USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 69 GLN : amide:sc= -3.09! C(o=-5!,f=-5.3!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -1.93! C(o=-5!,f=-7.3!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 169:sc= 0.482 (180deg=0.811) USER MOD Set 2.2: A 52 CYS SG : rot 85:sc= -3.4! USER MOD Set 2.3: A 59 MET CE :methyl 152:sc= -0.842 (180deg=-2.3) USER MOD Set 3.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 53 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.79) USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.13) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.14) USER MOD Single : A 29 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-1.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -172:sc= -2.39 (180deg=-2.66) USER MOD Single : A 41 THR OG1 : rot -38:sc= 1.01 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0.00156 USER MOD Single : A 43 HIS : no HD1:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.16) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 27:sc= -3.04! USER MOD Single : A 55 GLN :FLIP amide:sc= -1.07 F(o=-3.8!,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.3!) USER MOD Single : A 61 SER OG : rot -168:sc= -2.45! USER MOD Single : A 74 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 76 THR OG1 : rot -116:sc= -0.297 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 155:sc= -1 (180deg=-2.54) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -4.151 9.381 7.319 1.00 0.00 N ATOM 312 CA ILE A 22 -5.335 8.833 6.701 1.00 0.00 C ATOM 313 C ILE A 22 -5.268 7.317 6.690 1.00 0.00 C ATOM 314 O ILE A 22 -4.255 6.714 7.045 1.00 0.00 O ATOM 315 CB ILE A 22 -5.555 9.351 5.261 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.502 8.790 4.316 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.551 10.873 5.236 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.678 9.226 2.878 1.00 0.00 C ATOM 0 HA ILE A 22 -6.182 9.167 7.300 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.530 9.006 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.515 9.099 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.529 7.701 4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.707 11.221 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.351 11.249 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.592 11.240 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.891 8.786 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.650 8.893 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.620 10.313 2.818 1.00 0.00 H new ATOM 330 N LYS A 23 -6.344 6.702 6.303 1.00 0.00 N ATOM 331 CA LYS A 23 -6.429 5.260 6.262 1.00 0.00 C ATOM 332 C LYS A 23 -6.657 4.820 4.836 1.00 0.00 C ATOM 333 O LYS A 23 -7.255 5.538 4.069 1.00 0.00 O ATOM 334 CB LYS A 23 -7.596 4.794 7.138 1.00 0.00 C ATOM 335 CG LYS A 23 -7.510 5.274 8.581 1.00 0.00 C ATOM 336 CD LYS A 23 -8.889 5.608 9.157 1.00 0.00 C ATOM 337 CE LYS A 23 -9.516 6.810 8.446 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.731 7.315 9.143 1.00 0.00 N ATOM 0 H LYS A 23 -7.194 7.180 6.004 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.503 4.824 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.530 5.148 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.633 3.705 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.039 4.504 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.872 6.156 8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.545 4.743 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.798 5.820 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.781 7.612 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.777 6.529 7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.853 8.327 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.565 6.791 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.624 7.179 10.169 1.00 0.00 H new ATOM 352 N LEU A 24 -6.134 3.689 4.455 1.00 0.00 N ATOM 353 CA LEU A 24 -6.411 3.161 3.127 1.00 0.00 C ATOM 354 C LEU A 24 -6.581 1.661 3.153 1.00 0.00 C ATOM 355 O LEU A 24 -6.167 0.982 4.103 1.00 0.00 O ATOM 356 CB LEU A 24 -5.340 3.563 2.102 1.00 0.00 C ATOM 357 CG LEU A 24 -5.282 5.047 1.738 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.228 5.750 2.556 1.00 0.00 C ATOM 359 CD2 LEU A 24 -5.024 5.233 0.254 1.00 0.00 C ATOM 0 H LEU A 24 -5.519 3.112 5.029 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.352 3.609 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.365 3.266 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.507 2.992 1.189 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.250 5.492 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.200 6.805 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.466 5.654 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.255 5.299 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.987 6.297 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.073 4.771 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.826 4.765 -0.316 1.00 0.00 H new ATOM 371 N LYS A 25 -7.193 1.139 2.116 1.00 0.00 N ATOM 372 CA LYS A 25 -7.444 -0.271 2.014 1.00 0.00 C ATOM 373 C LYS A 25 -7.058 -0.778 0.646 1.00 0.00 C ATOM 374 O LYS A 25 -7.229 -0.097 -0.359 1.00 0.00 O ATOM 375 CB LYS A 25 -8.918 -0.561 2.315 1.00 0.00 C ATOM 376 CG LYS A 25 -9.285 -2.041 2.352 1.00 0.00 C ATOM 377 CD LYS A 25 -9.803 -2.548 1.013 1.00 0.00 C ATOM 378 CE LYS A 25 -11.062 -1.810 0.564 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.198 -2.002 1.494 1.00 0.00 N ATOM 0 H LYS A 25 -7.529 1.684 1.322 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.833 -0.796 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.173 -0.114 3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.532 -0.068 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.410 -2.622 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.044 -2.205 3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.026 -2.431 0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.016 -3.614 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.843 -0.746 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.348 -2.158 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.075 -1.673 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.287 -3.011 1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.030 -1.457 2.364 1.00 0.00 H new ATOM 393 N VAL A 26 -6.521 -1.967 0.609 1.00 0.00 N ATOM 394 CA VAL A 26 -6.098 -2.574 -0.631 1.00 0.00 C ATOM 395 C VAL A 26 -6.926 -3.801 -0.952 1.00 0.00 C ATOM 396 O VAL A 26 -7.300 -4.564 -0.060 1.00 0.00 O ATOM 397 CB VAL A 26 -4.576 -2.930 -0.590 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.286 -4.313 -1.176 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.783 -1.872 -1.331 1.00 0.00 C ATOM 0 H VAL A 26 -6.363 -2.545 1.435 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.256 -1.845 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.272 -2.955 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.216 -4.513 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.824 -5.070 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.611 -4.343 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.723 -2.124 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.115 -1.828 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.940 -0.902 -0.858 1.00 0.00 H new ATOM 409 N ILE A 27 -7.230 -3.978 -2.221 1.00 0.00 N ATOM 410 CA ILE A 27 -7.932 -5.148 -2.680 1.00 0.00 C ATOM 411 C ILE A 27 -6.934 -6.037 -3.376 1.00 0.00 C ATOM 412 O ILE A 27 -6.343 -5.651 -4.377 1.00 0.00 O ATOM 413 CB ILE A 27 -9.078 -4.804 -3.665 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.139 -3.933 -2.982 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.709 -6.082 -4.219 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.837 -4.613 -1.823 1.00 0.00 C ATOM 0 H ILE A 27 -6.996 -3.313 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.386 -5.640 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.656 -4.238 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.668 -3.018 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.885 -3.639 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.512 -5.822 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.952 -6.663 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.114 -6.674 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.573 -3.934 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.339 -5.513 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.103 -4.882 -1.063 1.00 0.00 H new ATOM 428 N GLY A 28 -6.733 -7.216 -2.857 1.00 0.00 N ATOM 429 CA GLY A 28 -5.767 -8.093 -3.419 1.00 0.00 C ATOM 430 C GLY A 28 -6.347 -8.931 -4.518 1.00 0.00 C ATOM 431 O GLY A 28 -7.564 -9.005 -4.687 1.00 0.00 O ATOM 0 H GLY A 28 -7.230 -7.584 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.931 -7.511 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.368 -8.742 -2.639 1.00 0.00 H new ATOM 435 N GLN A 29 -5.487 -9.586 -5.249 1.00 0.00 N ATOM 436 CA GLN A 29 -5.885 -10.468 -6.345 1.00 0.00 C ATOM 437 C GLN A 29 -6.712 -11.639 -5.822 1.00 0.00 C ATOM 438 O GLN A 29 -7.490 -12.251 -6.547 1.00 0.00 O ATOM 439 CB GLN A 29 -4.638 -10.972 -7.102 1.00 0.00 C ATOM 440 CG GLN A 29 -3.344 -10.840 -6.301 1.00 0.00 C ATOM 441 CD GLN A 29 -3.380 -11.626 -5.004 