USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 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 96 SER OG : rot -69:sc= -0.232 USER MOD Set 1.2: A 121 THR OG1 : rot 168:sc= 0.516 USER MOD Set 2.1: A 99 SER OG : rot -69:sc= 0.945 USER MOD Set 2.2: A 118 THR OG1 : rot 180:sc= 0.823 USER MOD Set 3.1: A 70 LYS NZ :NH3+ -167:sc= -1.22! (180deg=-1.51!) USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 41 ASN : amide:sc= -3.65 X(o=-3.6,f=-4.1!) USER MOD Set 4.2: A 44 SER OG : rot -170:sc= 0.024 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.57) USER MOD Single : A 34 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.3) USER MOD Single : A 36 SER OG : rot 8:sc= 0.104 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 120:sc= 0.149 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.267 X(o=0.27,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 64 TYR OH : rot 57:sc= -0.698 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.46) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -15:sc= 0.941 USER MOD Single : A 83 ASN : amide:sc= -0.974! K(o=-0.97!,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.775 X(o=-0.77,f=-0.66) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -3.79! K(o=-3.8!,f=-1) USER MOD Single : A 101 GLN : amide:sc= -0.78! K(o=-0.78!,f=-1.4) USER MOD Single : A 103 SER OG : rot 89:sc=0.000397 USER MOD Single : A 105 MET CE :methyl -145:sc= -10.2! (180deg=-15.1!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.322 K(o=-0.32,f=-2) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 114 SER OG : rot 180:sc= -0.5 USER MOD Single : A 115 ASN : amide:sc= -0.0745 K(o=-0.075,f=-1.2!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 0.446 16.964 9.400 1.00 0.00 N ATOM 340 CA VAL A 27 0.173 15.565 9.704 1.00 0.00 C ATOM 341 C VAL A 27 -0.841 15.437 10.836 1.00 0.00 C ATOM 342 O VAL A 27 -0.963 16.309 11.696 1.00 0.00 O ATOM 343 CB VAL A 27 1.459 14.814 10.095 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.464 14.845 8.953 1.00 0.00 C ATOM 345 CG2 VAL A 27 2.060 15.409 11.360 1.00 0.00 C ATOM 0 HA VAL A 27 -0.238 15.119 8.799 1.00 0.00 H new ATOM 0 HB VAL A 27 1.204 13.773 10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.366 14.309 9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.030 14.369 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.716 15.879 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.968 14.866 11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.301 16.458 11.190 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.342 15.330 12.176 1.00 0.00 H new ATOM 355 N PRO A 28 -1.587 14.322 10.839 1.00 0.00 N ATOM 356 CA PRO A 28 -2.603 14.052 11.860 1.00 0.00 C ATOM 357 C PRO A 28 -1.990 13.762 13.226 1.00 0.00 C ATOM 358 O PRO A 28 -0.783 13.549 13.342 1.00 0.00 O ATOM 359 CB PRO A 28 -3.324 12.812 11.324 1.00 0.00 C ATOM 360 CG PRO A 28 -2.322 12.139 10.451 1.00 0.00 C ATOM 361 CD PRO A 28 -1.495 13.239 9.845 1.00 0.00 C ATOM 0 HA PRO A 28 -3.258 14.908 12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.644 12.159 12.136 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.218 13.085 10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.699 11.455 11.027 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.813 11.548 9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.463 12.925 9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.886 13.549 8.876 1.00 0.00 H new ATOM 369 N SER A 29 -2.829 13.755 14.257 1.00 0.00 N ATOM 370 CA SER A 29 -2.368 13.494 15.615 1.00 0.00 C ATOM 371 C SER A 29 -3.115 12.311 16.225 1.00 0.00 C ATOM 372 O SER A 29 -2.705 11.766 17.249 1.00 0.00 O ATOM 373 CB SER A 29 -2.558 14.736 16.488 1.00 0.00 C ATOM 374 OG SER A 29 -1.547 15.697 16.234 1.00 0.00 O ATOM 0 H SER A 29 -3.831 13.927 14.177 1.00 0.00 H new ATOM 0 HA SER A 29 -1.307 13.248 15.571 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.537 15.174 16.295 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.538 14.452 17.540 1.00 0.00 H