.109 -3.259 10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.345 -3.354 11.789 1.00 0.00 H new ATOM 889 N ILE A 55 13.713 -2.137 11.531 1.00 0.00 N ATOM 890 CA ILE A 55 14.965 -2.604 12.091 1.00 0.00 C ATOM 891 C ILE A 55 15.385 -3.633 11.027 1.00 0.00 C ATOM 892 O ILE A 55 14.521 -4.273 10.437 1.00 0.00 O ATOM 893 CB ILE A 55 14.993 -3.271 13.500 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.759 -3.296 14.450 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.260 -2.865 14.277 1.00 0.00 C ATOM 896 CD1 ILE A 55 12.993 -2.034 14.738 1.00 0.00 C ATOM 0 H ILE A 55 13.292 -2.849 10.934 1.00 0.00 H new ATOM 0 HA ILE A 55 15.603 -1.742 12.285 1.00 0.00 H new ATOM 0 HB ILE A 55 14.974 -4.311 13.176 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.051 -4.016 14.039 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.098 -3.693 15.407 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.255 -3.344 15.256 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.144 -3.181 13.723 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.279 -1.782 14.402 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.171 -2.255 15.419 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.657 -1.302 15.197 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.595 -1.630 13.807 1.00 0.00 H new ATOM 908 N GLN A 56 16.701 -3.854 10.807 1.00 0.00 N ATOM 909 CA GLN A 56 17.271 -4.867 9.911 1.00 0.00 C ATOM 910 C GLN A 56 17.613 -6.284 10.449 1.00 0.00 C ATOM 911 O GLN A 56 17.481 -7.212 9.653 1.00 0.00 O ATOM 912 CB GLN A 56 18.526 -4.328 9.147 1.00 0.00 C ATOM 913 CG GLN A 56 18.371 -2.919 8.514 1.00 0.00 C ATOM 914 CD GLN A 56 17.057 -2.695 7.755 1.00 0.00 C ATOM 915 OE1 GLN A 56 16.405 -1.672 7.964 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.651 -3.656 6.894 1.00 0.00 N ATOM 0 H GLN A 56 17.421 -3.302 11.274 1.00 0.00 H new ATOM 0 HA GLN A 56 16.405 -5.035 9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.368 -4.305 9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.780 -5.035 8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.450 -2.171 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.203 -2.750 7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.224 -4.488 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.772 -3.549 6.387 1.00 0.00 H new ATOM 925 N PRO A 57 18.105 -6.575 11.684 1.00 0.00 N ATOM 926 CA PRO A 57 18.645 -7.894 12.064 1.00 0.00 C ATOM 927 C PRO A 57 17.566 -8.844 12.611 1.00 0.00 C ATOM 928 O PRO A 57 16.487 -8.963 12.048 1.00 0.00 O ATOM 929 CB PRO A 57 19.644 -7.476 13.169 1.00 0.00 C ATOM 930 CG PRO A 57 18.872 -6.379 13.910 1.00 0.00 C ATOM 931 CD PRO A 57 18.345 -5.572 12.721 1.00 0.00 C ATOM 0 HA PRO A 57 19.076 -8.453 11.234 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.897 -8.309 13.825 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.580 -7.104 12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.070 -6.780 14.529 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.513 -5.787 14.563 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.430 -5.037 12.977 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.069 -4.826 12.394 1.00 0.00 H new ATOM 939 N HIS A 58 17.841 -9.508 13.770 1.00 0.00 N ATOM 940 CA HIS A 58 16.978 -10.414 14.528 1.00 0.00 C ATOM 941 C HIS A 58 15.839 -9.707 15.265 1.00 0.00 C ATOM 942 O HIS A 58 14.790 -10.290 15.515 1.00 0.00 O ATOM 943 CB HIS A 58 17.783 -11.314 15.501 1.00 0.00 C ATOM 944 CG HIS A 58 18.638 -12.305 14.758 1.00 0.00 C ATOM 945 ND1 HIS A 58 18.129 -13.401 14.095 1.00 0.00 N ATOM 946 CD2 HIS A 58 19.981 -12.336 14.543 1.00 0.00 C ATOM 947 CE1 HIS A 58 19.180 -14.041 13.524 1.00 0.00 C ATOM 948 NE2 HIS A 58 20.323 -13.431 13.768 1.00 0.00 N ATOM 0 H HIS A 58 18.750 -9.404 14.221 1.00 0.00 H new ATOM 0 HA HIS A 58 16.514 -11.052 13.776 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.414 -10.692 16.136 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.096 -11.846 16.159 1.00 0.00 H new ATOM 0 HD2 HIS A 58 20.682 -11.608 14.924 1.00 0.00 H new ATOM 0 HE1 HIS A 58 19.091 -14.944 12.938 1.00 0.00 H new ATOM 0 HE2 HIS A 58 21.254 -13.705 13.455 1.00 0.00 H new ATOM 956 N ASP A 59 16.023 -8.409 15.630 1.00 0.00 N ATOM 957 CA ASP A 59 15.085 -7.539 16.312 1.00 0.00 C ATOM 958 C ASP A 59 14.136 -6.831 15.360 1.00 0.00 C ATOM 959 O ASP A 59 13.318 -6.044 15.806 1.00 0.00 O ATOM 960 CB ASP A 59 15.826 -6.463 17.157 1.00 0.00 C ATOM 961 CG ASP A 59 16.730 -7.146 18.188 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.182 -7.849 19.081 1.00 0.00 O ATOM 963 OD2 ASP A 59 17.974 -6.975 18.096 1.00 0.00 O ATOM 0 H ASP A 59 16.901 -7.930 15.431 1.00 0.00 H new ATOM 0 HA ASP A 59 14.501 -8.192 16.961 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.421 -5.822 16.506 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.103 -5.822 17.661 1.00 0.00 H new ATOM 968 N ARG A 60 14.163 -7.112 14.019 1.00 0.00 N ATOM 969 CA ARG A 60 13.317 -6.570 12.933 1.00 0.00 C ATOM 970 C ARG A 60 11.842 -6.517 13.208 1.00 0.00 C ATOM 971 O ARG A 60 11.224 -5.481 13.076 1.00 0.00 O ATOM 972 CB ARG A 60 13.621 -7.225 11.554 1.00 0.00 C ATOM 973 CG ARG A 60 13.018 -8.599 11.212 1.00 0.00 C ATOM 974 CD ARG A 60 13.289 -9.677 12.264 1.00 0.00 C ATOM 975 NE ARG A 60 12.906 -11.025 11.719 1.00 0.00 N ATOM 976 CZ ARG A 60 12.556 -12.087 12.509 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.532 -11.974 13.869 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.224 -13.276 11.926 1.00 0.00 N ATOM 0 H ARG A 60 14.839 -7.782 13.651 1.00 0.00 H new ATOM 0 HA ARG A 60 13.617 -5.523 12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.296 -6.526 10.783 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.704 -7.314 11.468 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.941 -8.491 11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.418 -8.932 10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.343 -9.672 12.540 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.721 -9.466 13.170 1.00 0.00 H new ATOM 0 HE ARG A 60 12.907 -11.155 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.777 -11.088 14.312 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.269 -12.775 14.443 