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.871 -12.748 -4.954 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.949 -11.001 -3.928 1.00 0.00 N ATOM 0 H GLN A 29 -4.478 -9.531 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.506 -9.902 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.784 -12.018 -7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.538 -10.414 -8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.508 -11.186 -6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.163 -9.788 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.546 -10.067 -4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.018 -11.450 -3.015 1.00 0.00 H new ATOM 452 N ASP A 30 -6.545 -11.932 -4.545 1.00 0.00 N ATOM 453 CA ASP A 30 -7.261 -13.011 -3.893 1.00 0.00 C ATOM 454 C ASP A 30 -8.466 -12.447 -3.148 1.00 0.00 C ATOM 455 O ASP A 30 -9.092 -13.127 -2.339 1.00 0.00 O ATOM 456 CB ASP A 30 -6.321 -13.728 -2.917 1.00 0.00 C ATOM 457 CG ASP A 30 -6.767 -15.136 -2.595 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.540 -16.030 -3.432 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.321 -15.358 -1.499 1.00 0.00 O ATOM 0 H ASP A 30 -5.907 -11.426 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.611 -13.725 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.318 -13.759 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.257 -13.153 -1.993 1.00 0.00 H new ATOM 464 N SER A 31 -8.779 -11.173 -3.434 1.00 0.00 N ATOM 465 CA SER A 31 -9.892 -10.449 -2.802 1.00 0.00 C ATOM 466 C SER A 31 -9.559 -10.130 -1.346 1.00 0.00 C ATOM 467 O SER A 31 -10.428 -9.793 -0.544 1.00 0.00 O ATOM 468 CB SER A 31 -11.201 -11.247 -2.907 1.00 0.00 C ATOM 469 OG SER A 31 -11.443 -11.650 -4.249 1.00 0.00 O ATOM 0 H SER A 31 -8.264 -10.614 -4.114 1.00 0.00 H new ATOM 0 HA SER A 31 -10.036 -9.509 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.149 -12.125 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.032 -10.639 -2.550 1.00 0.00 H new ATOM 0 HG SER A 31 -12.280 -12.158 -4.292 1.00 0.00 H new ATOM 475 N SER A 32 -8.283 -10.227 -1.019 1.00 0.00 N ATOM 476 CA SER A 32 -7.801 -9.965 0.317 1.00 0.00 C ATOM 477 C SER A 32 -7.760 -8.462 0.578 1.00 0.00 C ATOM 478 O SER A 32 -7.036 -7.727 -0.092 1.00 0.00 O ATOM 479 CB SER A 32 -6.400 -10.571 0.483 1.00 0.00 C ATOM 480 OG SER A 32 -6.003 -10.595 1.841 1.00 0.00 O ATOM 0 H SER A 32 -7.552 -10.491 -1.679 1.00 0.00 H new ATOM 0 HA SER A 32 -8.478 -10.422 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.391 -11.585 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.681 -9.992 -0.097 1.00 0.00 H new ATOM 0 HG SER A 32 -5.108 -10.988 1.913 1.00 0.00 H new ATOM 486 N GLU A 33 -8.561 -7.998 1.523 1.00 0.00 N ATOM 487 CA GLU A 33 -8.582 -6.593 1.872 1.00 0.00 C ATOM 488 C GLU A 33 -7.566 -6.303 2.950 1.00 0.00 C ATOM 489 O GLU A 33 -7.703 -6.756 4.089 1.00 0.00 O ATOM 490 CB GLU A 33 -9.950 -6.162 2.384 1.00 0.00 C ATOM 491 CG GLU A 33 -11.098 -6.358 1.424 1.00 0.00 C ATOM 492 CD GLU A 33 -12.352 -5.684 1.928 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.014 -6.243 2.823 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.663 -4.577 1.456 1.00 0.00 O ATOM 0 H GLU A 33 -9.205 -8.577 2.061 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.346 -6.038 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.166 -6.715 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.901 -5.107 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.832 -5.954 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.284 -7.423 1.288 1.00 0.00 H new ATOM 501 N ILE A 34 -6.552 -5.561 2.612 1.00 0.00 N ATOM 502 CA ILE A 34 -5.555 -5.173 3.577 1.00 0.00 C ATOM 503 C ILE A 34 -5.849 -3.755 4.045 1.00 0.00 C ATOM 504 O ILE A 34 -6.168 -2.885 3.237 1.00 0.00 O ATOM 505 CB ILE A 34 -4.133 -5.242 2.974 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.892 -6.621 2.331 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.082 -4.963 4.045 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.891 -7.774 3.320 1.00 0.00 C ATOM 0 H ILE A 34 -6.390 -5.208 1.669 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.594 -5.864 4.419 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.047 -4.477 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.663 -6.800 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.936 -6.604 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.088 -5.016 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.241 -3.968 4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.165 -5.705 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.715 -8.709 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.102 -7.621 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.855 -7.820 3.826 1.00 0.00 H new ATOM 520 N HIS A 35 -5.769 -3.515 5.340 1.00 0.00 N ATOM 521 CA HIS A 35 -6.063 -2.197 5.892 1.00 0.00 C ATOM 522 C HIS A 35 -4.815 -1.623 6.523 1.00 0.00 C ATOM 523 O HIS A 35 -4.117 -2.307 7.271 1.00 0.00 O ATOM 524 CB HIS A 35 -7.185 -2.271 6.940 1.00 0.00 C ATOM 525 CG HIS A 35 -8.549 -2.537 6.374 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.684 -1.906 6.824 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.960 -3.392 5.409 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.731 -2.360 6.169 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.323 -3.266 5.303 1.00 0.00 N ATOM 0 H HIS A 35 -5.503 -4.214 6.034 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.398 -1.552 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.944 -3.056 7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.212 -1.332 7.492 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.332 -4.052 4.829 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.753 -2.043 6.316 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.920 -3.787 4.661 1.00 0.00 H new ATOM 538 N PHE A 36 -4.518 -0.380 6.219 1.00 0.00 N ATOM 539 CA PHE A 36 -3.318 0.266 6.736 1.00 0.00 C ATOM 540 C PHE A 36 -3.537 1.757 6.963 1.00 0.00 C ATOM 541 O PHE A 36 -4.522 2.342 6.498 1.00 0.00 O ATOM 542 CB PHE A 36 -2.131 0.024 5.789 1.00 0.00 C ATOM 543 CG PHE A 36 -2.541 -0.071 4.354 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.823 1.060 3.623 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.665 -1.308 3.745 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.220 0.959 2.310 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.064 -1.408 2.438 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.341 -0.274 1.721 1.00 0.00 C ATOM 0 H PHE A 36 -5.089 0.211 5.615 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.088 -0.179 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.411 0.834 5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.624 -0.896 6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.732 2.033 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.445 -2.204 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.437 1.852 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.160 -2.379 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.655 -0.351 0.691 1.00 0.00 H new ATOM 558 N LYS A 37 -2.611 2.371 7.676 1.00 0.00 N ATOM 559 CA LYS A 37 -2.690 3.786 8.001 1.00 0.00 C ATOM 560 C LYS A 37 -1.432 4.514 7.556 1.00 0.00 C ATOM 561 O LYS A 37 -0.322 4.178 7.980 1.00 0.00 O ATOM 562 CB LYS A 37 -2.891 3.975 9.503 1.00 0.00 C ATOM 563 CG LYS A 37 -4.192 3.401 10.034 1.00 0.00 C ATOM 564 CD LYS A 37 -4.311 3.622 11.529 1.00 0.00 C ATOM 565 CE LYS A 37 -5.711 3.324 12.024 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.882 3.710 13.445 1.00 0.00 N ATOM 0 H LYS A 37 -1.783 1.905 8.047 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.543 4.207 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.059 3.509 10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.857 5.040 9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.035 3.869 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.240 2.334 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.596 2.985 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.051 4.653 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.436 3.860 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.920 2.261 11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.852 3.492 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.207 3.180 14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.707 4.730 13.551 1.00 0.00 H new ATOM 580 N VAL A 38 -1.592 5.509 6.700 1.00 0.00 N ATOM 581 CA VAL A 38 -0.464 6.291 6.208 1.00 0.00 C ATOM 582 C VAL A 38 -0.836 7.769 6.146 1.00 0.00 C ATOM 583 O VAL A 38 -2.008 8.122 6.090 1.00 0.00 O ATOM 584 CB VAL A 38 0.023 5.820 4.801 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.439 4.354 4.817 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.041 6.058 3.747 1.00 0.00 C ATOM 0 H VAL A 38 -2.497 5.798 6.328 1.00 0.00 H new ATOM 0 HA VAL A 38 0.356 6.139 6.910 1.00 0.00 H new ATOM 0 HB VAL A 38 0.899 6.416 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.772 4.060 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.253 4.215 5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.410 3.738 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.675 5.721 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.942 5.503 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.272 