USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 576 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 32 ASN : amide:sc= 0.377 K(o=0.82,f=-1.1) USER MOD Set 1.2: A 62 MET CE :methyl -173:sc=-0.00605 (180deg=0) USER MOD Set 1.3: A 68 CYS SG : rot 75:sc= 0.452 USER MOD Set 2.1: A 49 SER OG : rot 118:sc= -0.987 USER MOD Set 2.2: A 51 SER OG : rot 140:sc= 0.551 USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 43 MET CE :methyl -160:sc= -0.703 (180deg=-2.03) USER MOD Set 4.2: A 67 HIS : no HD1:sc= -0.225 X(o=-0.93,f=-1.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.833 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.125 (180deg=-0.562) USER MOD Single : A 39 ASN : amide:sc= -0.109 K(o=-0.11,f=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -43:sc= 0.0253 USER MOD Single : A 44 SER OG : rot -11:sc= 0.344! USER MOD Single : A 46 HIS : no HD1:sc= -0.912 K(o=-0.91,f=-3.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.99! C(o=-4!,f=-5.3!) USER MOD Single : A 66 SER OG : rot 70:sc= 0.313 USER MOD Single : A 74 GLN : amide:sc= -2.68! C(o=-2.7!,f=-3.1!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -5.22 K(o=-5.2,f=-8.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -173:sc= -0.679 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.569 -1.745 -11.519 1.00 0.00 N ATOM 312 CA ALA A 23 -4.616 -1.297 -10.609 1.00 0.00 C ATOM 313 C ALA A 23 -5.852 -0.841 -11.377 1.00 0.00 C ATOM 314 O ALA A 23 -5.752 -0.075 -12.336 1.00 0.00 O ATOM 315 CB ALA A 23 -4.099 -0.175 -9.721 1.00 0.00 C ATOM 0 HA ALA A 23 -4.902 -2.140 -9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.891 0.150 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.251 -0.534 -9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.784 0.664 -10.341 1.00 0.00 H new ATOM 321 N THR A 24 -7.018 -1.315 -10.949 1.00 0.00 N ATOM 322 CA THR A 24 -8.273 -0.957 -11.597 1.00 0.00 C ATOM 323 C THR A 24 -9.099 -0.024 -10.718 1.00 0.00 C ATOM 324 O THR A 24 -8.917 0.022 -9.502 1.00 0.00 O ATOM 325 CB THR A 24 -9.111 -2.206 -11.928 1.00 0.00 C ATOM 326 OG1 THR A 24 -8.341 -3.117 -12.721 1.00 0.00 O ATOM 327 CG2 THR A 24 -10.380 -1.825 -12.674 1.00 0.00 C ATOM 0 H THR A 24 -7.119 -1.948 -10.156 1.00 0.00 H new ATOM 0 HA THR A 24 -8.015 -0.445 -12.524 1.00 0.00 H new ATOM 0 HB THR A 24 -9.390 -2.687 -10.991 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.880 -3.909 -12.926 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.955 -2.724 -12.897 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.978 -1.155 -12.056 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.118 -1.322 -13.605 1.00 0.00 H new ATOM 335 N VAL A 25 -10.007 0.719 -11.343 1.00 0.00 N ATOM 336 CA VAL A 25 -10.863 1.650 -10.617 1.00 0.00 C ATOM 337 C VAL A 25 -12.323 1.215 -10.674 1.00 0.00 C ATOM 338 O VAL A 25 -12.826 0.830 -11.729 1.00 0.00 O ATOM 339 CB VAL A 25 -10.742 3.079 -11.180 1.00 0.00 C ATOM 340 CG1 VAL A 25 -10.899 3.071 -12.693 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.770 3.995 -10.534 1.00 0.00 C ATOM 0 H VAL A 25 -10.169 0.694 -12.350 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.527 1.646 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.749 3.462 -10.943 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.811 4.089 -13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.121 2.449 -13.136 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.878 2.669 -12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.670 5.000 -10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.772 3.618 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.606 4.024 -9.457 1.00 0.00 H new ATOM 351 N GLY A 26 -12.999 1.278 -9.531 1.00 0.00 N ATOM 352 CA GLY A 26 -14.396 0.887 -9.473 1.00 0.00 C ATOM 353 C GLY A 26 -14.577 -0.617 -9.483 1.00 0.00 C ATOM 354 O GLY A 26 -15.515 -1.132 -10.093 1.00 0.00 O ATOM 0 H GLY A 26 -12.605 1.593 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.848 1.298 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.927 1.320 -10.321 1.00 0.00 H new ATOM 358 N SER A 27 -13.678 -1.325 -8.807 1.00 0.00 N ATOM 359 CA SER A 27 -13.741 -2.781 -8.745 1.00 0.00 C ATOM 360 C SER A 27 -12.955 -3.308 -7.548 1.00 0.00 C ATOM 361 O SER A 27 -12.277 -2.549 -6.855 1.00 0.00 O ATOM 362 CB SER A 27 -13.194 -3.391 -10.037 1.00 0.00 C ATOM 363 OG SER A 27 -12.751 -4.720 -9.825 1.00 0.00 O ATOM 0 H SER A 27 -12.897 -0.914 -8.295 1.00 0.00 H new ATOM 0 HA SER A 27 -14.785 -3.071 -8.628 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.968 -3.380 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.368 -2.784 -10.409 1.00 0.00 H new ATOM 0 HG SER A 27 -12.408 -5.088 -10.666 1.00 0.00 H new ATOM 369 N ILE A 28 -13.052 -4.612 -7.312 1.00 0.00 N ATOM 370 CA ILE A 28 -12.350 -5.241 -6.200 1.00 0.00 C ATOM 371 C ILE A 28 -10.898 -5.534 -6.562 1.00 0.00 C ATOM 372 O ILE A 28 -10.596 -6.558 -7.176 1.00 0.00 O ATOM 373 CB ILE A 28 -13.036 -6.552 -5.772 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.446 -6.268 -5.249 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.205 -7.262 -4.713 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.271 -7.517 -5.030 1.00 0.00 C ATOM 0 H ILE A 28 -13.610 -5.253 -7.876 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.379 -4.537 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.116 -7.205 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.373 -5.721 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.963 -5.620 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.702 -8.187 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.219 -7.492 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.097 -6.616 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.258 -7.241 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.375 -8.054 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.775 -8.157 -4.300 1.00 0.00 H new ATOM 388 N CYS A 29 -10.004 -4.631 -6.176 1.00 0.00 N ATOM 389 CA CYS A 29 -8.582 -4.793 -6.459 1.00 0.00 C ATOM 390 C CYS A 29 -7.894 -5.581 -5.349 1.00 0.00 C ATOM 391 O CYS A 29 -7.970 -5.217 -4.176 1.00 0.00 O ATOM 392 CB CYS A 29 -7.914 -3.427 -6.620 1.00 0.00 C ATOM 393 SG CYS A 29 -6.498 -3.426 -7.744 1.00 0.00 S ATOM 0 H CYS A 29 -10.238 -3.779 -5.666 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.483 -5.350 -7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.653 -2.713 -6.984 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.587 -3.077 -5.641 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.002 -2.226 -7.816 1.00 0.00 H new ATOM 399 N ASP A 30 -7.224 -6.664 -5.728 1.00 0.00 N ATOM 400 CA ASP A 30 -6.522 -7.505 -4.766 1.00 0.00 C ATOM 401 C ASP A 30 -5.070 -7.063 -4.616 1.00 0.00 C ATOM 402 O ASP A 30 -4.333 -6.971 -5.598 1.00 0.00 O ATOM 403 CB ASP A 30 -6.581 -8.971 -5.199 1.00 0.00 C ATOM 404 CG ASP A 30 -6.489 -9.134 -6.703 1.00 0.00 C ATOM 405 OD1 ASP A 30 -7.395 -8.644 -7.410 1.00 0.00 O ATOM 406 OD2 ASP A 30 -5.511 -9.751 -7.174 1.00 0.00 O ATOM 0 H ASP A 30 -7.152 -6.980 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.016 -7.400 -3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.766 -9.520 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.512 -9.414 -4.845 1.00 0.00 H new ATOM 411 N LEU A 31 -4.664 -6.791 -3.380 1.00 0.00 N ATOM 412 CA LEU A 31 -3.299 -6.358 -3.101 1.00 0.00 C ATOM 413 C LEU A 31 -2.550 -7.409 -2.289 1.00 0.00 C ATOM 414 O LEU A 31 -2.672 -7.466 -1.066 1.00 0.00 O ATOM 415 CB LEU A 31 -3.310 -5.027 -2.348 1.00 0.00 C ATOM 416 CG LEU A 31 -1.952 -4.350 -2.162 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.460 -3.771 -3.480 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.037 -3.264 -1.100 1.00 0.00 C ATOM 0 H LEU A 31 -5.260 -6.863 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.784 -6.226 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.967 -4.338 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.749 -5.193 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.236 -5.101 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.492 -3.293 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.359 -4.571 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.176 -3.034 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.061 -2.794 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.767 -2.514 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.344 -3.705 -0.152 1.00 0.00 H new ATOM 430 N ASN A 32 -1.773 -8.238 -2.978 1.00 0.00 N ATOM 431 CA ASN A 32 -1.001 -9.287 -2.320 1.00 0.00 C ATOM 432 C ASN A 32 0.232 -8.707 -1.635 1.00 0.00 C ATOM 433 O ASN A 32 0.978 -7.928 -2.231 1.00 0.00 O ATOM 434 CB ASN A 32 -0.582 -10.353 -3.334 1.00 0.00 C ATOM 435 CG ASN A 32 -1.699 -11.332 -3.640 1.00 0.00 C ATOM 436 OD1 ASN A 32 -2.433 -11.752 -2.746 1.00 0.00 O ATOM 437 ND2 ASN A 32 -1.831 -11.701 -4.909 1.00 0.00 N ATOM 0 H ASN A 32 -1.661 -8.204 -3.991 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.633 -9.747 -1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.265 -9.868 -4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.280 -10.898 -2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.564 -12.358 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.199 -11.327 -5.617 1.00 0.00 H new ATOM 444 N LEU A 33 0.442 -9.091 -0.381 1.00 0.00 N ATOM 445 CA LEU A 33 1.586 -8.610 0.386 1.00 0.00 C ATOM 446 C LEU A 33 2.278 -9.760 1.111 1.00 0.00 C ATOM 447 O LEU A 33 1.633 -10.552 1.800 1.00 0.00 O ATOM 448 CB LEU A 33 1.139 -7.551 1.395 1.00 0.00 C ATOM 449 CG LEU A 33 0.285 -6.411 0.838 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.490 -5.731 1.955 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.156 -5.405 0.100 1.00 0.00 C ATOM 0 H LEU A 33 -0.165 -9.734 0.127 1.00 0.00 H new ATOM 0 HA LEU A 33 2.297 -8.164 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.576 -8.046 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.027 -7.120 1.857 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.431 -6.829 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.092 -4.923 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.142 -6.457 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.208 -5.325 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.532 -4.601 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.895 -4.991 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.666 -5.902 -0.726 1.00 0.00 H new ATOM 463 N LYS A 34 3.594 -9.846 0.953 1.00 0.00 N ATOM 464 CA LYS A 34 4.376 -10.896 1.594 1.00 0.00 C ATOM 465 C LYS A 34 4.568 -10.602 3.079 1.00 0.00 C ATOM 466 O LYS A 34 5.514 -9.916 3.467 1.00 0.00 O ATOM 467 CB LYS A 34 5.738 -11.037 0.911 1.00 0.00 C ATOM 468 CG LYS A 34 6.376 -12.402 1.102 1.00 0.00 C ATOM 469 CD LYS A 34 7.885 -12.340 0.937 1.00 0.00 C ATOM 470 CE LYS A 34 8.570 -11.914 2.226 1.00 0.00 C ATOM 471 NZ LYS A 34 8.376 -12.913 3.313 1.00 0.00 N ATOM 0 H LYS A 34 4.142 -9.200 0.385 1.00 0.00 H new ATOM 0 HA LYS A 34 3.829 -11.833 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.622 -10.846 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.411 -10.273 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.133 -12.783 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.959 -13.104 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.259 -13.317 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.136 -11.639 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.636 -11.778 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.176 -10.949 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.154 -12.835 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.471 -12.733 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.368 -13.870 2.907 1.00 0.00 H new ATOM 485 N ILE A 35 3.666 -11.124 3.902 1.00 0.00 N ATOM 486 CA ILE A 35 3.739 -10.919 5.344 1.00 0.00 C ATOM 487 C ILE A 35 3.988 -12.234 6.074 1.00 0.00 C ATOM 488 O ILE A 35 3.417 -13.274 5.745 1.00 0.00 O ATOM 489 CB ILE A 35 2.448 -10.279 5.887 1.00 0.00 C ATOM 490 CG1 ILE A 35 2.216 -8.914 5.237 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.520 -10.145 7.401 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.771 -8.467 5.268 1.00 0.00 C ATOM 0 H ILE A 35 2.876 -11.692 3.596 1.00 0.00 H new ATOM 0 HA ILE A 35 4.574 -10.242 5.525 1.00 0.00 H new ATOM 0 HB ILE A 35 1.607 -10.926 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.829 -8.170 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.554 -8.952 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.600 -9.691 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.643 -11.131 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.369 -9.516 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.682 -7.492 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.155 -9.191 4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.434 -8.396 6.302 1.00 0.00 H new ATOM 504 N PRO A 36 4.860 -12.189 7.092 1.00 0.00 N ATOM 505 CA PRO A 36 5.203 -13.368 7.893 1.00 0.00 C ATOM 506 C PRO A 36 4.047 -13.826 8.776 1.00 0.00 C ATOM 507 O PRO A 36 2.901 -13.432 8.565 1.00 0.00 O ATOM 508 CB PRO A 36 6.373 -12.884 8.754 1.00 0.00 C ATOM 509 CG PRO A 36 6.190 -11.409 8.847 1.00 0.00 C ATOM 510 CD PRO A 36 5.578 -10.984 7.540 1.00 0.00 C ATOM 0 HA PRO A 36 5.442 -14.229 7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.357 -13.348 9.740 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.331 -13.136 8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.542 -11.148 9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.143 -10.907 9.013 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.903 -10.138 7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.338 -10.678 6.821 1.00 0.00 H new ATOM 518 N GLU A 37 4.357 -14.660 9.763 1.00 0.00 N ATOM 519 CA GLU A 37 3.342 -15.171 10.677 1.00 0.00 C ATOM 520 C GLU A 37 2.463 -14.040 11.202 1.00 0.00 C ATOM 521 O GLU A 37 1.350 -14.273 11.675 1.00 0.00 O ATOM 522 CB GLU A 37 4.000 -15.906 11.847 1.00 0.00 C ATOM 523 CG GLU A 37 4.615 -17.240 11.459 1.00 0.00 C ATOM 524 CD GLU A 37 5.616 -17.740 12.483 1.00 0.00 C ATOM 525 OE1 GLU A 37 6.782 -17.292 12.441 1.00 0.00 O ATOM 526 OE2 GLU A 37 5.234 -18.578 13.326 1.00 0.00 O ATOM 0 H GLU A 37 5.302 -14.996 9.950 1.00 0.00 H new ATOM 0 HA GLU A 37 2.713 -15.870 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.774 -15.270 12.276 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.256 -16.071 12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.823 -17.980 11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.108 -17.141 10.492 1.00 0.00 H new ATOM 533 N ILE A 38 2.971 -12.815 11.116 1.00 0.00 N ATOM 534 CA ILE A 38 2.233 -11.648 11.582 1.00 0.00 C ATOM 535 C ILE A 38 0.740 -11.795 11.307 1.00 0.00 C ATOM 536 O ILE A 38 0.294 -11.675 10.167 1.00 0.00 O ATOM 537 CB ILE A 38 2.741 -10.357 10.913 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.133 -9.998 11.439 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.766 -9.215 11.157 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.870 -9.005 10.568 1.00 0.00 C ATOM 0 H ILE A 38 3.891 -12.605 10.728 1.00 0.00 H new ATOM 0 HA ILE A 38 2.397 -11.580 12.657 1.00 0.00 H new ATOM 0 HB ILE A 38 2.811 -10.525 9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.038 -9.587 12.444 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.727 -10.908 11.522 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.139 -8.310 10.678 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.793 -9.472 10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.667 -9.044 12.229 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.848 -8.797 11.001 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.997 -9.421 9.569 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.297 -8.080 10.506 1.00 0.00 H new ATOM 552 N ASN A 39 -0.027 -12.056 12.361 1.00 0.00 N ATOM 553 CA ASN A 39 -1.470 -12.219 12.234 1.00 0.00 C ATOM 554 C ASN A 39 -2.124 -10.924 11.760 1.00 0.00 C ATOM 555 O ASN A 39 -1.569 -9.839 11.927 1.00 0.00 O ATOM 556 CB ASN A 39 -2.076 -12.650 13.571 1.00 0.00 C ATOM 557 CG ASN A 39 -2.091 -14.157 13.740 1.00 0.00 C ATOM 558 OD1 ASN A 39 -2.350 -14.896 12.791 1.00 0.00 O ATOM 559 ND2 ASN A 39 -1.812 -14.618 14.954 1.00 0.00 N ATOM 0 H ASN A 39 0.327 -12.159 13.312 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.659 -12.994 11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.508 -12.201 14.386 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.094 -12.269 13.645 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.807 -15.623 15.129 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.603 -13.967 15.711 1.00 0.00 H new ATOM 566 N SER A 40 -3.308 -11.047 11.169 1.00 0.00 N ATOM 567 CA SER A 40 -4.037 -9.888 10.668 1.00 0.00 C ATOM 568 C SER A 40 -4.722 -9.142 11.809 1.00 0.00 C ATOM 569 O SER A 40 -4.917 -7.929 11.744 1.00 0.00 O ATOM 570 CB SER A 40 -5.076 -10.321 9.631 1.00 0.00 C ATOM 571 OG SER A 40 -6.133 -11.042 10.239 1.00 0.00 O ATOM 0 H SER A 40 -3.783 -11.938 11.025 1.00 0.00 H new ATOM 0 HA SER A 40 -3.321 -9.216 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.475 -9.443 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.600 -10.940 8.871 1.00 0.00 H new ATOM 0 HG SER A 40 -6.784 -11.306 9.556 1.00 0.00 H new ATOM 577 N SER A 41 -5.084 -9.878 12.855 1.00 0.00 N ATOM 578 CA SER A 41 -5.751 -9.288 14.011 1.00 0.00 C ATOM 579 C SER A 41 -4.884 -8.203 14.642 1.00 0.00 C ATOM 580 O SER A 41 -5.351 -7.427 15.476 1.00 0.00 O ATOM 581 CB SER A 41 -6.072 -10.367 15.047 1.00 0.00 C ATOM 582 OG SER A 41 -7.055 -9.918 15.962 1.00 0.00 O ATOM 0 H SER A 41 -4.927 -10.883 12.926 1.00 0.00 H new ATOM 0 HA SER A 41 -6.681 -8.834 13.670 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.424 -11.267 14.543 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.165 -10.639 15.587 1.00 0.00 H new ATOM 0 HG SER A 41 -6.858 -8.995 16.227 1.00 0.00 H new ATOM 