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.238 -13.367 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.962 -14.073 12.506 1.00 0.00 H new ATOM 992 N LYS A 61 11.243 -7.607 13.714 1.00 0.00 N ATOM 993 CA LYS A 61 9.886 -7.726 14.192 1.00 0.00 C ATOM 994 C LYS A 61 9.540 -7.009 15.486 1.00 0.00 C ATOM 995 O LYS A 61 8.386 -6.685 15.751 1.00 0.00 O ATOM 996 CB LYS A 61 9.150 -9.010 13.755 1.00 0.00 C ATOM 997 CG LYS A 61 7.902 -9.471 14.551 1.00 0.00 C ATOM 998 CD LYS A 61 8.204 -10.109 15.917 1.00 0.00 C ATOM 999 CE LYS A 61 6.994 -10.814 16.546 1.00 0.00 C ATOM 1000 NZ LYS A 61 5.894 -9.857 16.805 1.00 0.00 N ATOM 0 H LYS A 61 11.748 -8.489 13.799 1.00 0.00 H new ATOM 0 HA LYS A 61 9.296 -7.029 13.597 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.847 -8.878 12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.872 -9.826 13.775 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.249 -8.612 14.704 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.348 -10.189 13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.014 -10.829 15.801 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.559 -9.337 16.599 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.644 -11.604 15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.292 -11.291 17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.109 -10.350 17.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.238 -9.090 17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.561 -9.458 15.904 1.00 0.00 H new ATOM 1014 N LYS A 62 10.520 -6.731 16.378 1.00 0.00 N ATOM 1015 CA LYS A 62 10.333 -6.027 17.652 1.00 0.00 C ATOM 1016 C LYS A 62 9.665 -4.635 17.636 1.00 0.00 C ATOM 1017 O LYS A 62 9.046 -4.230 18.617 1.00 0.00 O ATOM 1018 CB LYS A 62 11.672 -6.043 18.451 1.00 0.00 C ATOM 1019 CG LYS A 62 11.567 -5.448 19.863 1.00 0.00 C ATOM 1020 CD LYS A 62 12.209 -4.061 20.074 1.00 0.00 C ATOM 1021 CE LYS A 62 13.730 -4.036 19.866 1.00 0.00 C ATOM 1022 NZ LYS A 62 14.286 -2.700 20.188 1.00 0.00 N ATOM 0 H LYS A 62 11.490 -7.003 16.218 1.00 0.00 H new ATOM 0 HA LYS A 62 9.560 -6.601 18.163 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.025 -7.071 18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.424 -5.489 17.890 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.512 -5.379 20.127 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.026 -6.147 20.563 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.748 -3.351 19.388 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.986 -3.719 21.085 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.200 -4.791 20.496 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.964 -4.292 18.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.315 -2.707 20.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.852 -1.985 19.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.081 -2.469 21.181 1.00 0.00 H new ATOM 1036 N MET A 63 9.694 -3.911 16.492 1.00 0.00 N ATOM 1037 CA MET A 63 8.893 -2.706 16.326 1.00 0.00 C ATOM 1038 C MET A 63 7.825 -2.911 15.260 1.00 0.00 C ATOM 1039 O MET A 63 7.089 -1.978 14.954 1.00 0.00 O ATOM 1040 CB MET A 63 9.683 -1.385 16.179 1.00 0.00 C ATOM 1041 CG MET A 63 10.369 -0.952 17.494 1.00 0.00 C ATOM 1042 SD MET A 63 10.804 0.820 17.543 1.00 0.00 S ATOM 1043 CE MET A 63 11.924 0.845 16.118 1.00 0.00 C ATOM 0 H MET A 63 10.265 -4.151 15.682 1.00 0.00 H new ATOM 0 HA MET A 63 8.389 -2.555 17.281 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.438 -1.502 15.402 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.006 -0.596 15.850 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.708 -1.178 18.330 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.274 -1.544 17.634 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.209 1.874 15.897 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.816 0.262 16.346 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.421 0.414 15.252 1.00 0.00 H new ATOM 1053 N LYS A 64 7.638 -4.164 14.713 1.00 0.00 N ATOM 1054 CA LYS A 64 6.526 -4.554 13.834 1.00 0.00 C ATOM 1055 C LYS A 64 5.210 -4.661 14.610 1.00 0.00 C ATOM 1056 O LYS A 64 4.148 -4.277 14.116 1.00 0.00 O ATOM 1057 CB LYS A 64 6.833 -5.847 13.017 1.00 0.00 C ATOM 1058 CG LYS A 64 5.668 -6.839 12.830 1.00 0.00 C ATOM 1059 CD LYS A 64 5.876 -8.020 11.874 1.00 0.00 C ATOM 1060 CE LYS A 64 4.843 -9.142 12.059 1.00 0.00 C ATOM 1061 NZ LYS A 64 3.469 -8.659 11.783 1.00 0.00 N ATOM 0 H LYS A 64 8.285 -4.932 14.890 1.00 0.00 H new ATOM 0 HA LYS A 64 6.408 -3.755 13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.189 -5.550 12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.653 -6.373 13.507 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.413 -7.243 13.810 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.802 -6.276 12.482 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.830 -7.659 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.876 -8.428 12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.080 -9.971 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.898 -9.526 13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.796 -9.443 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.230 -7.895 12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.417 -8.300 10.808 1.00 0.00 H new ATOM 1075 N LYS A 65 5.288 -5.162 15.876 1.00 0.00 N ATOM 1076 CA LYS A 65 4.164 -5.301 16.821 1.00 0.00 C ATOM 1077 C LYS A 65 3.435 -3.965 17.163 1.00 0.00 C ATOM 1078 O LYS A 65 2.206 -3.873 17.148 1.00 0.00 O ATOM 1079 CB LYS A 65 4.618 -6.045 18.110 1.00 0.00 C ATOM 1080 CG LYS A 65 3.514 -6.412 19.133 1.00 0.00 C ATOM 1081 CD LYS A 65 2.346 -7.257 18.584 1.00 0.00 C ATOM 1082 CE LYS A 65 2.771 -8.616 18.007 1.00 0.00 C ATOM 1083 NZ LYS A 65 1.593 -9.400 17.568 1.00 0.00 N ATOM 0 H LYS A 65 6.170 -5.489 16.271 1.00 0.00 H new ATOM 0 HA LYS A 65 3.417 -5.903 16.303 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.123 -6.964 17.811 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.358 -5.425 18.617 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.975 -6.956 19.958 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.107 -5.489 19.547 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.625 -7.424 19.384 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.834 -6.689 17.807 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.444 -8.462 17.164 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.325 -9.177 18.