new ATOM 0 HG SER A 29 -1.691 16.482 16.803 1.00 0.00 H new ATOM 380 N ALA A 30 -4.213 11.921 15.586 1.00 0.00 N ATOM 381 CA ALA A 30 -5.016 10.802 16.063 1.00 0.00 C ATOM 382 C ALA A 30 -5.028 9.663 15.049 1.00 0.00 C ATOM 383 O ALA A 30 -5.047 9.879 13.837 1.00 0.00 O ATOM 384 CB ALA A 30 -6.436 11.261 16.360 1.00 0.00 C ATOM 0 H ALA A 30 -4.566 12.363 14.737 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.566 10.430 16.983 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.025 10.415 16.715 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.415 12.036 17.126 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.887 11.661 15.452 1.00 0.00 H new ATOM 390 N PRO A 31 -5.015 8.420 15.554 1.00 0.00 N ATOM 391 CA PRO A 31 -5.024 7.222 14.708 1.00 0.00 C ATOM 392 C PRO A 31 -6.358 7.025 13.996 1.00 0.00 C ATOM 393 O PRO A 31 -7.349 7.694 14.288 1.00 0.00 O ATOM 394 CB PRO A 31 -4.775 6.085 15.702 1.00 0.00 C ATOM 395 CG PRO A 31 -5.263 6.610 17.008 1.00 0.00 C ATOM 396 CD PRO A 31 -4.992 8.089 16.988 1.00 0.00 C ATOM 0 HA PRO A 31 -4.283 7.280 13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.312 5.182 15.413 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.717 5.825 15.750 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.327 6.410 17.136 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.746 6.130 17.839 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.750 8.644 17.541 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.029 8.327 17.440 1.00 0.00 H new ATOM 404 N PRO A 32 -6.386 6.085 13.040 1.00 0.00 N ATOM 405 CA PRO A 32 -7.593 5.777 12.268 1.00 0.00 C ATOM 406 C PRO A 32 -8.661 5.090 13.111 1.00 0.00 C ATOM 407 O PRO A 32 -8.564 5.048 14.337 1.00 0.00 O ATOM 408 CB PRO A 32 -7.084 4.832 11.176 1.00 0.00 C ATOM 409 CG PRO A 32 -5.864 4.204 11.757 1.00 0.00 C ATOM 410 CD PRO A 32 -5.241 5.249 12.640 1.00 0.00 C ATOM 0 HA PRO A 32 -8.071 6.678 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.832 4.082 10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.852 5.375 10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.119 3.312 12.329 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.174 3.894 10.973 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.748 4.803 13.504 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.487 5.828 12.107 1.00 0.00 H new ATOM 418 N GLN A 33 -9.679 4.553 12.446 1.00 0.00 N ATOM 419 CA GLN A 33 -10.766 3.868 13.136 1.00 0.00 C ATOM 420 C GLN A 33 -11.048 2.513 12.496 1.00 0.00 C ATOM 421 O GLN A 33 -10.660 2.261 11.357 1.00 0.00 O ATOM 422 CB GLN A 33 -12.031 4.727 13.117 1.00 0.00 C ATOM 423 CG GLN A 33 -12.082 5.760 14.232 1.00 0.00 C ATOM 424 CD GLN A 33 -13.460 6.371 14.399 1.00 0.00 C ATOM 425 OE1 GLN A 33 -14.474 5.677 14.320 1.00 0.00 O ATOM 426 NE2 GLN A 33 -13.503 7.678 14.631 1.00 0.00 N ATOM 0 H GLN A 33 -9.774 4.579 11.431 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.461 3.705 14.170 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.099 5.238 12.156 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.903 4.077 13.195 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.780 5.293 15.169 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.361 6.550 14.023 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.637 8.214 14.689 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.402 8.145 14.752 1.00 0.00 H new ATOM 435 N ASN A 34 -11.726 1.643 13.239 1.00 0.00 N ATOM 436 CA ASN A 34 -12.059 0.313 12.745 1.00 0.00 C ATOM 437 C ASN A 34 -10.800 -0.448 12.339 1.00 0.00 C ATOM 438 O ASN A 34 -10.751 -1.066 11.275 1.00 0.00 O ATOM 439 CB ASN A 34 -13.014 0.412 11.553 1.00 0.00 C ATOM 440 CG ASN A 34 -13.633 -0.925 11.195 1.00 0.00 C ATOM 441 OD1 ASN A 34 -13.829 -1.782 12.057 1.00 0.00 O ATOM 442 ND2 ASN A 34 -13.943 -1.109 9.917 1.00 0.00 N ATOM 0 H ASN A 34 -12.055 1.836 14.185 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.549 -0.233 13.551 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.805 1.125 11.783 