588 N ASP A 42 -3.620 -8.154 14.238 1.00 0.00 N ATOM 589 CA ASP A 42 -2.687 -7.164 14.762 1.00 0.00 C ATOM 590 C ASP A 42 -2.293 -6.162 13.681 1.00 0.00 C ATOM 591 O ASP A 42 -1.568 -5.203 13.944 1.00 0.00 O ATOM 592 CB ASP A 42 -1.438 -7.851 15.316 1.00 0.00 C ATOM 593 CG ASP A 42 -1.747 -9.197 15.942 1.00 0.00 C ATOM 594 OD1 ASP A 42 -1.910 -10.179 15.187 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.828 -9.269 17.186 1.00 0.00 O ATOM 0 H ASP A 42 -3.217 -8.789 13.549 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.184 -6.625 15.569 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.714 -7.985 14.512 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.972 -7.206 16.061 1.00 0.00 H new ATOM 600 N MET A 43 -2.777 -6.391 12.465 1.00 0.00 N ATOM 601 CA MET A 43 -2.476 -5.508 11.344 1.00 0.00 C ATOM 602 C MET A 43 -3.664 -4.605 11.029 1.00 0.00 C ATOM 603 O MET A 43 -4.767 -4.818 11.531 1.00 0.00 O ATOM 604 CB MET A 43 -2.101 -6.327 10.107 1.00 0.00 C ATOM 605 CG MET A 43 -0.719 -6.956 10.191 1.00 0.00 C ATOM 606 SD MET A 43 -0.168 -7.633 8.613 1.00 0.00 S ATOM 607 CE MET A 43 -1.085 -9.170 8.564 1.00 0.00 C ATOM 0 H MET A 43 -3.379 -7.180 12.231 1.00 0.00 H new ATOM 0 HA MET A 43 -1.630 -4.881 11.625 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.841 -7.114 9.964 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.146 -5.684 9.228 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.003 -6.207 10.531 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.730 -7.749 10.939 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.610 -9.855 7.861 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.096 -9.619 9.557 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.108 -8.973 8.244 1.00 0.00 H new ATOM 617 N SER A 44 -3.431 -3.597 10.195 1.00 0.00 N ATOM 618 CA SER A 44 -4.481 -2.659 9.817 1.00 0.00 C ATOM 619 C SER A 44 -4.242 -2.112 8.413 1.00 0.00 C ATOM 620 O SER A 44 -3.166 -1.596 8.111 1.00 0.00 O ATOM 621 CB SER A 44 -4.550 -1.506 10.820 1.00 0.00 C ATOM 622 OG SER A 44 -3.613 -0.493 10.498 1.00 0.00 O ATOM 0 H SER A 44 -2.524 -3.409 9.768 1.00 0.00 H new ATOM 0 HA SER A 44 -5.431 -3.194 9.823 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.556 -1.086 10.828 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.354 -1.881 11.824 1.00 0.00 H new ATOM 0 HG SER A 44 -2.999 -0.823 9.809 1.00 0.00 H new ATOM 628 N ALA A 45 -5.253 -2.230 7.558 1.00 0.00 N ATOM 629 CA ALA A 45 -5.154 -1.747 6.187 1.00 0.00 C ATOM 630 C ALA A 45 -6.226 -0.702 5.895 1.00 0.00 C ATOM 631 O ALA A 45 -7.417 -0.951 6.081 1.00 0.00 O ATOM 632 CB ALA A 45 -5.266 -2.907 5.209 1.00 0.00 C ATOM 0 H ALA A 45 -6.150 -2.656 7.791 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.179 -1.275 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.190 -2.531 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.461 -3.618 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.227 -3.404 5.342 1.00 0.00 H new ATOM 638 N HIS A 46 -5.794 0.469 5.437 1.00 0.00 N ATOM 639 CA HIS A 46 -6.717 1.553 5.119 1.00 0.00 C ATOM 640 C HIS A 46 -6.309 2.253 3.826 1.00 0.00 C ATOM 641 O HIS A 46 -5.121 2.410 3.542 1.00 0.00 O ATOM 642 CB HIS A 46 -6.765 2.563 6.266 1.00 0.00 C ATOM 643 CG HIS A 46 -7.367 2.014 7.523 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.656 1.255 8.428 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.620 2.119 8.023 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.447 0.915 9.431 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.644 1.427 9.210 1.00 0.00 N ATOM 0 H HIS A 46 -4.811 0.691 5.278 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.709 1.123 4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.753 2.908 6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.338 3.434 5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.447 2.648 7.573 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.163 0.320 10.286 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.454 1.325 9.821 1.00 0.00 H new ATOM 655 N VAL A 47 -7.301 2.670 3.046 1.00 0.00 N ATOM 656 CA VAL A 47 -7.045 3.354 1.784 1.00 0.00 C ATOM 657 C VAL A 47 -7.305 4.851 1.907 1.00 0.00 C ATOM 658 O VAL A 47 -8.443 5.282 2.097 1.00 0.00 O ATOM 659 CB VAL A 47 -7.918 2.783 0.650 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.776 3.626 -0.608 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.552 1.333 0.375 1.00 0.00 C ATOM 0 H VAL A 47 -8.289 2.546 3.266 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.995 3.190 1.542 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.961 2.816 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.399 3.208 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.092 4.648 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.735 3.627 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.178 0.946 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.504 1.272 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.710 0.741 1.276 1.00 0.00 H new ATOM 671 N THR A 48 -6.242 5.642 1.796 1.00 0.00 N ATOM 672 CA THR A 48 -6.355 7.091 1.895 1.00 0.00 C ATOM 673 C THR A 48 -6.712 7.709 0.548 1.00 0.00 C ATOM 674 O THR A 48 -6.426 7.136 -0.503 1.00 0.00 O ATOM 675 CB THR A 48 -5.046 7.723 2.405 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.720 7.199 3.697 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.170 9.237 2.483 1.00 0.00 C ATOM 0 H THR A 48 -5.293 5.303 1.637 1.00 0.00 H new ATOM 0 HA THR A 48 -7.152 7.297 2.609 1.00 0.00 H new ATOM 0 HB THR A 48 -4.251 7.475 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.886 7.604 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.233 9.661 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.389 9.636 1.492 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.977 9.501 3.167 1.00 0.00 H new ATOM 685 N SER A 49 -7.339 8.880 0.587 1.00 0.00 N ATOM 686 CA SER A 49 -7.738 9.574 -0.632 1.00 0.00 C ATOM 687 C SER A 49 -6.844 10.784 -0.886 1.00 0.00 C ATOM 688 O SER A 49 -6.289 11.383 0.036 1.00 0.00 O ATOM 689 CB SER A 49 -9.200 10.016 -0.536 1.00 0.00 C ATOM 690 OG SER A 49 -9.328 11.185 0.255 1.00 0.00 O ATOM 0 H SER A 49 -7.582 9.368 1.449 1.00 0.00 H new ATOM 0 HA SER A 49 -7.629 8.882 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.593 10.204 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.798 9.214 -0.104 1.00 0.00 H new ATOM 0 HG SER A 49 -9.693 11.912 -0.292 1.00 0.00 H new ATOM 696 N PRO A 50 -6.701 11.155 -2.167 1.00 0.00 N ATOM 697 CA PRO A 50 -5.877 12.296 -2.574 1.00 0.00 C ATOM 698 C PRO A 50 -6.486 13.630 -2.154 1.00 0.00 C ATOM 699 O PRO A 50 -5.937 14.693 -2.444 1.00 0.00 O ATOM 700 CB PRO A 50 -5.840 12.182 -4.100 1.00 0.00 C ATOM 701 CG PRO A 50 -7.082 11.439 -4.454 1.00 0.00 C ATOM 702 CD PRO A 50 -7.334 10.487 -3.317 1.00 0.00 C ATOM 0 HA PRO A 50 -4.892 12.274 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.819 13.165 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.950 11.649 -4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.921 12.122 -4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.960 10.901 -5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.400 10.329 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.893 9.509 -3.507 1.00 0.00 H new ATOM 710 N SER A 51 -7.623 13.566 -1.469 1.00 0.00 N ATOM 711 CA SER A 51 -8.309 14.770 -1.013 1.00 0.00 C ATOM 712 C SER A 51 -8.253 14.882 0.508 1.00 0.00 C ATOM 713 O SER A 51 -8.496 15.949 1.072 1.00 0.00 O ATOM 714 CB SER A 51 -9.765 14.762 -1.482 1.00 0.00 C ATOM 715 OG SER A 51 -10.411 13.554 -1.120 1.00 0.00 O ATOM 0 H SER A 51 -8.089 12.694 -1.217 1.00 0.00 H new ATOM 0 HA SER A 51 -7.802 15.633 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.296 15.607 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.802 14.888 -2.564 1.00 0.00 H new ATOM 0 HG SER A 51 -11.324 13.748 -0.822 1.00 0.00 H new ATOM 721 N GLY A 52 -7.932 13.773 1.166 1.00 0.00 N ATOM 722 CA GLY A 52 -7.851 13.767 2.615 1.00 0.00 C ATOM 723 C GLY A 52 -8.706 12.682 3.240 1.00 0.00 C ATOM 724 O GLY A 52 -8.403 12.194 4.328 1.00 0.00 O ATOM 0 H GLY A 52 -7.726 12.878 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.813 13.626 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.165 14.738 2.997 1.00 0.00 H new ATOM 728 N ARG A 53 -9.778 12.306 2.550 1.00 0.00 N ATOM 729 CA ARG A 53 -10.681 11.274 3.045 1.00 0.00 C ATOM 730 C ARG A 53 -9.955 9.940 3.191 1.00 0.00 C ATOM 731 O ARG A 53 -9.046 9.629 2.421 1.00 0.00 O ATOM 732 CB ARG A 53 -11.876 11.117 2.103 1.00 0.00 C ATOM 733 CG ARG A 53 -13.046 12.023 2.447 1.00 0.00 C ATOM 734 CD ARG A 53 -14.176 11.879 1.439 1.00 0.00 C ATOM 735 NE ARG A 53 -13.769 12.287 0.097 1.00 0.00 N ATOM 736 CZ ARG A 53 -13.155 11.481 -0.761 1.00 0.00 C ATOM 737 NH1 ARG A 53 -12.879 10.230 -0.420 1.00 0.00 N ATOM 738 NH2 ARG A 53 -12.815 11.926 -1.964 1.00 0.00 N ATOM 0 H ARG A 53 -10.042 12.700 1.647 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.040 