7.122 3.697 1.00 0.00 H new ATOM 596 N LYS A 39 0.149 8.634 6.180 1.00 0.00 N ATOM 597 CA LYS A 39 -0.100 10.059 6.123 1.00 0.00 C ATOM 598 C LYS A 39 -0.250 10.526 4.664 1.00 0.00 C ATOM 599 O LYS A 39 0.075 9.798 3.735 1.00 0.00 O ATOM 600 CB LYS A 39 1.021 10.811 6.834 1.00 0.00 C ATOM 601 CG LYS A 39 0.704 12.260 7.104 1.00 0.00 C ATOM 602 CD LYS A 39 1.793 12.928 7.907 1.00 0.00 C ATOM 603 CE LYS A 39 1.535 14.412 8.019 1.00 0.00 C ATOM 604 NZ LYS A 39 2.460 15.075 8.971 1.00 0.00 N ATOM 0 H LYS A 39 1.134 8.378 6.247 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.037 10.277 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.237 10.314 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.926 10.753 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.574 12.787 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.241 12.332 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.842 12.486 8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.760 12.756 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.638 14.872 7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.507 14.576 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.244 16.091 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.344 14.656 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.441 14.943 8.651 1.00 0.00 H new ATOM 618 N MET A 40 -0.736 11.748 4.465 1.00 0.00 N ATOM 619 CA MET A 40 -0.981 12.265 3.117 1.00 0.00 C ATOM 620 C MET A 40 0.305 12.621 2.374 1.00 0.00 C ATOM 621 O MET A 40 0.409 12.417 1.165 1.00 0.00 O ATOM 622 CB MET A 40 -1.919 13.478 3.157 1.00 0.00 C ATOM 623 CG MET A 40 -3.369 13.134 3.459 1.00 0.00 C ATOM 624 SD MET A 40 -4.449 13.276 2.013 1.00 0.00 S ATOM 625 CE MET A 40 -3.650 12.163 0.858 1.00 0.00 C ATOM 0 H MET A 40 -0.968 12.399 5.215 1.00 0.00 H new ATOM 0 HA MET A 40 -1.460 11.457 2.563 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.558 14.177 3.911 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.871 13.992 2.197 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.422 12.116 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.736 13.793 4.245 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.120 12.256 -0.121 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.593 12.418 0.779 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.750 11.137 1.213 1.00 0.00 H new ATOM 635 N THR A 41 1.291 13.139 3.087 1.00 0.00 N ATOM 636 CA THR A 41 2.536 13.568 2.460 1.00 0.00 C ATOM 637 C THR A 41 3.624 12.486 2.540 1.00 0.00 C ATOM 638 O THR A 41 4.806 12.757 2.306 1.00 0.00 O ATOM 639 CB THR A 41 3.060 14.889 3.096 1.00 0.00 C ATOM 640 OG1 THR A 41 4.223 15.352 2.392 1.00 0.00 O ATOM 641 CG2 THR A 41 3.408 14.686 4.564 1.00 0.00 C ATOM 0 H THR A 41 1.257 13.274 4.098 1.00 0.00 H new ATOM 0 HA THR A 41 2.310 13.745 1.408 1.00 0.00 H new ATOM 0 HB THR A 41 2.267 15.634 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.776 14.585 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.772 15.624 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.519 14.365 5.107 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.183 13.924 4.652 1.00 0.00 H new ATOM 649 N THR A 42 3.242 11.260 2.841 1.00 0.00 N ATOM 650 CA THR A 42 4.215 10.192 2.942 1.00 0.00 C ATOM 651 C THR A 42 4.327 9.462 1.605 1.00 0.00 C ATOM 652 O THR A 42 3.547 9.709 0.685 1.00 0.00 O ATOM 653 CB THR A 42 3.867 9.191 4.081 1.00 0.00 C ATOM 654 OG1 THR A 42 5.022 8.406 4.412 1.00 0.00 O ATOM 655 CG2 THR A 42 2.736 8.257 3.671 1.00 0.00 C ATOM 0 H THR A 42 2.277 10.982 3.018 1.00 0.00 H new ATOM 0 HA THR A 42 5.177 10.641 3.191 1.00 0.00 H new ATOM 0 HB THR A 42 3.546 9.771 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.847 7.895 5.230 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.517 7.570 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.846 8.843 3.441 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.035 7.689 2.790 1.00 0.00 H new ATOM 663 N HIS A 43 5.293 8.574 1.486 1.00 0.00 N ATOM 664 CA HIS A 43 5.484 7.838 0.250 1.00 0.00 C ATOM 665 C HIS A 43 4.653 6.567 0.234 1.00 0.00 C ATOM 666 O HIS A 43 4.526 5.872 1.241 1.00 0.00 O ATOM 667 CB HIS A 43 6.959 7.506 0.019 1.00 0.00 C ATOM 668 CG HIS A 43 7.791 8.667 -0.435 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.163 8.681 -0.359 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.440 9.849 -0.991 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.619 9.818 -0.843 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.594 10.544 -1.234 1.00 0.00 N ATOM 0 H HIS A 43 5.956 8.344 2.226 1.00 0.00 H new ATOM 0 HA HIS A 43 5.148 8.482 -0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.380 7.113 0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.028 6.712 -0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.435 10.183 -1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.658 10.105 -0.908 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.650 11.473 -1.650 1.00 0.00 H new ATOM 681 N LEU A 44 4.103 6.260 -0.927 1.00 0.00 N ATOM 682 CA LEU A 44 3.270 5.077 -1.123 1.00 0.00 C ATOM 683 C LEU A 44 4.118 3.826 -1.039 1.00 0.00 C ATOM 684 O LEU A 44 3.607 2.719 -0.896 1.00 0.00 O ATOM 685 CB LEU A 44 2.589 5.141 -2.500 1.00 0.00 C ATOM 686 CG LEU A 44 1.060 5.016 -2.529 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.615 3.661 -2.028 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.417 6.115 -1.719 1.00 0.00 C ATOM 0 H LEU A 44 4.220 6.825 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 44 2.510 5.049 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.860 6.087 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.005 4.348 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 44 0.738 5.117 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.473 3.601 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.040 2.882 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.956 3.522 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.667 6.006 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.755 6.050 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.698 7.084 -2.132 1.00 0.00 H new ATOM 700 N LYS A 45 5.429 4.011 -1.128 1.00 0.00 N ATOM 701 CA LYS A 45 6.374 2.917 -1.082 1.00 0.00 C ATOM 702 C LYS A 45 6.194 2.064 0.161 1.00 0.00 C ATOM 703 O LYS A 45 6.156 0.850 0.074 1.00 0.00 O ATOM 704 CB LYS A 45 7.810 3.439 -1.194 1.00 0.00 C ATOM 705 CG LYS A 45 8.229 4.410 -0.095 1.00 0.00 C ATOM 706 CD LYS A 45 8.934 3.696 1.051 1.00 0.00 C ATOM 707 CE LYS A 45 10.242 3.059 0.610 1.00 0.00 C ATOM 708 NZ LYS A 45 10.752 2.105 1.627 1.00 0.00 N ATOM 0 H LYS A 45 5.862 4.928 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 45 6.175 2.274 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.492 2.588 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.927 3.933 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.891 5.169 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.350 4.929 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.130 4.406 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.276 2.928 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.094 2.539 -0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.985 3.836 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.678 1.739 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.852 2.592 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.084 1.314 1.727 1.00 0.00 H new ATOM 722 N LYS A 46 6.035 2.702 1.316 1.00 0.00 N ATOM 723 CA LYS A 46 5.893 1.977 2.569 1.00 0.00 C ATOM 724 C LYS A 46 4.562 1.253 2.615 1.00 0.00 C ATOM 725 O LYS A 46 4.429 0.213 3.234 1.00 0.00 O ATOM 726 CB LYS A 46 6.033 2.926 3.768 1.00 0.00 C ATOM 727 CG LYS A 46 4.970 4.018 3.835 1.00 0.00 C ATOM 728 CD LYS A 46 5.194 4.952 5.018 1.00 0.00 C ATOM 729 CE LYS A 46 5.159 4.201 6.341 1.00 0.00 C ATOM 730 NZ LYS A 46 5.381 5.100 7.496 1.00 0.00 N ATOM 0 H LYS A 46 6.002 3.717 1.408 1.00 0.00 H new ATOM 0 HA LYS A 46 6.691 1.237 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.993 2.340 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.016 3.395 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.981 4.594 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.984 3.561 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.156 5.453 4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.428 5.728 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.196 3.703 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.922 3.422 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.349 4.548 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.311 5.556 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.639 5.828 7.517 1.00 0.00 H new ATOM 744 N LEU A 47 3.585 1.807 1.935 1.00 0.00 N ATOM 745 CA LEU A 47 2.251 1.249 1.880 1.00 0.00 C ATOM 746 C LEU A 47 2.233 -0.013 1.013 1.00 0.00 C ATOM 747 O LEU A 47 1.730 -1.061 1.424 1.00 0.00 O ATOM 748 CB LEU A 47 1.300 2.322 1.320 1.00 0.00 C ATOM 749 CG LEU A 47 -0.204 2.011 1.303 1.00 0.00 C ATOM 750 CD1 LEU A 47 -0.998 3.304 1.181 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.563 1.073 0.152 1.00 0.00 C ATOM 0 H LEU A 47 3.694 2.667 1.398 1.00 0.00 H new ATOM 0 HA LEU A 47 1.924 0.960 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.446 3.234 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.608 