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.908 -10.313 17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.964 -9.565 18.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.079 -8.873 16.833 1.00 0.00 H new ATOM 1097 N VAL A 66 4.230 -2.861 17.375 1.00 0.00 N ATOM 1098 CA VAL A 66 3.768 -1.464 17.508 1.00 0.00 C ATOM 1099 C VAL A 66 3.399 -0.858 16.152 1.00 0.00 C ATOM 1100 O VAL A 66 2.469 -0.055 16.067 1.00 0.00 O ATOM 1101 CB VAL A 66 4.597 -0.525 18.406 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.103 -0.548 18.071 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.010 0.919 18.421 1.00 0.00 C ATOM 0 H VAL A 66 5.243 -2.941 17.458 1.00 0.00 H new ATOM 0 HA VAL A 66 2.855 -1.553 18.097 1.00 0.00 H new ATOM 0 HB VAL A 66 4.518 -0.913 19.421 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.634 0.133 18.736 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.489 -1.559 18.202 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.251 -0.234 17.038 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.620 1.553 19.064 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.010 1.322 17.408 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.989 0.893 18.801 1.00 0.00 H new ATOM 1113 N TRP A 67 4.065 -1.246 15.019 1.00 0.00 N ATOM 1114 CA TRP A 67 3.743 -0.841 13.639 1.00 0.00 C ATOM 1115 C TRP A 67 2.313 -1.197 13.208 1.00 0.00 C ATOM 1116 O TRP A 67 1.648 -0.391 12.571 1.00 0.00 O ATOM 1117 CB TRP A 67 4.810 -1.333 12.607 1.00 0.00 C ATOM 1118 CG TRP A 67 4.515 -1.122 11.126 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.295 -2.092 10.190 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.118 0.122 10.524 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.783 -1.533 9.049 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.666 -0.179 9.240 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.089 1.402 11.008 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.190 0.789 8.416 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.582 2.378 10.177 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.154 2.078 8.900 1.00 0.00 C ATOM 0 H TRP A 67 4.869 -1.873 15.060 1.00 0.00 H new ATOM 0 HA TRP A 67 3.784 0.248 13.645 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.752 -0.835 12.835 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.966 -2.400 12.769 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.495 -3.144 10.329 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.531 -2.038 8.200 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.448 1.637 11.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.852 0.557 7.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.519 3.396 10.532 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.783 2.870 8.267 1.00 0.00 H new ATOM 1137 N ASP A 68 1.799 -2.377 13.659 1.00 0.00 N ATOM 1138 CA ASP A 68 0.415 -2.871 13.515 1.00 0.00 C ATOM 1139 C ASP A 68 -0.648 -1.928 14.107 1.00 0.00 C ATOM 1140 O ASP A 68 -1.729 -1.752 13.553 1.00 0.00 O ATOM 1141 CB ASP A 68 0.239 -4.257 14.201 1.00 0.00 C ATOM 1142 CG ASP A 68 1.194 -5.301 13.612 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.340 -5.339 12.361 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.769 -6.089 14.408 1.00 0.00 O ATOM 0 H ASP A 68 2.384 -3.043 14.163 1.00 0.00 H new ATOM 0 HA ASP A 68 0.259 -2.937 12.438 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.420 -4.160 15.271 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.790 -4.595 14.081 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.304 -1.251 15.234 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.976 -0.106 15.824 1.00 0.00 C ATOM 1151 C ARG A 69 -0.668 1.231 15.103 1.00 0.00 C ATOM 1152 O ARG A 69 -1.582 1.919 14.659 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.606 -0.109 17.335 1.00 0.00 C ATOM 1154 CG ARG A 69 -1.466 0.743 18.296 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.136 2.247 18.389 1.00 0.00 C ATOM 1156 NE ARG A 69 0.246 2.434 18.967 1.00 0.00 N ATOM 1157 CZ ARG A 69 1.076 3.474 18.636 1.00 0.00 C ATOM 1158 NH1 ARG A 69 0.770 4.316 17.610 1.00 0.00 N ATOM 1159 NH2 ARG A 69 2.229 3.670 19.342 1.00 0.00 N ATOM 0 H ARG A 69 0.513 -1.527 15.779 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.056 -0.193 15.704 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.639 -1.141 17.684 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.427 0.226 17.426 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.509 0.644 17.995 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.381 0.316 19.295 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.191 2.702 17.400 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.873 2.752 19.014 1.00 0.00 H new ATOM 0 HE ARG A 69 0.582 1.747 19.642 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.087 4.178 17.075 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.398 5.085 17.377 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.469 3.044 20.111 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.850 4.442 19.100 1.00 0.00 H new ATOM 1173 N ALA A 70 0.637 1.627 14.928 1.00 0.00 N ATOM 1174 CA ALA A 70 1.156 2.870 14.320 1.00 0.00 C ATOM 1175 C ALA A 70 0.734 3.171 12.869 1.00 0.00 C ATOM 1176 O ALA A 70 0.487 4.323 12.491 1.00 0.00 O ATOM 1177 CB ALA A 70 2.685 2.937 14.452 1.00 0.00 C ATOM 0 H ALA A 70 1.401 1.027 15.238 1.00 0.00 H new ATOM 0 HA ALA A 70 0.673 3.656 14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.049 3.859 13.999 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.960 2.918 15.506 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.132 2.082 13.945 1.00 0.00 H new ATOM 1183 N VAL A 71 0.553 2.084 12.059 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.032 2.008 10.718 1.00 0.00 C ATOM 1185 C VAL A 71 -1.462 2.545 10.633 1.00 0.00 C ATOM 1186 O VAL A 71 -1.850 3.129 9.626 1.00 0.00 O ATOM 1187 CB VAL A 71 0.099 0.600 10.142 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -0.836 -0.435 10.782 1.00 0.00 C ATOM 1189 CG2 VAL A 71 -0.081 