11.581 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.554 11.326 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.212 10.080 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.414 11.782 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.710 13.060 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.511 10.842 1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.026 12.482 1.759 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.967 13.243 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.138 9.884 0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.407 9.613 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.025 12.888 -2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.343 11.306 -2.623 1.00 0.00 H new ATOM 752 N VAL A 54 -10.362 9.156 4.184 1.00 0.00 N ATOM 753 CA VAL A 54 -9.751 7.855 4.431 1.00 0.00 C ATOM 754 C VAL A 54 -10.803 6.751 4.464 1.00 0.00 C ATOM 755 O VAL A 54 -11.898 6.938 4.995 1.00 0.00 O ATOM 756 CB VAL A 54 -8.970 7.844 5.758 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.343 6.479 5.998 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.909 8.935 5.759 1.00 0.00 C ATOM 0 H VAL A 54 -11.112 9.399 4.831 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.059 7.670 3.609 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.667 8.045 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.795 6.491 6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.126 5.722 6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.658 6.245 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.366 8.914 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.213 8.767 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.387 9.907 5.637 1.00 0.00 H new ATOM 768 N THR A 55 -10.463 5.600 3.894 1.00 0.00 N ATOM 769 CA THR A 55 -11.377 4.465 3.858 1.00 0.00 C ATOM 770 C THR A 55 -10.819 3.284 4.643 1.00 0.00 C ATOM 771 O THR A 55 -9.693 3.332 5.137 1.00 0.00 O ATOM 772 CB THR A 55 -11.660 4.018 2.411 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.589 5.143 1.528 1.00 0.00 O ATOM 774 CG2 THR A 55 -13.032 3.369 2.304 1.00 0.00 C ATOM 0 H THR A 55 -9.561 5.429 3.450 1.00 0.00 H new ATOM 0 HA THR A 55 -12.309 4.795 4.318 1.00 0.00 H new ATOM 0 HB THR A 55 -10.905 3.285 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.768 4.850 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.210 3.062 1.273 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.073 2.496 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.797 4.084 2.606 1.00 0.00 H new ATOM 782 N GLU A 56 -11.613 2.223 4.752 1.00 0.00 N ATOM 783 CA GLU A 56 -11.196 1.029 5.478 1.00 0.00 C ATOM 784 C GLU A 56 -11.066 -0.163 4.534 1.00 0.00 C ATOM 785 O GLU A 56 -11.732 -0.226 3.501 1.00 0.00 O ATOM 786 CB GLU A 56 -12.196 0.706 6.590 1.00 0.00 C ATOM 787 CG GLU A 56 -11.989 -0.662 7.216 1.00 0.00 C ATOM 788 CD GLU A 56 -10.714 -0.744 8.033 1.00 0.00 C ATOM 789 OE1 GLU A 56 -10.671 -0.142 9.126 1.00 0.00 O ATOM 790 OE2 GLU A 56 -9.759 -1.408 7.579 1.00 0.00 O ATOM 0 H GLU A 56 -12.548 2.166 4.347 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.221 1.227 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.121 1.467 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.207 0.762 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.841 -0.898 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.961 -1.417 6.430 1.00 0.00 H new ATOM 797 N ALA A 57 -10.202 -1.106 4.897 1.00 0.00 N ATOM 798 CA ALA A 57 -9.985 -2.296 4.085 1.00 0.00 C ATOM 799 C ALA A 57 -10.042 -3.560 4.937 1.00 0.00 C ATOM 800 O ALA A 57 -9.909 -3.502 6.159 1.00 0.00 O ATOM 801 CB ALA A 57 -8.650 -2.205 3.361 1.00 0.00 C ATOM 0 H ALA A 57 -9.641 -1.068 5.748 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.784 -2.351 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.501 -3.101 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.646 -1.328 2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.845 -2.121 4.091 1.00 0.00 H new ATOM 807 N GLU A 58 -10.242 -4.700 4.283 1.00 0.00 N ATOM 808 CA GLU A 58 -10.318 -5.978 4.983 1.00 0.00 C ATOM 809 C GLU A 58 -9.234 -6.933 4.490 1.00 0.00 C ATOM 810 O GLU A 58 -8.837 -6.890 3.325 1.00 0.00 O ATOM 811 CB GLU A 58 -11.697 -6.610 4.788 1.00 0.00 C ATOM 812 CG GLU A 58 -11.927 -7.845 5.642 1.00 0.00 C ATOM 813 CD GLU A 58 -11.807 -7.559 7.126 1.00 0.00 C ATOM 814 OE1 GLU A 58 -10.664 -7.436 7.615 1.00 0.00 O ATOM 815 OE2 GLU A 58 -12.854 -7.459 7.798 1.00 0.00 O ATOM 0 H GLU A 58 -10.354 -4.765 3.271 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.159 -5.792 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.463 -5.870 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.820 -6.876 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.918 -8.248 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.206 -8.614 5.364 1.00 0.00 H new ATOM 822 N ILE A 59 -8.761 -7.793 5.385 1.00 0.00 N ATOM 823 CA ILE A 59 -7.725 -8.759 5.042 1.00 0.00 C ATOM 824 C ILE A 59 -8.271 -10.183 5.065 1.00 0.00 C ATOM 825 O ILE A 59 -9.014 -10.559 5.971 1.00 0.00 O ATOM 826 CB ILE A 59 -6.526 -8.665 6.004 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.006 -7.227 6.067 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.421 -9.615 5.568 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.063 -6.976 7.222 1.00 0.00 C ATOM 0 H ILE A 59 -9.079 -7.841 6.353 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.390 -8.517 4.033 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.856 -8.956 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.494 -6.993 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.853 -6.546 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.581 -9.537 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.798 -10.638 5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.091 -9.352 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.734 -5.937 7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.577 -7.178 8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.197 -7.632 7.134 1.00 0.00 H new ATOM 841 N VAL A 60 -7.895 -10.972 4.063 1.00 0.00 N ATOM 842 CA VAL A 60 -8.345 -12.356 3.970 1.00 0.00 C ATOM 843 C VAL A 60 -7.168 -13.322 4.053 1.00 0.00 C ATOM 844 O VAL A 60 -6.141 -13.146 3.399 1.00 0.00 O ATOM 845 CB VAL A 60 -9.112 -12.610 2.659 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.598 -14.049 2.595 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.276 -11.639 2.527 1.00 0.00 C ATOM 0 H VAL A 60 -7.280 -10.676 3.305 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.014 -12.529 4.813 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.433 -12.444 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.138 -14.210 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.743 -14.724 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.262 -14.247 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.807 -11.832 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.957 -11.771 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.898 -10.617 2.524 1.00 0.00 H new ATOM 857 N PRO A 61 -7.321 -14.370 4.877 1.00 0.00 N ATOM 858 CA PRO A 61 -6.281 -15.386 5.064 1.00 0.00 C ATOM 859 C PRO A 61 -6.095 -16.260 3.828 1.00 0.00 C ATOM 860 O PRO A 61 -6.852 -17.204 3.604 1.00 0.00 O ATOM 861 CB PRO A 61 -6.809 -16.221 6.234 1.00 0.00 C ATOM 862 CG PRO A 61 -8.287 -16.040 6.193 1.00 0.00 C ATOM 863 CD PRO A 61 -8.519 -14.643 5.687 1.00 0.00 C ATOM 0 HA PRO A 61 -5.303 -14.940 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.536 -17.271 6.126 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.395 -15.880 7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.752 -16.775 5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.724 -16.174 7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.430 -14.577 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.621 -13.931 6.506 1.00 0.00 H new ATOM 871 N MET A 62 -5.082 -15.939 3.030 1.00 0.00 N ATOM 872 CA MET A 62 -4.796 -16.697 1.817 1.00 0.00 C ATOM 873 C MET A 62 -4.029 -17.974 2.143 1.00 0.00 C ATOM 874 O MET A 62 -4.471 -19.075 1.817 1.00 0.00 O ATOM 875 CB MET A 62 -3.993 -15.842 0.834 1.00 0.00 C ATOM 876 CG MET A 62 -4.849 -14.882 0.024 1.00 0.00 C ATOM 877 SD MET A 62 -6.037 -15.732 -1.033 1.00 0.00 S ATOM 878 CE MET A 62 -6.853 -14.341 -1.812 1.00 0.00 C ATOM 0 H MET A 62 -4.446 -15.160 3.201 1.00 0.00 H new ATOM 0 HA MET A 62 -5.745 -16.972 1.357 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.246 -15.272 1.387 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.453 -16.498 0.152 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.383 -14.217 0.703 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.203 -14.257 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.698 -14.698 -2.401 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.210 -13.653 -1.046 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.149 -13.825 -2.464 1.00 0.00 H new ATOM 888 N GLY A 63 -2.876 -17.820 2.787 1.00 0.00 N ATOM 889 CA GLY A 63 -2.066 -18.969 3.145 1.00 0.00 C ATOM 890 C GLY A 63 -0.914 -18.605 4.060 1.00 0.00 C ATOM 891 O GLY A 63 -0.804 -17.464 4.509 1.00 0.00 O ATOM 0 H GLY A 63 -2.489 -16.919 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.694 -19.713 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.674 -19.430 2.238 1.00 0.00 H new ATOM 895 N LYS A 64 -0.052 -19.577 4.339 1.00 0.00 N ATOM 896 CA LYS A 64 1.098 -19.354 5.207 1.00 0.00 C ATOM 897 C LYS A 64 1.802 -18.047 4.854 1.00 0.00 C ATOM 898 O LYS A 64 2.153 -17.814 3.698 1.00 0.00 O ATOM 899 CB LYS A 64 2.081 -20.521 5.095 1.00 0.00 C ATOM 900 CG LYS A 64 2.878 -20.769 6.364 1.00 0.00 C ATOM 901 CD LYS A 64 3.554 -22.130 6.342 1.00 0.00 C ATOM 902 CE LYS A 64 2.646 -23.213 6.902 1.00 0.00 C ATOM 903 NZ LYS A 64 3.091 -24.575 6.495 1.00 0.00 N ATOM 0 H LYS A 64 -0.128 -20.527 3.976 1.00 0.00 H new ATOM 0 HA LYS A 64 0.738 -19.286 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.530 -21.426 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.772 -20.326 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.631 -19.990 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.217 -20.704 7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.834 -22.382 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.475 -22.089 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.629 -23.146 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.626 -23.046 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.446 -25.285 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.083 -24.647 5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.055 -24.745 6.846 1.00 0.00 H new ATOM 917 N ASN A 65 2.005 -17.200 5.857 1.00 0.00 N ATOM 918 CA ASN A 65 2.668 -15.917 5.651 1.00 0.00 C ATOM 919 C ASN A 65 2.130 -15.220 4.405 1.00 0.00 C ATOM 920 O ASN A 65 2.857 -14.501 3.720 1.00 0.00 O ATOM 921 CB ASN A 65 4.180 -16.115 5.525 1.00 0.00 C ATOM 922 CG ASN A 65 4.537 -17.275 4.617 1.00 0.00 C ATOM 923 OD1 ASN A 65 4.735 -18.400 5.076 1.00 0.00 O ATOM 924 ND2 ASN A 65 4.623 -17.005 3.319 1.00 0.00 N ATOM 0 H ASN A 65 1.720 -17.378 6.820 1.00 0.00 H new ATOM 0 HA ASN A 65 2.461 -15.287 6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.632 -15.202 5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.605 -16.287 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.861 -17.745 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.451 -16.058 2.983 1.00 0.00 H new ATOM 931 N SER A 66 0.850 -15.438 4.118 1.00 0.00 N ATOM 932 CA SER A 66 0.215 -14.834 2.953 1.00 0.00 C ATOM 933 C SER A 66 -1.076 -14.122 3.346 1.00 0.00 C ATOM 934 O SER A 66 -1.910 -14.675 4.064 1.00 0.00 O ATOM 935 CB SER A 66 -0.079 -15.900 1.896 1.00 0.00 C ATOM 936 OG SER A 66 1.114 -16.339 1.268 1.00 0.00 O ATOM 0 H SER A 66 0.233 -16.028 4.676 1.00 0.00 H new ATOM 0 HA SER A 66 0.903 -14.099 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.582 -16.748 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.760 -15.496 1.147 1.00 0.00 H new ATOM 0 HG SER A 66 1.643 -16.867 1.903 1.00 0.00 H new ATOM 942 N HIS A 67 -1.235 -12.891 2.870 1.00 0.00 N ATOM 943 CA HIS A 67 -2.424 -12.103 3.170 1.00 0.00 C ATOM 944 C HIS A 67 -2.878 -11.315 1.945 1.00 0.00 C ATOM 945 O HIS A 67 -2.056 -10.785 1.196 1.00 0.00 O ATOM 946 CB HIS A 67 -2.148 -11.147 4.332 1.00 0.00 C ATOM 947 CG HIS A 67 -2.162 -11.814 5.673 1.00 0.00 C ATOM 948 ND1 HIS A 67 -3.324 -12.147 6.336 1.00 0.00 N ATOM 949 CD2 HIS A 67 -1.146 -12.213 6.474 1.00 0.00 C ATOM 950 CE1 HIS A 67 -3.023 -12.719 7.488 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.708 -12.772 7.595 1.00 0.00 N ATOM 0 H HIS A 67 -0.555 -12.418 2.275 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.222 -12.789 3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.177 -10.675 4.180 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.894 -10.352 4.323 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.091 -12.111 6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.732 -13.082 8.218 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.193 -13.165 8.383 1.00 0.00 H new ATOM 959 N CYS A 68 -4.189 -11.243 1.746 1.00 0.00 N ATOM 960 CA CYS A 68 -4.752 -10.522 0.611 1.00 0.00 C ATOM 961 C CYS A 68 -5.693 -9.417 1.080 1.00 0.00 C ATOM 962 O CYS A 68 -6.459 -9.600 2.026 1.00 0.00 O ATOM 963 CB CYS A 68 -5.499 -11.485 -0.313 1.00 0.00 C ATOM 964 SG CYS A 68 -5.540 -10.966 -2.044 1.00 0.00 S ATOM 0 H CYS A 68 -4.882 -11.675 2.356 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.930 -10.065 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.031 -12.468 -0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.522 -11.596 0.046 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.378 -11.175 -2.587 1.00 0.00 H new ATOM 970 N VAL A 69 -5.628 -8.268 0.414 1.00 0.00 N ATOM 971 CA VAL A 69 -6.473 -7.133 0.764 1.00 0.00 C ATOM 972 C VAL A 69 -7.433 -6.793 -0.371 1.00 0.00 C ATOM 973 O VAL A 69 -7.011 -6.391 -1.455 1.00 0.00 O ATOM 974 CB VAL A 69 -5.630 -5.888 1.098 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.521 -4.752 1.578 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.574 -6.224 2.141 1.00 0.00 C ATOM 0 H VAL A 69 -4.999 -8.099 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.044 -7.423 1.646 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.122 -5.561 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.908 -3.881 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.236 -4.495 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.059 -5.065 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.988 -5.333 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.060 -6.577 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.917 -7.003 1.755 1.00 0.00 H new ATOM 986 N ARG A 70 -8.726 -6.956 -0.112 1.00 0.00 N ATOM 987 CA ARG A 70 -9.747 -6.667 -1.112 1.00 0.00 C ATOM 988 C ARG A 70 -10.465 -5.358 -0.794 1.00 0.00 C ATOM 989 O ARG A 70 -11.077 -5.215 0.265 1.00 0.00 O ATOM 990 CB ARG A 70 -10.760 -7.811 -1.184 1.00 0.00 C ATOM 991 CG ARG A 70 -10.138 -9.152 -1.539 1.00 0.00 C ATOM 992 CD ARG A 70 -11.188 -10.250 -1.614 1.00 0.00 C ATOM 993 NE ARG A 70 -10.812 -11.304 -2.553 1.00 0.00 N ATOM 994 CZ ARG A 70 -11.632 -12.277 -2.933 1.00 0.00 C ATOM 995 NH1 ARG A 70 -12.869 -12.330 -2.457 1.00 0.00 N ATOM 996 NH2 ARG A 70 -11.216 -13.200 -3.791 1.00 0.00 N ATOM 0 H ARG A 70 -9.091 -7.286 0.781 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.254 -6.566 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.267 -7.898 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.521 -7.565 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.623 -9.073 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.387 -9.415 -0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.333 -10.682 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.142 -9.819 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.868 -11.292 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.192 -11.622 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.497 -13.078 -2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.266 -13.163 -4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.847 -13.947 -4.082 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.385 -4.406 -1.717 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.025 -3.108 -1.534 1.00 0.00 C ATOM 1012 C PHE A 71 -11.273 -2.430 -2.879 1.00 0.00 C ATOM 1013 O PHE A 71 -10.757 -2.862 -3.909 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.160 -2.209 -0.649 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.825 -1.878 -1.254 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -7.831 -2.840 -1.338 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -8.564 -0.606 -1.737 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -6.601 -2.539 -1.894 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -7.337 -0.300 -2.294 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.354 -1.267 -2.372 1.00 0.00 C ATOM 0 H PHE A 71 -9.884 -4.508 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.986 -3.270 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.699 -1.283 -0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.003 -2.700 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.019 -3.836 -0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.328 0.155 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.835 -3.298 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.147 0.695 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.394 -1.029 -2.806 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.069 -1.365 -2.860 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.386 -0.627 -4.076 1.00 0.00 C ATOM 1032 C VAL A 72 -11.624 0.692 -4.132 1.00 0.00 C ATOM 1033 O VAL A 72 -12.076 1.722 -3.631 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.896 -0.339 -4.180 