2.541 0.298 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.457 1.513 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.064 3.077 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.774 3.950 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.725 3.812 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.634 0.872 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.295 1.540 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.016 0.136 0.262 1.00 0.00 H new ATOM 763 N LYS A 48 2.798 0.090 -0.186 1.00 0.00 N ATOM 764 CA LYS A 48 2.816 -1.027 -1.124 1.00 0.00 C ATOM 765 C LYS A 48 3.581 -2.218 -0.557 1.00 0.00 C ATOM 766 O LYS A 48 3.141 -3.362 -0.665 1.00 0.00 O ATOM 767 CB LYS A 48 3.350 -0.592 -2.514 1.00 0.00 C ATOM 768 CG LYS A 48 4.592 0.286 -2.467 1.00 0.00 C ATOM 769 CD LYS A 48 4.857 0.991 -3.800 1.00 0.00 C ATOM 770 CE LYS A 48 5.445 0.060 -4.840 1.00 0.00 C ATOM 771 NZ LYS A 48 6.795 -0.441 -4.455 1.00 0.00 N ATOM 0 H LYS A 48 3.250 0.937 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 48 1.787 -1.354 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.573 -1.484 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.561 -0.055 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.477 1.032 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.456 -0.324 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.924 1.410 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.539 1.826 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.774 -0.787 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.513 0.582 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.076 -1.210 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.485 0.334 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.768 -0.797 -3.478 1.00 0.00 H new ATOM 785 N GLU A 49 4.701 -1.953 0.082 1.00 0.00 N ATOM 786 CA GLU A 49 5.481 -3.019 0.701 1.00 0.00 C ATOM 787 C GLU A 49 4.776 -3.549 1.954 1.00 0.00 C ATOM 788 O GLU A 49 4.878 -4.730 2.288 1.00 0.00 O ATOM 789 CB GLU A 49 6.904 -2.546 1.034 1.00 0.00 C ATOM 790 CG GLU A 49 6.955 -1.248 1.815 1.00 0.00 C ATOM 791 CD GLU A 49 8.360 -0.842 2.211 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.822 -1.267 3.289 1.00 0.00 O ATOM 793 OE2 GLU A 49 9.007 -0.084 1.446 1.00 0.00 O ATOM 0 H GLU A 49 5.095 -1.018 0.189 1.00 0.00 H new ATOM 0 HA GLU A 49 5.562 -3.835 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.409 -3.323 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.461 -2.422 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.510 -0.454 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.346 -1.348 2.714 1.00 0.00 H new ATOM 800 N SER A 50 4.029 -2.677 2.627 1.00 0.00 N ATOM 801 CA SER A 50 3.329 -3.048 3.849 1.00 0.00 C ATOM 802 C SER A 50 2.195 -4.025 3.568 1.00 0.00 C ATOM 803 O SER A 50 2.028 -5.016 4.275 1.00 0.00 O ATOM 804 CB SER A 50 2.790 -1.809 4.569 1.00 0.00 C ATOM 805 OG SER A 50 2.210 -2.153 5.814 1.00 0.00 O ATOM 0 H SER A 50 3.894 -1.706 2.344 1.00 0.00 H new ATOM 0 HA SER A 50 4.051 -3.543 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.599 -1.096 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.047 -1.315 3.943 1.00 0.00 H new ATOM 0 HG SER A 50 1.875 -1.344 6.254 1.00 0.00 H new ATOM 811 N TYR A 51 1.418 -3.781 2.527 1.00 0.00 N ATOM 812 CA TYR A 51 0.311 -4.666 2.241 1.00 0.00 C ATOM 813 C TYR A 51 0.821 -5.965 1.618 1.00 0.00 C ATOM 814 O TYR A 51 0.260 -7.037 1.842 1.00 0.00 O ATOM 815 CB TYR A 51 -0.761 -3.988 1.358 1.00 0.00 C ATOM 816 CG TYR A 51 -0.526 -4.076 -0.134 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.886 -5.213 -0.842 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.039 -3.025 -0.831 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.685 -5.305 -2.194 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.246 -3.108 -2.196 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.118 -4.251 -2.869 1.00 0.00 C ATOM 822 OH TYR A 51 0.087 -4.339 -4.217 1.00 0.00 O ATOM 0 H TYR A 51 1.530 -2.998 1.883 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.179 -4.908 3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.729 -4.436 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.824 -2.936 1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.334 -6.043 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.323 -2.127 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.970 -6.200 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.690 -2.281 -2.730 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.565 -4.958 -4.607 1.00 0.00 H new ATOM 832 N CYS A 52 1.911 -5.875 0.851 1.00 0.00 N ATOM 833 CA CYS A 52 2.486 -7.050 0.212 1.00 0.00 C ATOM 834 C CYS A 52 3.009 -8.011 1.244 1.00 0.00 C ATOM 835 O CYS A 52 2.796 -9.227 1.155 1.00 0.00 O ATOM 836 CB CYS A 52 3.605 -6.664 -0.742 1.00 0.00 C ATOM 837 SG CYS A 52 3.052 -5.794 -2.221 1.00 0.00 S ATOM 0 H CYS A 52 2.407 -5.004 0.661 1.00 0.00 H new ATOM 0 HA CYS A 52 1.695 -7.535 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.319 -6.035 -0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.137 -7.566 -1.043 1.00 0.00 H new ATOM 0 HG CYS A 52 2.938 -4.525 -1.961 1.00 0.00 H new ATOM 843 N GLN A 53 3.675 -7.473 2.251 1.00 0.00 N ATOM 844 CA GLN A 53 4.227 -8.287 3.294 1.00 0.00 C ATOM 845 C GLN A 53 3.097 -8.917 4.104 1.00 0.00 C ATOM 846 O GLN A 53 3.211 -10.049 4.566 1.00 0.00 O ATOM 847 CB GLN A 53 5.133 -7.460 4.212 1.00 0.00 C ATOM 848 CG GLN A 53 4.358 -6.534 5.120 1.00 0.00 C ATOM 849 CD GLN A 53 5.207 -5.773 6.096 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.311 -6.189 6.444 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.667 -4.687 6.595 1.00 0.00 N ATOM 0 H GLN A 53 3.841 -6.472 2.359 1.00 0.00 H new ATOM 0 HA GLN A 53 4.831 -9.072 2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.739 -8.133 4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.821 -6.873 3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.804 -5.823 4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.623 -7.118 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.748 -4.381 6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.166 -4.148 7.303 1.00 0.00 H new ATOM 860 N ARG A 54 1.988 -8.161 4.291 1.00 0.00 N ATOM 861 CA ARG A 54 0.826 -8.653 5.025 1.00 0.00 C ATOM 862 C ARG A 54 0.289 -9.935 4.412 1.00 0.00 C ATOM 863 O ARG A 54 -0.120 -10.857 5.115 1.00 0.00 O ATOM 864 CB ARG A 54 -0.283 -7.591 5.055 1.00 0.00 C ATOM 865 CG ARG A 54 -0.071 -6.470 6.070 1.00 0.00 C ATOM 866 CD ARG A 54 -0.490 -6.891 7.478 1.00 0.00 C ATOM 867 NE ARG A 54 0.319 -7.993 7.999 1.00 0.00 N ATOM 868 CZ ARG A 54 -0.123 -8.915 8.861 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.365 -8.855 9.335 1.00 0.00 N ATOM 870 NH2 ARG A 54 0.685 -9.890 9.254 1.00 0.00 N ATOM 0 H ARG A 54 1.886 -7.209 3.938 1.00 0.00 H new ATOM 0 HA ARG A 54 1.148 -8.865 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.371 -7.151 4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.231 -8.083 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.979 -6.179 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.643 -5.593 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.408 -6.036 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.539 -7.188 7.468 1.00 0.00 H new ATOM 0 HE ARG A 54 1.286 -8.063 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.987 -8.102 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.695 -9.562 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.640 -9.935 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.351 -10.595 9.911 1.00 0.00 H new ATOM 884 N GLN A 55 0.290 -9.989 3.089 1.00 0.00 N ATOM 885 CA GLN A 55 -0.195 -11.156 2.367 1.00 0.00 C ATOM 886 C GLN A 55 0.836 -12.270 2.384 1.00 0.00 C ATOM 887 O GLN A 55 0.509 -13.438 2.187 1.00 0.00 O ATOM 888 CB GLN A 55 -0.510 -10.776 0.929 1.00 0.00 C ATOM 889 CG GLN A 55 -1.694 -9.839 0.788 1.00 0.00 C ATOM 890 CD GLN A 55 -1.561 -8.909 -0.402 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.345 -8.473 -0.672 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.547 -8.563 -1.052 1.00 0.00 N flip ATOM 0 H GLN A 55 0.623 -9.234 2.490 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.099 -11.513 2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.368 -10.306 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.707 -11.683 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.607 -10.426 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.795 -9.247 1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.470 -8.924 -0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.441 -7.915 -1.833 1.00 0.00 H new ATOM 901 N GLY A 56 2.083 -11.913 2.625 1.00 0.00 N ATOM 902 CA GLY A 56 3.141 -12.899 2.665 1.00 0.00 C ATOM 903 C GLY A 56 3.617 -13.270 1.281 1.00 0.00 C ATOM 904 O GLY A 56 4.002 -14.417 1.028 1.00 0.00 O ATOM 0 H GLY A 56 2.385 -10.954 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.978 -12.510 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.786 -13.792 3.178 1.00 0.00 H new ATOM 908 N VAL A 57 3.597 -12.304 0.369 1.00 0.00 N ATOM 909 CA VAL A 57 4.004 -12.542 -1.008 1.00 0.00 C ATOM 910 C VAL A 57 4.936 -11.436 -1.495 1.00 0.00 C ATOM 911 O VAL A 57 4.868 -10.297 -1.014 1.00 0.00 O ATOM 912 CB VAL A 57 2.778 -12.633 -1.967 