0.563 8.626 1.00 0.00 C ATOM 0 H VAL A 71 0.847 1.160 12.376 1.00 0.00 H new ATOM 0 HA VAL A 71 0.552 2.682 10.091 1.00 0.00 H new ATOM 0 HB VAL A 71 1.122 0.319 10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.678 -1.407 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.624 -0.507 11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.872 -0.128 10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.023 -0.463 8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.072 0.938 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.677 1.188 8.154 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.264 2.403 11.740 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.620 2.931 11.936 1.00 0.00 C ATOM 1201 C ASP A 72 -3.653 4.476 11.974 1.00 0.00 C ATOM 1202 O ASP A 72 -4.413 5.067 11.209 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.348 2.206 13.117 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.849 2.518 13.201 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.562 2.262 12.193 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -6.298 3.009 14.269 1.00 0.00 O ATOM 0 H ASP A 72 -1.943 1.882 12.556 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.216 2.690 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.215 1.130 13.008 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.873 2.492 14.055 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.777 5.199 12.762 1.00 0.00 N ATOM 1212 CA PHE A 73 -2.618 6.665 12.615 1.00 0.00 C ATOM 1213 C PHE A 73 -1.971 7.106 11.256 1.00 0.00 C ATOM 1214 O PHE A 73 -2.503 8.005 10.597 1.00 0.00 O ATOM 1215 CB PHE A 73 -2.046 7.491 13.795 1.00 0.00 C ATOM 1216 CG PHE A 73 -2.664 8.896 13.696 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -4.000 9.059 14.034 1.00 0.00 C ATOM 1218 CD2 PHE A 73 -2.035 9.928 13.019 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -4.669 10.230 13.755 1.00 0.00 C ATOM 1220 CE2 PHE A 73 -2.708 11.093 12.714 1.00 0.00 C ATOM 1221 CZ PHE A 73 -4.025 11.249 13.091 1.00 0.00 C ATOM 0 H PHE A 73 -2.190 4.784 13.486 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.673 6.939 12.624 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.295 7.026 14.749 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.959 7.542 13.739 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.525 8.253 14.525 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.001 9.819 12.725 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.699 10.349 14.057 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.203 11.884 12.179 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.549 12.166 12.866 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.847 6.459 10.763 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.215 6.748 9.428 1.00 0.00 C ATOM 1233 C LEU A 74 -1.171 6.721 8.224 1.00 0.00 C ATOM 1234 O LEU A 74 -1.135 7.633 7.401 1.00 0.00 O ATOM 1235 CB LEU A 74 1.009 5.832 9.128 1.00 0.00 C ATOM 1236 CG LEU A 74 1.871 6.261 7.906 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.362 6.213 8.255 1.00 0.00 C ATOM 1238 CD2 LEU A 74 1.606 5.436 6.632 1.00 0.00 C ATOM 0 H LEU A 74 -0.363 5.728 11.284 1.00 0.00 H new ATOM 0 HA LEU A 74 0.116 7.780 9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.647 5.804 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.651 4.816 8.961 1.00 0.00 H new ATOM 0 HG LEU A 74 1.571 7.284 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.949 6.516 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.564 6.891 9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.636 5.198 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.245 5.796 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.824 4.386 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.561 5.542 6.341 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.112 5.730 8.149 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.191 5.625 7.171 1.00 0.00 C ATOM 1252 C ALA A 75 -4.261 6.752 7.133 1.00 0.00 C ATOM 1253 O ALA A 75 -5.027 6.829 6.177 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.873 4.253 7.343 1.00 0.00 C ATOM 0 H ALA A 75 -2.120 4.955 8.812 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.693 5.743 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.683 4.156 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.143 3.461 7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.276 4.171 8.352 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.320 7.655 8.161 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.156 8.847 8.269 1.00 0.00 C ATOM 1262 C ALA A 76 -4.397 10.119 7.846 1.00 0.00 C ATOM 1263 O ALA A 76 -4.984 11.158 7.546 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.663 8.995 9.727 1.00 0.00 C ATOM 0 H ALA A 76 -3.732 7.540 8.986 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.001 8.727 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.287 9.885 9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.248 8.116 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.811 9.088 10.401 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.037 10.032 7.849 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.061 11.071 7.543 1.00 0.00 C ATOM 1272 C ASN A 77 -1.571 10.970 6.098 1.00 0.00 C ATOM 1273 O ASN A 77 -1.636 11.940 5.342 1.00 0.00 O ATOM 1274 CB ASN A 77 -0.880 10.931 8.567 1.00 0.00 C ATOM 1275 CG ASN A 77 0.131 12.090 8.582 1.00 0.00 C ATOM 1276 OD1 ASN A 77 0.017 13.107 7.902 1.00 0.00 O ATOM 1277 ND2 ASN A 77 1.167 11.953 9.449 1.00 0.00 N ATOM 0 H ASN A 77 -2.577 9.154 8.088 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.519 12.056 7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.301 10.828 9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.343 10.008 8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.858 12.698 9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.254 11.105 10.010 1.00 0.00 H new ATOM 1284 N GLU A 78 -1.032 9.783 5.708 1.00 0.00 N ATOM 1285 CA GLU A 78 -0.465 9.531 4.391 1.00 0.00 C ATOM 1286 C GLU A 78 -1.072 8.258 3.840 1.00 0.00 C ATOM 1287 O GLU A 78 -0.410 7.224 3.708 1.00 0.00 O ATOM 1288 CB GLU A 78 1.090 9.399 4.411 1.00 0.00 C ATOM 1289 CG GLU A 78 1.807 10.669 4.909 1.00 0.00 C