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.232 0.265 -5.535 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.697 -1.609 -3.939 1.00 0.00 C ATOM 0 H VAL A 72 -12.506 -0.995 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 72 -12.084 -1.254 -4.915 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.165 0.384 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.303 0.462 -5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.684 1.199 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.950 -0.432 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.762 -1.388 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.427 -2.357 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.478 -1.994 -2.943 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.438 0.664 -4.759 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.587 1.850 -4.897 1.00 0.00 C ATOM 1048 C PRO A 73 -10.178 2.879 -5.854 1.00 0.00 C ATOM 1049 O PRO A 73 -9.836 2.909 -7.036 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.280 1.285 -5.459 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.680 0.032 -6.160 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.837 -0.528 -5.380 1.00 0.00 C ATOM 0 HA PRO A 73 -9.467 2.378 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.807 1.988 -6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.562 1.082 -4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.967 0.237 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.853 -0.677 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.546 -1.044 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.506 -1.248 -4.631 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.067 3.720 -5.336 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.706 4.751 -6.147 1.00 0.00 C ATOM 1062 C GLN A 74 -11.396 6.141 -5.602 1.00 0.00 C ATOM 1063 O GLN A 74 -11.834 6.502 -4.510 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.219 4.532 -6.188 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.656 3.498 -7.213 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.158 3.291 -7.229 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.783 3.279 -8.290 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.746 3.127 -6.050 1.00 0.00 N ATOM 0 H GLN A 74 -11.361 3.708 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.308 4.680 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.559 4.219 -5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.709 5.480 -6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.326 3.811 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.164 2.549 -6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.189 3.144 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.755 2.984 -5.999 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.638 6.917 -6.371 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.269 8.268 -5.964 1.00 0.00 C ATOM 1079 C GLU A 75 -10.244 9.210 -7.164 1.00 0.00 C ATOM 1080 O GLU A 75 -10.516 8.802 -8.293 1.00 0.00 O ATOM 1081 CB GLU A 75 -8.901 8.262 -5.278 1.00 0.00 C ATOM 1082 CG GLU A 75 -8.764 7.198 -4.202 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.498 7.561 -2.925 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -10.366 8.458 -2.976 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -9.204 6.950 -1.877 1.00 0.00 O ATOM 0 H GLU A 75 -10.268 6.634 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.020 8.625 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.127 8.108 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.723 9.241 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.149 6.251 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.708 7.046 -3.979 1.00 0.00 H new ATOM 1092 N MET A 76 -9.917 10.473 -6.911 1.00 0.00 N ATOM 1093 CA MET A 76 -9.856 11.474 -7.970 1.00 0.00 C ATOM 1094 C MET A 76 -8.411 11.868 -8.263 1.00 0.00 C ATOM 1095 O MET A 76 -8.155 12.809 -9.012 1.00 0.00 O ATOM 1096 CB MET A 76 -10.665 12.712 -7.578 1.00 0.00 C ATOM 1097 CG MET A 76 -12.143 12.429 -7.364 1.00 0.00 C ATOM 1098 SD MET A 76 -13.172 13.890 -7.601 1.00 0.00 S ATOM 1099 CE MET A 76 -12.826 14.796 -6.095 1.00 0.00 C ATOM 0 H MET A 76 -9.690 10.828 -5.982 1.00 0.00 H new ATOM 0 HA MET A 76 -10.286 11.039 -8.872 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.248 13.134 -6.664 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.557 13.468 -8.356 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.463 11.648 -8.054 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.293 12.044 -6.355 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.391 15.728 -6.093 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.116 14.194 -5.234 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.760 15.018 -6.041 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.471 11.141 -7.666 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.065 11.431 -7.876 1.00 0.00 C ATOM 1111 C GLY A 77 -5.192 10.200 -7.734 1.00 0.00 C ATOM 1112 O GLY A 77 -5.257 9.285 -8.555 1.00 0.00 O ATOM 0 H GLY A 77 -7.658 10.357 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.929 11.856 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.742 12.186 -7.160 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.370 10.176 -6.689 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.479 9.048 -6.443 1.00 0.00 C ATOM 1118 C VAL A 78 -3.929 8.249 -5.225 1.00 0.00 C ATOM 1119 O VAL A 78 -4.367 8.816 -4.224 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.028 9.516 -6.228 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.952 10.514 -5.082 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.117 8.325 -5.970 1.00 0.00 C ATOM 0 H VAL A 78 -4.303 10.925 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.521 8.412 -7.327 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.688 10.015 -7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.919 10.833 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.572 11.380 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.311 10.044 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.095 8.674 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.454 7.796 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.148 7.651 -6.826 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.818 6.927 -5.318 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.212 6.048 -4.223 1.00 0.00 C ATOM 1134 C HIS A 79 -3.021 5.733 -3.323 1.00 0.00 C ATOM 1135 O HIS A 79 -1.947 5.365 -3.802 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.809 4.752 -4.771 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.088 4.953 -5.525 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.220 5.861 -6.554 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.296 4.356 -5.394 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.454 5.815 -7.023 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.127 4.910 -6.337 1.00 0.00 N ATOM 0 H HIS A 79 -3.459 6.442 -6.140 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.967 6.564 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.081 4.275 -5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.989 4.066 -3.943 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.480 6.473 -6.899 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.557 3.588 -4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.846 6.416 -7.830 1.00 0.00 H new ATOM 1149 N THR A 80 -3.217 5.879 -2.017 1.00 0.00 N ATOM 1150 CA THR A 80 -2.159 5.612 -1.050 1.00 0.00 C ATOM 1151 C THR A 80 -2.645 4.681 0.054 1.00 0.00 C ATOM 1152 O THR A 80 -3.460 5.068 0.892 1.00 0.00 O ATOM 1153 CB THR A 80 -1.636 6.914 -0.415 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.625 7.964 -1.389 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.234 6.719 0.143 1.00 0.00 C ATOM 0 H THR A 80 -4.099 6.181 -1.604 1.00 0.00 H new ATOM 0 HA THR A 80 -1.347 5.131 -1.595 1.00 0.00 H new ATOM 0 HB THR A 80 -2.302 7.185 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.293 8.789 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.114 7.652 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.251 5.939 0.905 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.440 6.426 -0.662 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.140 3.452 0.051 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.522 2.465 1.055 1.00 0.00 C ATOM 1165 C VAL A 81 -1.621 2.553 2.282 1.00 0.00 C ATOM 1166 O VAL A 81 -0.401 2.422 2.179 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.461 1.035 0.487 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.899 0.025 1.537 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.318 0.922 -0.764 1.00 0.00 C ATOM 0 H VAL A 81 -1.465 3.115 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.549 2.689 1.345 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.429 0.815 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.850 -0.980 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.239 