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.840 -13.757 -1.552 1.00 0.00 C ATOM 914 CG2 VAL A 57 2.032 -11.304 -2.031 1.00 0.00 C ATOM 0 H VAL A 57 3.302 -11.347 0.561 1.00 0.00 H new ATOM 0 HA VAL A 57 4.528 -13.498 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 57 3.155 -12.858 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.994 -13.797 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.375 -14.706 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.478 -13.574 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.182 -11.396 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.677 -11.038 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.703 -10.527 -2.396 1.00 0.00 H new ATOM 924 N PRO A 58 5.843 -11.761 -2.428 1.00 0.00 N ATOM 925 CA PRO A 58 6.742 -10.782 -3.021 1.00 0.00 C ATOM 926 C PRO A 58 5.978 -9.746 -3.840 1.00 0.00 C ATOM 927 O PRO A 58 4.933 -10.039 -4.436 1.00 0.00 O ATOM 928 CB PRO A 58 7.654 -11.615 -3.921 1.00 0.00 C ATOM 929 CG PRO A 58 6.900 -12.869 -4.177 1.00 0.00 C ATOM 930 CD PRO A 58 6.073 -13.112 -2.955 1.00 0.00 C ATOM 0 HA PRO A 58 7.290 -10.217 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.876 -11.091 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.608 -11.820 -3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.270 -12.771 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.579 -13.702 -4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.136 -13.614 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.595 -13.741 -2.234 1.00 0.00 H new ATOM 938 N MET A 59 6.511 -8.542 -3.896 1.00 0.00 N ATOM 939 CA MET A 59 5.859 -7.429 -4.582 1.00 0.00 C ATOM 940 C MET A 59 5.941 -7.580 -6.093 1.00 0.00 C ATOM 941 O MET A 59 5.313 -6.841 -6.840 1.00 0.00 O ATOM 942 CB MET A 59 6.492 -6.114 -4.151 1.00 0.00 C ATOM 943 CG MET A 59 6.536 -5.937 -2.648 1.00 0.00 C ATOM 944 SD MET A 59 7.218 -4.351 -2.142 1.00 0.00 S ATOM 945 CE MET A 59 6.012 -3.233 -2.836 1.00 0.00 C ATOM 0 H MET A 59 7.406 -8.301 -3.470 1.00 0.00 H new ATOM 0 HA MET A 59 4.805 -7.432 -4.305 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.506 -6.060 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.934 -5.288 -4.591 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.527 -6.036 -2.247 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.133 -6.738 -2.211 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.978 -2.320 -2.242 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.290 -2.989 -3.861 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.030 -3.707 -2.830 1.00 0.00 H new ATOM 955 N ASN A 60 6.706 -8.553 -6.539 1.00 0.00 N ATOM 956 CA ASN A 60 6.891 -8.800 -7.958 1.00 0.00 C ATOM 957 C ASN A 60 5.860 -9.787 -8.479 1.00 0.00 C ATOM 958 O ASN A 60 5.731 -9.997 -9.676 1.00 0.00 O ATOM 959 CB ASN A 60 8.308 -9.319 -8.226 1.00 0.00 C ATOM 960 CG ASN A 60 8.710 -10.425 -7.266 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.260 -10.159 -6.200 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.443 -11.661 -7.628 1.00 0.00 N ATOM 0 H ASN A 60 7.217 -9.195 -5.933 1.00 0.00 H new ATOM 0 HA ASN A 60 6.754 -7.857 -8.487 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.369 -9.690 -9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.016 -8.494 -8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.694 -12.437 -7.016 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.985 -11.843 -8.521 1.00 0.00 H new ATOM 969 N SER A 61 5.129 -10.405 -7.575 1.00 0.00 N ATOM 970 CA SER A 61 4.112 -11.363 -7.953 1.00 0.00 C ATOM 971 C SER A 61 2.771 -10.683 -8.220 1.00 0.00 C ATOM 972 O SER A 61 1.892 -11.244 -8.884 1.00 0.00 O ATOM 973 CB SER A 61 3.959 -12.411 -6.859 1.00 0.00 C ATOM 974 OG SER A 61 5.152 -13.153 -6.702 1.00 0.00 O ATOM 0 H SER A 61 5.221 -10.260 -6.570 1.00 0.00 H new ATOM 0 HA SER A 61 4.429 -11.844 -8.878 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.701 -11.925 -5.918 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.137 -13.083 -7.106 1.00 0.00 H new ATOM 0 HG SER A 61 4.979 -13.935 -6.138 1.00 0.00 H new ATOM 980 N LEU A 62 2.601 -9.477 -7.719 1.00 0.00 N ATOM 981 CA LEU A 62 1.346 -8.774 -7.884 1.00 0.00 C ATOM 982 C LEU A 62 1.521 -7.370 -8.461 1.00 0.00 C ATOM 983 O LEU A 62 2.630 -6.855 -8.561 1.00 0.00 O ATOM 984 CB LEU A 62 0.566 -8.757 -6.568 1.00 0.00 C ATOM 985 CG LEU A 62 1.368 -8.443 -5.306 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.765 -6.976 -5.256 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.576 -8.837 -4.073 1.00 0.00 C ATOM 0 H LEU A 62 3.312 -8.965 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 62 0.763 -9.324 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.235 -8.023 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.093 -9.731 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 62 2.288 -9.028 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.334 -6.784 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.377 -6.735 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.868 -6.356 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.157 -8.609 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.361 -8.280 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.362 -9.905 -4.104 1.00 0.00 H new ATOM 999 N ARG A 63 0.403 -6.755 -8.821 1.00 0.00 N ATOM 1000 CA ARG A 63 0.391 -5.445 -9.452 1.00 0.00 C ATOM 1001 C ARG A 63 -0.389 -4.449 -8.613 1.00 0.00 C ATOM 1002 O ARG A 63 -1.577 -4.633 -8.364 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.238 -5.531 -10.851 1.00 0.00 C ATOM 1004 CG ARG A 63 0.501 -6.447 -11.807 1.00 0.00 C ATOM 1005 CD ARG A 63 -0.128 -6.446 -13.197 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.318 -7.310 -13.285 1.00 0.00 N ATOM 1007 CZ ARG A 63 -2.488 -6.939 -13.824 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -2.682 -5.679 -14.210 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.473 -7.826 -13.961 1.00 0.00 N ATOM 0 H ARG A 63 -0.525 -7.154 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 63 1.423 -5.106 -9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.267 -5.878 -10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.278 -4.530 -11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.542 -6.132 -11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.502 -7.462 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.404 -5.426 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.611 -6.778 -13.926 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.247 -8.256 -12.910 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.938 -4.990 -14.096 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.574 -5.403 -14.619 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.338 -8.790 -13.655 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.362 -7.541 -14.371 1.00 0.00 H new ATOM 1023 N PHE A 64 0.277 -3.402 -8.177 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.356 -2.353 -7.390 1.00 0.00 C ATOM 1025 C PHE A 64 -0.643 -1.126 -8.245 1.00 0.00 C ATOM 1026 O PHE A 64 0.276 -0.479 -8.763 1.00 0.00 O ATOM 1027 CB PHE A 64 0.523 -1.974 -6.183 1.00 0.00 C ATOM 1028 CG PHE A 64 2.004 -2.216 -6.390 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.707 -1.541 -7.379 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.687 -3.126 -5.598 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.052 -1.773 -7.574 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.031 -3.359 -5.789 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.716 -2.684 -6.778 1.00 0.00 C ATOM 0 H PHE A 64 1.270 -3.249 -8.355 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.306 -2.738 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.368 -0.920 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.192 -2.543 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.194 -0.825 -8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.159 -3.659 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.585 -1.242 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.549 -4.071 -5.164 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.769 -2.868 -6.929 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.912 -0.799 -8.410 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.281 0.356 -9.194 1.00 0.00 C ATOM 1045 C LEU A 65 -3.491 1.070 -8.594 1.00 0.00 C ATOM 1046 O LEU A 65 -4.223 0.514 -7.780 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.508 -0.019 -10.698 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.828 -0.720 -11.092 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.146 -1.867 -10.168 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -4.984 0.276 -11.164 1.00 0.00 C ATOM 0 H LEU A 65 -2.697 -1.316 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.446 1.057 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.432 0.897 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.685 -0.664 -11.007 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.690 -1.138 -12.089 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.081 -2.335 -10.477 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.342 -2.601 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.246 -1.496 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.898 -0.247 -11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.119 0.748 -10.191 