ATOM 1290 CD GLU A 78 3.318 10.505 4.763 1.00 0.00 C ATOM 1291 OE1 GLU A 78 3.869 9.530 5.341 1.00 0.00 O ATOM 1292 OE2 GLU A 78 3.942 11.354 4.072 1.00 0.00 O ATOM 0 H GLU A 78 -0.988 8.972 6.325 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.700 10.388 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.368 8.560 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.440 9.164 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.470 11.535 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.552 10.856 5.952 1.00 0.00 H new ATOM 1299 N SER A 79 -2.375 8.296 3.442 1.00 0.00 N ATOM 1300 CA SER A 79 -3.120 7.146 2.903 1.00 0.00 C ATOM 1301 C SER A 79 -2.803 6.838 1.440 1.00 0.00 C ATOM 1302 O SER A 79 -3.634 6.944 0.544 1.00 0.00 O ATOM 1303 CB SER A 79 -4.656 7.263 3.130 1.00 0.00 C ATOM 1304 OG SER A 79 -5.178 6.054 3.687 1.00 0.00 O ATOM 0 H SER A 79 -2.937 9.146 3.492 1.00 0.00 H new ATOM 0 HA SER A 79 -2.765 6.294 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.867 8.098 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.153 7.478 2.184 1.00 0.00 H new ATOM 0 HG SER A 79 -4.962 6.014 4.642 1.00 0.00 H new ATOM 1310 N ARG A 80 -1.529 6.440 1.192 1.00 0.00 N ATOM 1311 CA ARG A 80 -0.950 6.097 -0.101 1.00 0.00 C ATOM 1312 C ARG A 80 -1.161 4.634 -0.445 1.00 0.00 C ATOM 1313 O ARG A 80 -2.117 4.334 -1.149 1.00 0.00 O ATOM 1314 CB ARG A 80 0.542 6.525 -0.189 1.00 0.00 C ATOM 1315 CG ARG A 80 0.767 8.049 -0.142 1.00 0.00 C ATOM 1316 CD ARG A 80 2.259 8.370 0.037 1.00 0.00 C ATOM 1317 NE ARG A 80 2.435 9.856 0.173 1.00 0.00 N ATOM 1318 CZ ARG A 80 3.587 10.431 0.644 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.640 9.664 1.049 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.677 11.792 0.714 1.00 0.00 N ATOM 0 H ARG A 80 -0.849 6.349 1.947 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.483 6.668 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.090 6.063 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.966 6.135 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.399 8.505 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.195 8.481 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.648 7.864 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.827 8.002 -0.817 1.00 0.00 H new ATOM 0 HE ARG A 80 1.662 10.465 -0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.577 8.647 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.490 10.108 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.891 12.371 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.530 12.229 1.063 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.339 3.641 0.008 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.483 2.246 -0.490 1.00 0.00 C ATOM 1336 C VAL A 81 -1.793 1.520 -0.097 1.00 0.00 C ATOM 1337 O VAL A 81 -2.280 1.629 1.026 1.00 0.00 O ATOM 1338 CB VAL A 81 0.803 1.402 -0.379 1.00 0.00 C ATOM 1339 CG1 VAL A 81 0.544 -0.118 -0.391 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.700 1.700 -1.601 1.00 0.00 C ATOM 0 H VAL A 81 0.404 3.776 0.693 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.621 2.374 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 81 1.263 1.670 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.492 -0.649 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.095 -0.385 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.051 -0.396 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.613 1.109 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.166 1.442 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.954 2.760 -1.616 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.420 0.814 -1.096 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.734 0.201 -0.990 1.00 0.00 C ATOM 1352 C ARG A 82 -3.641 -1.288 -0.681 1.00 0.00 C ATOM 1353 O ARG A 82 -2.768 -1.975 -1.204 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.516 0.492 -2.303 1.00 0.00 C ATOM 1355 CG ARG A 82 -6.038 0.252 -2.219 1.00 0.00 C ATOM 1356 CD ARG A 82 -6.502 -1.050 -2.891 1.00 0.00 C ATOM 1357 NE ARG A 82 -7.946 -1.283 -2.536 1.00 0.00 N ATOM 1358 CZ ARG A 82 -8.663 -2.368 -2.965 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -8.110 -3.292 -3.801 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -9.952 -2.528 -2.544 1.00 0.00 N ATOM 0 H ARG A 82 -1.990 0.668 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.277 0.634 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.342 1.529 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.108 -0.132 -3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.336 0.234 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.554 1.093 -2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.384 -0.981 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.890 -1.888 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.415 -0.597 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.147 -3.182 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.660 -4.094 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.372 -1.843 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.495 -3.333 -2.858 1.00 0.00 H new ATOM 1374 N THR A 83 -4.549 -1.798 0.205 1.00 0.00 N ATOM 1375 CA THR A 83 -4.634 -3.176 0.697 1.00 0.00 C ATOM 1376 C THR A 83 -5.643 -3.997 -0.074 1.00 0.00 C ATOM 1377 O THR A 83 -6.820 -3.649 -0.149 1.00 0.00 O ATOM 1378 CB THR A 83 -5.030 -3.226 2.174 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.272 -2.264 2.895 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.739 -4.615 2.772 1.00 0.00 C ATOM 0 H THR A 83 -5.277 -1.208 0.608 1.00 0.00 H new ATOM 0 HA THR A 83 -3.637 -3.595 0.559 1.00 0.00 H new ATOM 0 HB THR A 83 -6.097 -3.017 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.367 -2.608 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.029 -4.627 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.308 -5.371 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.674 -4.832 2.687 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.219 -5.141 -0.647 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.100 -6.020 -1.394 1.00 0.00 C ATOM 1390 C GLU A 84 -5.969 -7.420 -0.841 1.00 0.00 C ATOM 1391 O GLU A 84 -4.913 -7.787 -0.325 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.790 -5.973 -2.918 1.00 0.00 C ATOM 1393 CG GLU A 84 -4.427 -6.563 -3.340 1.00 0.00 C ATOM 1394 CD GLU A 84 -4.221 -6.353 -4.838 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -5.080 -6.821 -5.631 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -3.188 -5.738 -5.210 1.00 0.00 O ATOM 0 H GLU A 84 -4.254 -5.469 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.131 -5.684 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.577 -6.509 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.834 -4.935 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.623 -6.084 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.390 -7.626 -3.103 1.00 0.00 H new ATOM 1403 N THR A 85 -7.047 -8.239 -0.959 1.00 0.00 N ATOM 1404 CA THR A 85 -7.095 -9.640 -0.556 1.00 0.00 C ATOM 1405 C THR A 85 -6.837 -10.454 -1.822 1.00 0.00 C ATOM 1406 O THR A 85 -7.631 -10.437 -2.762 1.00 0.00 O ATOM 1407 CB THR A 85 -8.412 -10.002 0.120 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.751 -9.000 1.071 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.268 -11.322 0.893 1.00 0.00 C ATOM 0 H THR A 85 -7.930 -7.915 -1.353 1.00 0.00 H new ATOM 0 HA THR A 85 -6.339 -9.857 0.199 1.00 0.00 H new ATOM 0 HB THR A 85 -9.176 -10.090 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.599 -9.233 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.216 -11.569 1.371 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.991 -12.119 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.495 -11.216 1.654 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.674 -11.143 -1.912 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.245 -11.791 -3.145 1.00 0.00 C ATOM 1419 C ARG A 86 -4.489 -13.046 -2.768 1.00 0.00 C ATOM 1420 O ARG A 86 -3.800 -13.051 -1.751 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.352 -10.808 -3.966 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.870 -11.307 -5.344 1.00 0.00 C ATOM 1423 CD ARG A 86 -5.015 -11.575 -6.334 1.00 0.00 C ATOM 1424 NE ARG A 86 -4.416 -12.007 -7.644 1.00 0.00 N ATOM 1425 CZ ARG A 86 -5.170 -12.403 -8.716 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -6.531 -12.442 -8.637 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -4.549 -12.761 -9.878 1.00 0.00 N ATOM 0 H ARG A 86 -5.024 -11.256 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.097 -12.059 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.909 -9.883 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.476 -10.561 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.195 -10.567 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.295 -12.223 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.679 -12.348 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.617 -10.677 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.400 -12.005 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.999 -12.174 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.080 -12.739 -9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.531 -12.732 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.103 -13.057 -10.682 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.619 -14.136 -3.576 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.040 -15.463 -3.377 1.00 0.00 C ATOM 1443 C ARG A 87 -2.619 -15.640 -3.921 1.00 0.00 C ATOM 1444 O ARG A 87 -2.384 -15.464 -5.113 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.977 -16.527 -4.006 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.701 -17.981 -3.567 1.00 0.00 C ATOM 1447 CD ARG A 87 -5.704 -18.994 -4.141 1.00 0.00 C ATOM 1448 NE ARG A 87 -7.059 -18.706 -3.552 1.00 0.00 N ATOM 1449 CZ ARG A 87 -8.193 -19.388 -3.902 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -8.153 -20.379 -4.839 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -9.378 -19.071 -3.303 1.00 0.00 N ATOM 0 H ARG A 87 -5.169 -14.090 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.953 -15.591 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.007 -16.277 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.891 -16.469 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.695 -18.262 -3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.725 -18.035 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.739 -18.919 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.395 -20.011 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.136 -17.964 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.270 -20.620 -5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.006 -20.879 -5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.413 -18.332 -2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.228 -19.574 -3.557 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.631 -16.008 -3.064 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.228 -16.214 -3.431 1.00 0.00 C ATOM 1467 C ILE A 88 0.248 -17.495 -2.774 1.00 0.00 C ATOM 1468 O ILE A 88 0.133 -17.658 -1.564 1.00 0.00 O ATOM 1469 CB ILE A 88 0.696 -15.033 -3.088 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.386 -14.333 -1.731 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.634 -14.070 -4.292 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.485 -13.071 -1.838 1.00 0.00 C ATOM 0 H ILE A 88 -1.807 -16.171 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.176 -16.290 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 88 1.709 -15.402 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.113 -15.047 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.328 -14.067 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.275 -13.209 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.976 -14.586 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.393 -13.734 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.646 -12.655 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.019 -12.333 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.446 -13.329 -2.284 1.00 0.00 H new ATOM 1484 N GLY A 89 0.746 -18.487 -3.583 1.00 0.00 N ATOM 1485 CA GLY A 89 1.202 -19.833 -3.103 1.00 0.00 C ATOM 1486 C GLY A 89 0.077 -20.727 -2.623 1.00 0.00 C ATOM 1487 O GLY A 89 0.278 -21.637 -1.828 1.00 0.00 O ATOM 0 H GLY A 89 0.842 -18.372 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.733 -20.336 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.916 -19.696 -2.291 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.159 -20.423 -3.086 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.414 -21.069 -2.655 1.00 0.00 C ATOM 1493 C GLY A 90 -3.063 -20.464 -1.418 1.00 0.00 C ATOM 1494 O GLY A 90 -3.960 -21.082 -0.854 1.00 0.00 O ATOM 0 H GLY A 90 -1.311 -19.700 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.127 -21.026 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.214 -22.123 -2.462 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.657 -19.253 -0.939 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.216 -18.668 0.270 1.00 0.00 C ATOM 1500 C ALA A 91 -3.405 -17.173 0.061 1.00 0.00 C ATOM 1501 O ALA A 91 -2.544 -16.496 -0.498 1.00 0.00 O ATOM 1502 CB ALA A 91 -2.287 -18.943 1.471 1.00 0.00 C ATOM 0 H ALA A 91 -1.943 -18.679 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.185 -19.120 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.715 -18.501 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.181 -20.019 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.308 -18.504 1.281 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.572 -16.621 0.480 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.008 -15.255 0.335 1.00 0.00 C ATOM 1510 C ASP A 92 -4.754 -14.387 1.576 1.00 0.00 C ATOM 1511 O ASP A 92 -5.197 -14.716 2.674 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.497 -15.257 -0.123 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.489 -15.935 0.841 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.463 -17.189 0.947 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.293 -15.195 1.469 1.00 0.00 O ATOM 0 H ASP A 92 -5.271 -17.185 0.964 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.399 -14.776 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.813 -14.225 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.560 -15.755 -1.090 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.011 -13.264 1.439 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.652 -12.396 2.549 1.00 0.00 C ATOM 1522 C PHE A 93 -4.017 -10.993 2.134 1.00 0.00 C ATOM 1523 O PHE A 93 -4.394 -10.752 0.986 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.119 -12.427 2.873 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.615 -13.843 3.017 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.845 -14.569 4.174 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.918 -14.449 1.985 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.391 -15.871 4.290 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.477 -15.749 2.088 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.708 -16.463 3.245 1.00 0.00 C ATOM 0 H PHE A 93 -3.648 -12.946 0.541 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.178 -12.733 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.568 -11.922 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.929 -11.876 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.383 -14.115 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.717 -13.891 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.571 -16.426 5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.049 -16.209 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.357 -17.480 3.334 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.832 -10.009 3.058 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.995 -8.595 2.787 1.00 0.00 C ATOM 1542 C LEU A 94 -2.595 -8.134 2.407 1.00 0.00 C ATOM 1543 O LEU A 94 -1.685 -8.119 3.227 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.555 -7.847 4.026 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.100 -7.763 4.029 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.725 -9.157 4.173 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.618 -6.895 5.196 1.00 0.00 C ATOM 0 H LEU A 94 -3.561 -10.204 4.022 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.717 -8.390 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.222 -8.354 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.141 -6.839 4.054 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.387 -7.314 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.812 -9.070 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.411 -9.785 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.397 -9.608 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.707 -6.858 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.295 -7.328 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.218 -5.885 5.104 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.394 -7.798 1.121 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.094 -7.440 0.562 1.00 0.00 C ATOM 1561 C VAL A 95 -1.259 -5.988 0.131 1.00 0.00 C ATOM 1562 O VAL A 95 -2.349 -5.560 -0.256 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.626 -8.380 -0.571 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -0.016 -9.647 0.074 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.777 -8.812 -1.519 1.00 0.00 C ATOM 0 H VAL A 95 -3.148 -7.769 0.435 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.292 -7.554 1.292 1.00 0.00 H new ATOM 0 HB VAL A 95 0.100 -7.834 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.322 -10.327 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.830 -9.365 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.770 -10.143 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.383 -9.471 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.541 -9.339 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.217 -7.929 -1.983 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.172 -5.202 0.208 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.192 -3.758 -0.109 1.00 0.00 C ATOM 1577 C TRP A 96 0.402 -3.571 -1.516 1.00 0.00 C ATOM 1578 O TRP A 96 1.483 -4.074 -1.791 1.00 0.00 O ATOM 1579 CB TRP A 96 0.771 -3.167 0.960 1.00 0.00 C ATOM 1580 CG TRP A 96 0.118 -2.764 2.266 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.194 -2.578 2.588 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.868 -2.474 3.448 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.312 -2.199 3.906 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.043 -2.147 4.451 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.205 -2.500 3.677 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.383 -1.864 5.720 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.617 -2.256 4.960 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.744 -1.943 5.970 1.00 0.00 C ATOM 0 H TRP A 96 0.746 -5.546 0.491 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.180 -3.297 -0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.547 -3.902 1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.267 -2.294 0.536 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.022 -2.709 1.907 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.183 -1.993 4.395 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.911 -2.703 2.