0.090 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.922 0.240 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.263 -0.095 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.353 1.162 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.953 1.618 -1.519 1.00 0.00 H new ATOM 1179 N SER A 82 -2.230 2.773 3.442 1.00 0.00 N ATOM 1180 CA SER A 82 -1.483 2.881 4.690 1.00 0.00 C ATOM 1181 C SER A 82 -1.616 1.605 5.515 1.00 0.00 C ATOM 1182 O SER A 82 -2.656 1.350 6.123 1.00 0.00 O ATOM 1183 CB SER A 82 -1.976 4.080 5.502 1.00 0.00 C ATOM 1184 OG SER A 82 -1.740 5.295 4.812 1.00 0.00 O ATOM 0 H SER A 82 -3.239 2.880 3.544 1.00 0.00 H new ATOM 0 HA SER A 82 -0.431 3.026 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.042 3.973 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.470 4.102 6.467 1.00 0.00 H new ATOM 0 HG SER A 82 -2.066 6.046 5.351 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.554 0.805 5.530 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.550 -0.445 6.281 1.00 0.00 C ATOM 1192 C VAL A 83 0.413 -0.375 7.460 1.00 0.00 C ATOM 1193 O VAL A 83 1.628 -0.292 7.281 1.00 0.00 O ATOM 1194 CB VAL A 83 -0.161 -1.636 5.385 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.248 -2.940 6.163 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -1.047 -1.684 4.149 1.00 0.00 C ATOM 0 H VAL A 83 0.314 1.000 5.031 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.564 -0.594 6.652 1.00 0.00 H new ATOM 0 HB VAL A 83 0.871 -1.502 5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.030 -3.770 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.431 -2.902 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.268 -3.084 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.758 -2.531 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.088 -1.794 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.930 -0.761 3.581 1.00 0.00 H new ATOM 1206 N LYS A 84 -0.138 -0.409 8.669 1.00 0.00 N ATOM 1207 CA LYS A 84 0.671 -0.351 9.881 1.00 0.00 C ATOM 1208 C LYS A 84 0.539 -1.640 10.686 1.00 0.00 C ATOM 1209 O LYS A 84 -0.544 -2.219 10.775 1.00 0.00 O ATOM 1210 CB LYS A 84 0.255 0.845 10.740 1.00 0.00 C ATOM 1211 CG LYS A 84 0.421 2.183 10.042 1.00 0.00 C ATOM 1212 CD LYS A 84 0.261 3.342 11.012 1.00 0.00 C ATOM 1213 CE LYS A 84 0.036 4.655 10.279 1.00 0.00 C ATOM 1214 NZ LYS A 84 -0.773 5.610 11.087 1.00 0.00 N ATOM 0 H LYS A 84 -1.142 -0.476 8.835 1.00 0.00 H new ATOM 0 HA LYS A 84 1.714 -0.233 9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.788 0.725 11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.846 0.847 11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.405 2.231 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.315 2.272 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.580 3.147 11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.151 3.421 11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.999 5.107 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.469 4.461 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.904 6.493 10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.701 5.190 11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.279 5.815 11.979 1.00 0.00 H new ATOM 1228 N TYR A 85 1.646 -2.082 11.271 1.00 0.00 N ATOM 1229 CA TYR A 85 1.654 -3.303 12.068 1.00 0.00 C ATOM 1230 C TYR A 85 1.852 -2.987 13.547 1.00 0.00 C ATOM 1231 O TYR A 85 2.975 -2.776 14.004 1.00 0.00 O ATOM 1232 CB TYR A 85 2.757 -4.246 11.585 1.00 0.00 C ATOM 1233 CG TYR A 85 3.082 -5.351 12.565 1.00 0.00 C ATOM 1234 CD1 TYR A 85 2.074 -6.011 13.257 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.396 -5.734 12.799 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.366 -7.020 14.154 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.698 -6.743 13.693 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.679 -7.383 14.368 1.00 0.00 C ATOM 1239 OH TYR A 85 3.975 -8.388 15.260 1.00 0.00 O ATOM 0 H TYR A 85 2.550 -1.613 11.208 1.00 0.00 H new ATOM 0 HA TYR A 85 0.688 -3.792 11.945 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.454 -4.690 10.637 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.660 -3.667 11.391 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.044 -5.730 13.091 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.196 -5.234 12.273 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.570 -7.522 14.685 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.726 -7.029 13.862 1.00 0.00 H new ATOM 0 HH TYR A 85 4.945 -8.521 15.293 1.00 0.00 H new ATOM 1249 N ARG A 86 0.751 -2.957 14.292 1.00 0.00 N ATOM 1250 CA ARG A 86 0.802 -2.667 15.720 1.00 0.00 C ATOM 1251 C ARG A 86 1.334 -1.259 15.969 1.00 0.00 C ATOM 1252 O ARG A 86 1.930 -0.985 17.010 1.00 0.00 O ATOM 1253 CB ARG A 86 1.681 -3.691 16.439 1.00 0.00 C ATOM 1254 CG ARG A 86 0.926 -4.929 16.894 1.00 0.00 C ATOM 1255 CD ARG A 86 1.858 -5.945 17.537 1.00 0.00 C ATOM 1256 NE ARG A 86 1.169 -6.772 18.524 1.00 0.00 N ATOM 1257 CZ ARG A 86 1.789 -7.405 19.514 1.00 0.00 C ATOM 1258 NH1 ARG A 86 3.105 -7.305 19.647 1.00 0.00 N ATOM 1259 NH2 ARG A 86 1.094 -8.138 20.373 1.00 0.00 N ATOM 0 H ARG A 86 -0.187 -3.130 13.930 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.212 -2.729 16.115 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.490 -3.993 15.774 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.141 -3.217 17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.151 -4.643 17.605 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.423 -5.384 16.041 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.286 -6.584 16.765 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.687 -5.424 18.016 1.00 0.00 H new ATOM 0 HE ARG A 86 0.156 -6.869 18.449 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.643 -6.741 18.989 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.579 -7.792 20.408 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.082 -8.217 20.274 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.572 -8.623 21.132 1.00 0.00 H new ATOM 1273 N GLY A 87 1.115 -0.369 15.005 1.00 0.00 N ATOM 1274 CA GLY A 87 1.579 0.999 15.139 1.00 0.00 C ATOM 1275 C GLY A 87 2.971 1.198 14.572 1.00 0.00 C ATOM 1276 O GLY A 87 3.799 1.884 15.169 1.00 0.00 O ATOM 0 H GLY A 87 0.624 -0.572 14.134 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.884 1.667 14.630 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.576 1.279 16.192 1.00 0.00 H new ATOM 1280 N GLN A 88 3.228 0.594 13.416 1.00 0.00 N ATOM 1281 CA GLN A 88 4.531 0.706 12.770 1.00 0.00 C ATOM 1282 C GLN A 88 4.435 0.355 11.289 1.00 0.00 C ATOM 1283 O GLN A 88 4.251 -0.807 10.925 1.00 0.00 O ATOM 1284 CB GLN A 88 5.546 -0.209 13.458 1.00 0.00 C ATOM 1285 CG GLN A 88 5.890 0.222 14.874 1.00 0.00 C ATOM 1286 CD GLN A 88 7.072 -0.537 15.444 1.00 0.00 C ATOM 1287 OE1 GLN A 88 8.224 -0.137 15.271 1.00 0.00 O ATOM 1288 NE2 GLN A 88 6.793 -1.641 16.129 1.00 0.00 N ATOM 0 H GLN A 88 2.552 0.023 12.908 1.00 0.00 H new ATOM 0 HA GLN A 88 4.865 1.740 12.860 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.150 -1.224 13.482 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.459 -0.237 12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.111 1.289 14.881 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.022 0.072 15.516 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.824 -1.936 16.248 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.548 -2.193 16.536 1.00 0.00 H new ATOM 1297 N HIS A 89 4.561 1.368 10.437 1.00 0.00 N ATOM 1298 CA HIS A 89 4.489 1.167 8.994 1.00 0.00 C ATOM 1299 C HIS A 89 5.377 0.003 8.562 1.00 0.00 C ATOM 1300 O HIS A 89 6.579 -0.004 8.826 1.00 0.00 O ATOM 1301 CB HIS A 89 4.905 2.441 8.258 1.00 0.00 C ATOM 1302 CG HIS A 89 3.763 3.368 7.974 1.00 0.00 C ATOM 1303 ND1 HIS A 89 3.296 3.619 6.702 1.00 0.00 N ATOM 1304 CD2 HIS A 89 2.993 4.105 8.809 1.00 0.00 C ATOM 1305 CE1 HIS A 89 2.289 4.472 6.765 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.085 4.783 8.032 1.00 0.00 N ATOM 0 H HIS A 89 4.713 2.336 10.721 1.00 0.00 H new ATOM 0 HA HIS A 89 3.457 0.929 8.737 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.651 2.968 8.853 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.383 2.168 7.317 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.077 4.151 9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.728 4.851 5.923 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.370 5.423 8.378 1.00 0.00 H new ATOM 1314 N VAL A 90 4.776 -0.979 7.898 1.00 0.00 N ATOM 1315 CA VAL A 90 5.512 -2.147 7.430 1.00 0.00 C ATOM 1316 C VAL A 90 6.460 -1.781 6.294 1.00 0.00 C ATOM 1317 O VAL A 90 6.467 -0.645 5.817 1.00 0.00 O ATOM 1318 CB VAL A 90 4.558 -3.257 6.950 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.641 -3.699 8.081 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.750 -2.783 5.752 1.00 0.00 C ATOM 0 H VAL A 90 3.781 -0.989 7.672 1.00 0.00 H new ATOM 0 HA VAL A 90 6.090 -2.516 8.277 1.00 