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.761 1.039 -11.909 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.692 2.296 -8.998 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.797 3.095 -8.533 1.00 0.00 C ATOM 1064 C PHE A 66 -5.299 3.951 -9.662 1.00 0.00 C ATOM 1065 O PHE A 66 -4.505 4.541 -10.378 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.358 3.968 -7.364 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.413 4.897 -6.873 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.447 4.433 -6.096 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.360 6.242 -7.179 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.414 5.291 -5.626 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.323 7.106 -6.718 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.352 6.632 -5.938 1.00 0.00 C ATOM 0 H PHE A 66 -3.088 2.774 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.599 2.441 -8.192 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.043 3.325 -6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.487 4.550 -7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.501 3.382 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.552 6.619 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.220 4.915 -5.014 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.272 8.156 -6.967 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.109 7.309 -5.571 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.625 3.998 -9.831 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.295 4.769 -10.898 1.00 0.00 C ATOM 1084 C GLU A 67 -6.681 4.503 -12.288 1.00 0.00 C ATOM 1085 O GLU A 67 -6.768 5.331 -13.201 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.325 6.284 -10.592 1.00 0.00 C ATOM 1087 CG GLU A 67 -5.988 6.978 -10.698 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.124 8.477 -10.792 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.293 8.993 -11.916 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.068 9.146 -9.751 1.00 0.00 O ATOM 0 H GLU A 67 -7.276 3.497 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.326 4.415 -10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.023 6.765 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.715 6.429 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.380 6.725 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.458 6.608 -11.576 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.108 3.323 -12.463 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.491 2.971 -13.726 1.00 0.00 C ATOM 1099 C GLY A 68 -4.038 3.405 -13.838 1.00 0.00 C ATOM 1100 O GLY A 68 -3.496 3.502 -14.937 1.00 0.00 O ATOM 0 H GLY A 68 -6.059 2.597 -11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.550 1.891 -13.861 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.060 3.425 -14.537 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.394 3.658 -12.715 1.00 0.00 N ATOM 1105 CA GLN A 69 -1.998 4.080 -12.718 1.00 0.00 C ATOM 1106 C GLN A 69 -1.201 3.201 -11.770 1.00 0.00 C ATOM 1107 O GLN A 69 -1.667 2.877 -10.683 1.00 0.00 O ATOM 1108 CB GLN A 69 -1.875 5.555 -12.281 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.625 5.737 -10.787 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.743 7.164 -10.333 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -0.785 7.930 -10.396 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -2.898 7.512 -9.823 1.00 0.00 N ATOM 0 H GLN A 69 -3.811 3.580 -11.787 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.605 3.982 -13.730 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.061 6.022 -12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.789 6.082 -12.554 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.335 5.126 -10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.629 5.367 -10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.665 6.840 -9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.030 8.455 -9.456 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.021 2.785 -12.172 1.00 0.00 N ATOM 1122 CA ARG A 70 0.815 1.973 -11.306 1.00 0.00 C ATOM 1123 C ARG A 70 1.313 2.800 -10.129 1.00 0.00 C ATOM 1124 O ARG A 70 1.530 4.016 -10.242 1.00 0.00 O ATOM 1125 CB ARG A 70 1.999 1.349 -12.084 1.00 0.00 C ATOM 1126 CG ARG A 70 3.203 2.272 -12.322 1.00 0.00 C ATOM 1127 CD ARG A 70 2.837 3.527 -13.107 1.00 0.00 C ATOM 1128 NE ARG A 70 2.178 3.226 -14.375 1.00 0.00 N ATOM 1129 CZ ARG A 70 1.643 4.150 -15.176 1.00 0.00 C ATOM 1130 NH1 ARG A 70 1.722 5.438 -14.859 1.00 0.00 N ATOM 1131 NH2 ARG A 70 1.048 3.786 -16.296 1.00 0.00 N ATOM 0 H ARG A 70 0.382 2.992 -13.086 1.00 0.00 H new ATOM 0 HA ARG A 70 0.209 1.152 -10.923 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.342 0.468 -11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.632 1.005 -13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.629 2.561 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.975 1.723 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.181 4.152 -12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.740 4.106 -13.300 1.00 0.00 H new ATOM 0 HE ARG A 70 2.123 2.250 -14.666 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.193 5.724 -14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.312 6.141 -15.474 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.997 2.799 -16.549 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.639 4.491 -16.909 1.00 0.00 H new ATOM 1145 N ILE A 71 1.467 2.173 -9.000 1.00 0.00 N ATOM 1146 CA ILE A 71 1.924 2.868 -7.831 1.00 0.00 C ATOM 1147 C ILE A 71 3.431 2.757 -7.713 1.00 0.00 C ATOM 1148 O ILE A 71 3.976 1.663 -7.596 1.00 0.00 O ATOM 1149 CB ILE A 71 1.274 2.318 -6.550 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.250 2.195 -6.717 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.608 3.212 -5.375 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -0.933 3.469 -7.175 1.00 0.00 C ATOM 0 H ILE A 71 1.283 1.179 -8.863 1.00 0.00 H new ATOM 0 HA ILE A 71 1.635 3.913 -7.940 1.00 0.00 H new ATOM 0 HB ILE A 71 1.673 1.322 -6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.462 1.404 -7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.684 1.886 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.144 2.815 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.689 3.248 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.232 4.217 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.005 3.294 -7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.755 4.259 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.530 3.770 -8.142 1.00 0.00 H new ATOM 1164 N ALA A 72 4.112 3.887 -7.740 1.00 0.00 N ATOM 1165 CA ALA A 72 5.546 3.893 -7.646 1.00 0.00 C ATOM 1166 C ALA A 72 5.953 4.156 -6.220 1.00 0.00 C ATOM 1167 O ALA A 72 5.150 4.629 -5.415 1.00 0.00 O ATOM 1168 CB ALA A 72 6.136 4.941 -8.572 1.00 0.00 C ATOM 0 H ALA A 72 3.687 4.810 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 72 5.929 2.920 -7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.223 4.931 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.850 4.720 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.759 5.925 -8.294 1.00 0.00 H new ATOM 1174 N ASP A 73 7.192 3.868 -5.899 1.00 0.00 N ATOM 1175 CA ASP A 73 7.696 4.057 -4.543 1.00 0.00 C ATOM 1176 C ASP A 73 7.701 5.528 -4.171 1.00 0.00 C ATOM 1177 O ASP A 73 7.533 5.899 -3.011 1.00 0.00 O ATOM 1178 CB ASP A 73 9.111 3.496 -4.417 1.00 0.00 C ATOM 1179 CG ASP A 73 9.215 2.084 -4.911 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.825 1.167 -4.175 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.671 1.887 -6.054 1.00 0.00 O ATOM 0 H ASP A 73 7.879 3.499 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 73 7.035 3.522 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.800 4.126 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.423 3.536 -3.373 1.00 0.00 H new ATOM 1186 N ASN A 74 7.838 6.372 -5.168 1.00 0.00 N ATOM 1187 CA ASN A 74 7.935 7.797 -4.945 1.00 0.00 C ATOM 1188 C ASN A 74 6.575 8.437 -5.095 1.00 0.00 C ATOM 1189 O ASN A 74 6.432 9.654 -5.007 1.00 0.00 O ATOM 1190 CB ASN A 74 8.910 8.422 -5.938 1.00 0.00 C ATOM 1191 CG ASN A 74 10.165 7.602 -6.095 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.137 7.779 -5.359 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.160 6.711 -7.064 1.00 0.00 N ATOM 0 H ASN A 74 7.885 6.094 -6.148 1.00 0.00 H new ATOM 0 HA ASN A 74 8.302 7.967 -3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.422 8.526 -6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.173 9.426 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.984 6.133 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.332 6.599 -7.649 1.00 0.00 H new ATOM 1200 N HIS A 75 5.560 7.613 -5.307 1.00 0.00 N ATOM 1201 CA HIS A 75 4.206 8.117 -5.466 1.00 0.00 C ATOM 1202 C HIS A 75 3.615 8.409 -4.109 1.00 0.00 C ATOM 1203 O HIS A 75 3.884 7.702 -3.154 1.00 0.00 O ATOM 1204 CB HIS A 75 3.317 7.120 -6.225 1.00 0.00 C ATOM 1205 CG HIS A 75 3.177 7.412 -7.694 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.441 6.620 -8.559 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.661 8.427 -8.446 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.487 7.138 -9.770 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.216 8.230 -9.728 1.00 0.00 N ATOM 0 H HIS A 75 5.648 6.599 -5.372 1.00 0.00 H new