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.315 -1.589 6.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.672 -2.312 5.185 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.119 -1.757 6.966 1.00 0.00 H new ATOM 1599 N ARG A 97 -0.252 -2.835 -2.466 1.00 0.00 N ATOM 1600 CA ARG A 97 0.197 -2.648 -3.840 1.00 0.00 C ATOM 1601 C ARG A 97 0.028 -1.204 -4.190 1.00 0.00 C ATOM 1602 O ARG A 97 -0.781 -0.528 -3.544 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.692 -3.533 -4.741 1.00 0.00 C ATOM 1604 CG ARG A 97 -0.775 -3.243 -6.267 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.921 -2.325 -6.746 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.237 -2.967 -6.409 1.00 0.00 N ATOM 1607 CZ ARG A 97 -4.372 -2.276 -6.080 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -4.383 -0.914 -6.028 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -5.512 -2.973 -5.797 1.00 0.00 N ATOM 0 H ARG A 97 -1.128 -2.351 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 97 1.243 -2.925 -3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.352 -4.562 -4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -1.706 -3.485 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.169 -2.796 -6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.864 -4.196 -6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.845 -1.348 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.847 -2.160 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.288 -3.986 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.534 -0.389 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.240 -0.420 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.509 -3.992 -5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.367 -2.474 -5.550 1.00 0.00 H new ATOM 1623 N TRP A 98 0.784 -0.677 -5.201 1.00 0.00 N ATOM 1624 CA TRP A 98 0.754 0.755 -5.506 1.00 0.00 C ATOM 1625 C TRP A 98 0.362 1.271 -6.876 1.00 0.00 C ATOM 1626 O TRP A 98 0.670 0.698 -7.915 1.00 0.00 O ATOM 1627 CB TRP A 98 1.985 1.499 -5.012 1.00 0.00 C ATOM 1628 CG TRP A 98 1.782 2.983 -4.736 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.718 3.809 -5.197 1.00 0.00 C ATOM 1630 CD2 TRP A 98 0.683 3.842 -4.308 1.00 0.00 C ATOM 1631 NE1 TRP A 98 2.391 5.077 -4.943 1.00 0.00 N ATOM 1632 CE2 TRP A 98 1.135 5.148 -4.452 1.00 0.00 C ATOM 1633 CE3 TRP A 98 -0.599 3.615 -3.891 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 0.379 6.240 -4.149 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 -1.413 4.724 -3.758 1.00 0.00 C ATOM 1636 CH2 TRP A 98 -0.938 6.016 -3.835 1.00 0.00 C ATOM 0 H TRP A 98 1.404 -1.225 -5.797 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.139 0.987 -4.926 1.00 0.00 H new ATOM 0 HB2 TRP A 98 2.335 1.021 -4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.777 1.389 -5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.618 3.496 -5.706 1.00 0.00 H new ATOM 0 HE1 TRP A 98 3.002 5.879 -5.098 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.958 2.619 -3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 0.797 7.236 -4.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.468 4.572 -3.586 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -1.600 6.849 -3.649 1.00 0.00 H new ATOM 1647 N ILE A 99 -0.343 2.437 -6.843 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.908 3.197 -7.925 1.00 0.00 C ATOM 1649 C ILE A 99 -0.387 4.639 -7.873 1.00 0.00 C ATOM 1650 O ILE A 99 -0.801 5.439 -7.042 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.430 3.062 -7.760 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.916 3.258 -6.285 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.688 1.603 -8.190 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -4.425 3.127 -6.055 1.00 0.00 C ATOM 0 H ILE A 99 -0.533 2.890 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.623 2.839 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.961 3.820 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.407 2.528 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.601 4.245 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.753 1.384 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.362 1.464 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.132 0.928 -7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.647 3.281 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.950 3.875 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.753 2.131 -6.353 1.00 0.00 H new ATOM 1666 N GLN A 100 0.548 5.025 -8.787 1.00 0.00 N ATOM 1667 CA GLN A 100 1.136 6.366 -8.922 1.00 0.00 C ATOM 1668 C GLN A 100 0.628 7.022 -10.199 1.00 0.00 C ATOM 1669 O GLN A 100 1.119 6.643 -11.263 1.00 0.00 O ATOM 1670 CB GLN A 100 2.713 6.395 -8.897 1.00 0.00 C ATOM 1671 CG GLN A 100 3.263 7.523 -7.984 1.00 0.00 C ATOM 1672 CD GLN A 100 2.881 8.903 -8.534 1.00 0.00 C ATOM 1673 OE1 GLN A 100 3.247 9.245 -9.656 1.00 0.00 O ATOM 1674 NE2 GLN A 100 2.087 9.709 -7.783 1.00 0.00 N ATOM 0 H GLN A 100 0.921 4.371 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 100 0.815 6.923 -8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.087 5.432 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.088 6.535 -9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.867 7.406 -6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.348 7.443 -7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.792 9.411 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.786 10.612 -8.149 1.00 0.00 H new