0.00 H new ATOM 0 HB VAL A 90 5.154 -4.116 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.974 -4.484 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.240 -4.081 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.050 -2.849 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.081 -3.580 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.163 -1.908 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.426 -2.521 4.938 1.00 0.00 H new ATOM 1330 N THR A 91 7.261 -2.750 5.862 1.00 0.00 N ATOM 1331 CA THR A 91 8.214 -2.530 4.781 1.00 0.00 C ATOM 1332 C THR A 91 7.506 -2.086 3.506 1.00 0.00 C ATOM 1333 O THR A 91 6.526 -2.697 3.083 1.00 0.00 O ATOM 1334 CB THR A 91 9.031 -3.802 4.485 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.531 -4.358 5.706 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.190 -3.494 3.550 1.00 0.00 C ATOM 0 H THR A 91 7.269 -3.696 6.245 1.00 0.00 H new ATOM 0 HA THR A 91 8.890 -1.741 5.111 1.00 0.00 H new ATOM 0 HB THR A 91 8.375 -4.524 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.048 -5.167 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.753 -4.407 3.355 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.804 -3.098 2.611 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.845 -2.756 4.013 1.00 0.00 H new ATOM 1344 N GLY A 92 8.010 -1.017 2.897 1.00 0.00 N ATOM 1345 CA GLY A 92 7.414 -0.509 1.675 1.00 0.00 C ATOM 1346 C GLY A 92 6.091 0.189 1.922 1.00 0.00 C ATOM 1347 O GLY A 92 5.243 0.259 1.033 1.00 0.00 O ATOM 0 H GLY A 92 8.820 -0.494 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.105 0.187 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.262 -1.334 0.978 1.00 0.00 H new ATOM 1351 N SER A 93 5.914 0.706 3.134 1.00 0.00 N ATOM 1352 CA SER A 93 4.683 1.397 3.498 1.00 0.00 C ATOM 1353 C SER A 93 4.957 2.864 3.815 1.00 0.00 C ATOM 1354 O SER A 93 5.979 3.218 4.404 1.00 0.00 O ATOM 1355 CB SER A 93 4.027 0.717 4.701 1.00 0.00 C ATOM 1356 OG SER A 93 2.617 0.857 4.660 1.00 0.00 O ATOM 0 H SER A 93 6.608 0.659 3.880 1.00 0.00 H new ATOM 0 HA SER A 93 4.003 1.348 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.290 -0.341 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.412 1.152 5.623 1.00 0.00 H new ATOM 0 HG SER A 93 2.230 0.514 5.493 1.00 0.00 H new ATOM 1362 N PRO A 94 4.022 3.740 3.417 1.00 0.00 N ATOM 1363 CA PRO A 94 2.802 3.331 2.715 1.00 0.00 C ATOM 1364 C PRO A 94 3.085 2.839 1.299 1.00 0.00 C ATOM 1365 O PRO A 94 4.234 2.816 0.857 1.00 0.00 O ATOM 1366 CB PRO A 94 1.967 4.613 2.678 1.00 0.00 C ATOM 1367 CG PRO A 94 2.964 5.717 2.764 1.00 0.00 C ATOM 1368 CD PRO A 94 4.085 5.197 3.620 1.00 0.00 C ATOM 0 HA PRO A 94 2.306 2.497 3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.382 4.678 1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.262 4.650 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.326 5.994 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.520 6.610 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.048 5.604 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.947 5.463 4.668 1.00 0.00 H new ATOM 1376 N PHE A 95 2.030 2.445 0.593 1.00 0.00 N ATOM 1377 CA PHE A 95 2.166 1.953 -0.773 1.00 0.00 C ATOM 1378 C PHE A 95 1.453 2.876 -1.757 1.00 0.00 C ATOM 1379 O PHE A 95 0.224 2.950 -1.774 1.00 0.00 O ATOM 1380 CB PHE A 95 1.601 0.535 -0.885 1.00 0.00 C ATOM 1381 CG PHE A 95 2.261 -0.447 0.040 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.447 -1.067 -0.318 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.694 -0.752 1.267 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.057 -1.971 0.531 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.299 -1.655 2.120 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.481 -2.267 1.751 1.00 0.00 C ATOM 0 H PHE A 95 1.072 2.457 0.944 1.00 0.00 H new ATOM 0 HA PHE A 95 3.227 1.935 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.532 0.560 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.714 0.187 -1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.900 -0.841 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.769 -0.278 1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.983 -2.445 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.848 -1.882 3.075 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.954 -2.975 2.415 1.00 0.00 H new ATOM 1396 N GLN A 96 2.233 3.577 -2.574 1.00 0.00 N ATOM 1397 CA GLN A 96 1.676 4.496 -3.560 1.00 0.00 C ATOM 1398 C GLN A 96 1.416 3.783 -4.882 1.00 0.00 C ATOM 1399 O GLN A 96 2.281 3.074 -5.398 1.00 0.00 O ATOM 1400 CB GLN A 96 2.624 5.676 -3.780 1.00 0.00 C ATOM 1401 CG GLN A 96 1.911 6.971 -4.132 1.00 0.00 C ATOM 1402 CD GLN A 96 2.812 7.958 -4.848 1.00 0.00 C ATOM 1403 OE1 GLN A 96 2.702 8.152 -6.059 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.712 8.588 -4.102 1.00 0.00 N ATOM 0 H GLN A 96 3.252 3.526 -2.573 1.00 0.00 H new ATOM 0 HA GLN A 96 0.726 4.869 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.215 5.830 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.322 5.426 -4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.050 6.748 -4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.528 7.430 -3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.769 8.397 -3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.346 9.263 -4.529 1.00 0.00 H new ATOM 1413 N PHE A 97 0.220 3.975 -5.427 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.155 3.349 -6.690 1.00 0.00 C ATOM 1415 C PHE A 97 -1.213 4.177 -7.415 1.00 0.00 C ATOM 1416 O PHE A 97 -2.100 4.758 -6.789 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.678 1.932 -6.446 1.00 0.00 C ATOM 1418 CG PHE A 97 -2.090 1.894 -5.936 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -3.159 1.895 -6.818 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.349 1.859 -4.576 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -4.460 1.860 -6.352 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -3.648 1.823 -4.104 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.705 1.825 -4.993 1.00 0.00 C ATOM 0 H PHE A 97 -0.507 4.559 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 97 0.734 3.297 -7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.621 1.367 -7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.027 1.432 -5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.974 1.923 -7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.527 1.860 -3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.284 1.860 -7.050 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.836 1.793 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.721 1.799 -4.627 1.00 0.00 H new ATOM 1433 N THR A 98 -1.112 4.225 -8.739 1.00 0.00 N ATOM 1434 CA THR A 98 -2.058 4.982 -9.550 1.00 0.00 C ATOM 1435 C THR A 98 -2.981 4.052 -10.329 1.00 0.00 C ATOM 1436 O THR A 98 -2.547 3.026 -10.853 1.00 0.00 O ATOM 1437 CB THR A 98 -1.331 5.913 -10.539 1.00 0.00 C ATOM 1438 OG1 THR A 98 -0.469 6.807 -9.827 1.00 0.00 O ATOM 1439 CG2 THR A 98 -2.330 6.711 -11.364 1.00 0.00 C ATOM 0 H THR A 98 -0.385 3.749 -9.273 1.00 0.00 H new ATOM 0 HA THR A 98 -2.651 5.586 -8.863 1.00 0.00 H new ATOM 0 HB THR A 98 -0.736 5.297 -11.214 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.009 7.394 -10.463 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.794 7.361 -12.055 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.965 6.027 -11.927 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.948 7.317 -10.701 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.257 4.418 -10.403 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.242 3.617 -11.120 1.00 0.00 C ATOM 1449 C VAL A 99 -5.559 4.226 -12.482 1.00 0.00 C ATOM 1450 O VAL A 99 -5.516 5.444 -12.654 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.548 3.479 -10.315 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.447 2.420 -10.933 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -6.244 3.150 -8.861 1.00 0.00 C ATOM 0 H VAL A 99 -4.633 5.264 -9.975 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.805 2.628 -11.260 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.076 4.432 -10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.365 2.337 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.691 2.703 -11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.930 1.460 -10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.178 3.056 -8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.694 2.210 -8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.642 3.948 -8.426 1.00 0.00 H new ATOM 1463 N GLY A 100 -5.879 3.370 -13.447 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.199 3.842 -14.781 1.00 0.00 C ATOM 1465 C GLY A 100 -7.688 4.050 -14.981 1.00 0.00 C ATOM 1466 O GLY A 100 -8.517 3.333 -14.420 1.00 0.00 O ATOM 0 H GLY A 100 -5.922 2.358 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.676 4.780 -14.966 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.834 3.123 -15.515 1.00 0.00 H new