ATOM 0 HA HIS A 75 4.250 9.034 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.728 6.118 -6.103 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.326 7.115 -5.771 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.282 9.241 -8.101 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.007 6.733 -10.648 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.419 8.836 -10.523 1.00 0.00 H new ATOM 1218 N THR A 76 2.860 9.471 -4.000 1.00 0.00 N ATOM 1219 CA THR A 76 2.230 9.814 -2.728 1.00 0.00 C ATOM 1220 C THR A 76 0.714 9.765 -2.832 1.00 0.00 C ATOM 1221 O THR A 76 0.152 9.938 -3.920 1.00 0.00 O ATOM 1222 CB THR A 76 2.660 11.215 -2.247 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.199 12.207 -3.163 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.164 11.299 -2.151 1.00 0.00 C ATOM 0 H THR A 76 2.660 10.116 -4.764 1.00 0.00 H new ATOM 0 HA THR A 76 2.562 9.072 -2.002 1.00 0.00 H new ATOM 0 HB THR A 76 2.224 11.389 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.968 12.656 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.452 12.294 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.526 10.554 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.602 11.110 -3.131 1.00 0.00 H new ATOM 1232 N PRO A 77 0.023 9.526 -1.698 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.435 9.470 -1.662 1.00 0.00 C ATOM 1234 C PRO A 77 -2.057 10.770 -2.145 1.00 0.00 C ATOM 1235 O PRO A 77 -3.036 10.770 -2.879 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.760 9.259 -0.176 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.519 8.704 0.422 1.00 0.00 C ATOM 1238 CD PRO A 77 0.619 9.277 -0.370 1.00 0.00 C ATOM 0 HA PRO A 77 -1.827 8.686 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.041 10.197 0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.598 8.573 -0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.438 8.977 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.517 7.615 0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.998 10.195 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.457 8.582 -0.430 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.469 11.886 -1.747 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.992 13.196 -2.109 1.00 0.00 C ATOM 1248 C LYS A 78 -1.826 13.461 -3.606 1.00 0.00 C ATOM 1249 O LYS A 78 -2.675 14.087 -4.237 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.295 14.295 -1.309 1.00 0.00 C ATOM 1251 CG LYS A 78 0.190 14.373 -1.577 1.00 0.00 C ATOM 1252 CD LYS A 78 0.731 15.754 -1.307 1.00 0.00 C ATOM 1253 CE LYS A 78 1.904 16.055 -2.220 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.367 17.452 -2.081 1.00 0.00 N ATOM 0 H LYS A 78 -0.627 11.912 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.056 13.204 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.752 15.255 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.457 14.120 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.712 13.649 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.388 14.100 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.054 16.494 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.044 15.831 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.725 15.376 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.616 15.869 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.170 17.617 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.591 18.101 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.667 17.622 -1.100 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.732 12.979 -4.181 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.473 13.189 -5.593 1.00 0.00 C ATOM 1270 C GLU A 79 -1.325 12.283 -6.445 1.00 0.00 C ATOM 1271 O GLU A 79 -1.714 12.643 -7.555 1.00 0.00 O ATOM 1272 CB GLU A 79 0.992 12.979 -5.920 1.00 0.00 C ATOM 1273 CG GLU A 79 1.889 14.147 -5.552 1.00 0.00 C ATOM 1274 CD GLU A 79 1.479 15.428 -6.233 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.757 15.578 -7.435 1.00 0.00 O ATOM 1276 OE2 GLU A 79 0.879 16.297 -5.569 1.00 0.00 O ATOM 0 H GLU A 79 -0.015 12.443 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.734 14.223 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.344 12.088 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.089 12.784 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.868 14.291 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.918 13.909 -5.822 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.614 11.091 -5.945 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.448 10.165 -6.690 1.00 0.00 C ATOM 1285 C LEU A 80 -3.924 10.480 -6.464 1.00 0.00 C ATOM 1286 O LEU A 80 -4.806 9.847 -7.031 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.140 8.705 -6.325 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.663 8.272 -6.425 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.551 6.780 -6.649 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.065 9.022 -7.518 1.00 0.00 C ATOM 0 H LEU A 80 -1.289 10.747 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.221 10.290 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.480 8.529 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.731 8.058 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.189 8.519 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.500 6.500 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.015 6.251 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.058 6.512 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.102 8.690 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.416 8.826 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.034 10.091 -7.308 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.181 11.464 -5.617 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.541 11.891 -5.356 1.00 0.00 C ATOM 1304 C GLY A 81 -6.292 10.924 -4.474 1.00 0.00 C ATOM 1305 O GLY A 81 -7.444 10.579 -4.745 1.00 0.00 O ATOM 0 H GLY A 81 -3.467 11.979 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.525 12.873 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.071 12.002 -6.302 1.00 0.00 H new ATOM 1309 N MET A 82 -5.647 10.467 -3.422 1.00 0.00 N ATOM 1310 CA MET A 82 -6.257 9.554 -2.477 1.00 0.00 C ATOM 1311 C MET A 82 -6.688 10.313 -1.235 1.00 0.00 C ATOM 1312 O MET A 82 -6.231 11.431 -0.987 1.00 0.00 O ATOM 1313 CB MET A 82 -5.257 8.471 -2.079 1.00 0.00 C ATOM 1314 CG MET A 82 -4.772 7.610 -3.226 1.00 0.00 C ATOM 1315 SD MET A 82 -3.424 6.518 -2.734 1.00 0.00 S ATOM 1316 CE MET A 82 -3.065 5.707 -4.283 1.00 0.00 C ATOM 0 H MET A 82 -4.684 10.718 -3.197 1.00 0.00 H new ATOM 0 HA MET A 82 -7.126 9.092 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.396 8.945 -1.608 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.717 7.828 -1.328 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.601 7.013 -3.606 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.439 8.250 -4.043 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.032 5.360 -4.281 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.734 4.856 -4.412 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.210 6.409 -5.104 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.562 9.720 -0.462 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.035 10.318 0.772 1.00 0.00 C ATOM 1328 C GLU A 83 -8.153 9.247 1.842 1.00 0.00 C ATOM 1329 O GLU A 83 -7.740 8.106 1.629 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.386 10.983 0.542 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.432 10.043 -0.026 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.763 10.712 -0.214 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -11.915 11.469 -1.193 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.663 10.493 0.621 1.00 0.00 O ATOM 0 H GLU A 83 -7.970 8.807 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.325 11.076 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.748 11.389 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.257 11.825 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.085 9.655 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.549 9.189 0.641 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.711 9.586 2.995 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.857 8.601 4.039 1.00 0.00 C ATOM 1343 C GLU A 84 -9.954 7.618 3.701 1.00 0.00 C ATOM 1344 O GLU A 84 -11.012 7.988 3.189 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.079 9.230 5.415 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.401 9.943 5.596 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.620 10.332 7.036 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.137 11.403 7.446 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -11.250 9.547 7.777 1.00 0.00 O ATOM 0 H GLU A 84 -9.061 10.517 3.222 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.914 8.058 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.001 8.448 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.274 9.939 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.425 10.834 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.214 9.297 5.264 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.657 6.353 3.940 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.544 5.234 3.678 1.00 0.00 C ATOM 1358 C GLU A 85 -10.602 4.901 2.190 1.00 0.00 C ATOM 1359 O GLU A 85 -11.387 4.048 1.761 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.930 5.464 4.266 1.00 0.00 C ATOM 1361 CG GLU A 85 -11.962 5.409 5.782 1.00 0.00 C ATOM 1362 CD GLU A 85 -13.365 5.440 6.330 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -13.892 6.540 6.549 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -13.943 4.356 6.541 1.00 0.00 O ATOM 0 H GLU A 85 -8.761 6.067 4.335 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.127 4.363 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.298 6.436 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.613 4.714 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.463 4.501 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.399 6.251 6.185 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.777 5.590 1.388 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.685 5.307 -0.049 1.00 0.00 C ATOM 1373 C ASP A 86 -9.166 3.895 -0.277 1.00 0.00 C ATOM 1374 O ASP A 86 -8.596 3.271 0.628 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.770 6.307 -0.757 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.241 6.634 -2.161 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.408 5.708 -2.978 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.461 7.829 -2.451 1.00 0.00 O ATOM 0 H ASP A 86 -9.168 6.343 1.709 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.687 5.400 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.719 7.225 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.759 5.901 -0.802 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.337 3.392 -1.471 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.962 2.033 -1.771 1.00 0.00 C ATOM 1385 C VAL A 87 -8.043 1.956 -2.989 1.00 0.00 C ATOM 1386 O VAL A 87 -8.195 2.706 -3.959 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.219 1.156 -2.011 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.035 1.684 -3.184 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.835 -0.297 -2.227 1.00 0.00 C ATOM 0 H VAL A 87 -9.736 3.906 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.417 1.653 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.841 1.209 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.911 1.052 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.355 2.705 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.424 1.674 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.734 -0.890 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.183 -0.376 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.312 -0.670 -1.346 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.091 1.045 -2.933 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.166 0.821 -4.021 1.00 0.00 C ATOM 1401 C ILE A 88 -6.428 -0.561 -4.605 1.00 0.00 C ATOM 1402 O ILE A 88 -6.887 -1.466 -3.897 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.688 0.928 -3.549 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.488 2.192 -2.712 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.730 0.923 -4.731 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.537 1.948 -1.223 1.00 0.00 C ATOM 0 H ILE A 88 -6.939 0.438 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.322 1.590 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.469 0.056 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.526 2.637 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.256 2.918 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.705 0.999 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.849 -0.004 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.949 1.771 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.387 2.890 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.508 1.532 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.751 1.246 -0.943 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.132 -0.742 -5.871 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.425 -1.989 -6.539 1.00 0.00 C ATOM 1420 C GLU A 89 -5.153 -2.799 -6.752 1.00 0.00 C ATOM 1421 O GLU A 89 -4.100 -2.256 -7.102 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.099 -1.712 -7.877 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.552 -2.959 -8.595 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.708 -3.640 -7.911 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.869 -3.282 -8.204 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.466 -4.539 -7.094 1.00 0.00 O ATOM 0 H GLU A 89 -5.687 -0.039 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.099 -2.570 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.960 -1.064 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.406 -1.166 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.840 -2.701 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.717 -3.655 -8.666 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.231 -4.091 -6.507 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.103 -4.969 -6.698 1.00 0.00 C ATOM 1435 C VAL A 90 -4.498 -6.179 -7.520 1.00 0.00 C ATOM 1436 O VAL A 90 -5.537 -6.801 -7.289 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.524 -5.444 -5.348 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.319 -6.359 -5.554 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.155 -4.254 -4.484 1.00 0.00 C ATOM 0 H VAL A 90 -6.074 -4.556 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.340 -4.400 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.293 -6.021 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.934 -6.677 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.621 -7.234 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.541 -5.820 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.748 -4.605 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.408 -3.649 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.043 -3.651 -4.297 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.670 -6.516 -8.473 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.897 -7.660 -9.318 1.00 0.00 C ATOM 1451 C TYR A 91 -2.707 -8.589 -9.230 1.00 0.00 C ATOM 1452 O TYR A 91 -1.766 -8.327 -8.495 1.00 0.00 O ATOM 1453 CB TYR A 91 -4.110 -7.229 -10.760 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.383 -6.454 -10.998 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.594 -7.111 -11.165 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.373 -5.070 -11.080 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.759 -6.410 -11.401 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.531 -4.362 -11.321 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.721 -5.036 -11.480 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.882 -4.330 -11.723 1.00 0.00 O ATOM 0 H TYR A 91 -2.815 -6.003 -8.687 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.795 -8.177 -8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.263 -6.618 -11.073 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.115 -8.115 -11.394 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.625 -8.189 -11.109 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.442 -4.537 -10.953 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.694 -6.936 -11.523 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.505 -3.284 -11.385 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.683 -3.371 -11.747 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.740 -9.671 -9.959 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.648 -10.619 -9.960 1.00 0.00 C ATOM 1472 C GLN A 92 -0.840 -10.474 -11.252 1.00 0.00 C ATOM 1473 O GLN A 92 -1.359 -10.009 -12.269 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.206 -12.045 -9.853 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.223 -13.067 -9.308 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.065 -12.978 -7.798 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.779 -13.632 -7.052 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.130 -12.169 -7.339 1.00 0.00 N ATOM 0 H GLN A 92 -3.518 -9.924 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.997 -10.422 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.087 -12.030 -9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.536 -12.368 -10.841 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.560 -14.068 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.252 -12.920 -9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.449 -11.637 -7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.014 -12.075 -6.334 1.00 0.00 H new ATOM 1487 N GLU A 93 0.439 -10.818 -11.203 1.00 0.00 N ATOM 1488 CA GLU A 93 1.281 -10.819 -12.400 1.00 0.00 C ATOM 1489 C GLU A 93 2.237 -12.003 -12.373 1.00 0.00 C ATOM 1490 O GLU A 93 3.276 -12.006 -13.038 1.00 0.00 O ATOM 1491 CB GLU A 93 2.057 -9.505 -12.558 1.00 0.00 C ATOM 1492 CG GLU A 93 2.989 -9.173 -11.409 1.00 0.00 C ATOM 1493 CD GLU A 93 3.921 -8.029 -11.747 1.00 0.00 C ATOM 1494 OE1 GLU A 93 4.928 -8.267 -12.445 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.650 -6.893 -11.329 1.00 0.00 O ATOM 0 H GLU A 93 0.920 -11.101 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 93 0.623 -10.912 -13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.640 -9.552 -13.478 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.343 -8.690 -12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.401 -8.914 -10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.576 -10.055 -11.152 1.00 0.00 H new