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.474 0.802 10.690 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.362 -1.989 9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.763 -0.370 9.237 1.00 0.00 H new ATOM 449 N VAL A 35 -9.784 -0.399 13.194 1.00 0.00 N ATOM 450 CA VAL A 35 -8.525 -1.084 12.927 1.00 0.00 C ATOM 451 C VAL A 35 -8.531 -2.492 13.510 1.00 0.00 C ATOM 452 O VAL A 35 -8.224 -2.689 14.686 1.00 0.00 O ATOM 453 CB VAL A 35 -7.328 -0.306 13.505 1.00 0.00 C ATOM 454 CG1 VAL A 35 -6.020 -0.999 13.154 1.00 0.00 C ATOM 455 CG2 VAL A 35 -7.333 1.130 13.000 1.00 0.00 C ATOM 0 H VAL A 35 -9.808 0.108 14.078 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.421 -1.143 11.844 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.420 -0.286 14.591 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.186 -0.435 13.571 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.020 -2.007 13.569 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.916 -1.053 12.070 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.481 1.666 13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.266 1.133 11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.256 1.621 13.308 1.00 0.00 H new ATOM 465 N SER A 36 -8.882 -3.469 12.680 1.00 0.00 N ATOM 466 CA SER A 36 -8.931 -4.860 13.115 1.00 0.00 C ATOM 467 C SER A 36 -8.497 -5.796 11.991 1.00 0.00 C ATOM 468 O SER A 36 -8.408 -5.393 10.831 1.00 0.00 O ATOM 469 CB SER A 36 -10.344 -5.222 13.578 1.00 0.00 C ATOM 470 OG SER A 36 -10.629 -4.649 14.842 1.00 0.00 O ATOM 0 H SER A 36 -9.137 -3.323 11.703 1.00 0.00 H new ATOM 0 HA SER A 36 -8.241 -4.978 13.950 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.071 -4.873 12.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.445 -6.306 13.636 1.00 0.00 H new ATOM 0 HG SER A 36 -9.907 -4.036 15.093 1.00 0.00 H new ATOM 476 N LEU A 37 -8.228 -7.048 12.344 1.00 0.00 N ATOM 477 CA LEU A 37 -7.802 -8.044 11.366 1.00 0.00 C ATOM 478 C LEU A 37 -8.803 -9.192 11.287 1.00 0.00 C ATOM 479 O LEU A 37 -9.252 -9.708 12.310 1.00 0.00 O ATOM 480 CB LEU A 37 -6.417 -8.584 11.727 1.00 0.00 C ATOM 481 CG LEU A 37 -5.271 -7.573 11.687 1.00 0.00 C ATOM 482 CD1 LEU A 37 -4.086 -8.076 12.496 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.858 -7.292 10.249 1.00 0.00 C ATOM 0 H LEU A 37 -8.297 -7.398 13.300 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.753 -7.561 10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.465 -9.009 12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.178 -9.401 11.045 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.618 -6.641 12.133 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.280 -7.343 12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.390 -8.225 13.532 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.737 -9.022 12.081 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.041 -6.570 10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.530 -8.218 9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.707 -6.886 9.699 1.00 0.00 H new ATOM 495 N GLU A 38 -9.147 -9.588 10.065 1.00 0.00 N ATOM 496 CA GLU A 38 -10.094 -10.676 9.853 1.00 0.00 C ATOM 497 C GLU A 38 -9.387 -11.914 9.310 1.00 0.00 C ATOM 498 O GLU A 38 -8.624 -11.835 8.347 1.00 0.00 O ATOM 499 CB GLU A 38 -11.198 -10.241 8.887 1.00 0.00 C ATOM 500 CG GLU A 38 -12.270 -11.296 8.672 1.00 0.00 C ATOM 501 CD GLU A 38 -13.329 -11.282 9.757 1.00 0.00 C ATOM 502 OE1 GLU A 38 -14.230 -10.420 9.694 1.00 0.00 O ATOM 503 OE2 GLU A 38 -13.256 -12.132 10.669 1.00 0.00 O ATOM 0 H GLU A 38 -8.784 -9.172 9.208 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.541 -10.926 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.665 -9.333 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.750 -9.990 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.745 -11.134 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.804 -12.281 8.638 1.00 0.00 H new ATOM 510 N VAL A 39 -9.646 -13.059 9.935 1.00 0.00 N ATOM 511 CA VAL A 39 -9.036 -14.314 9.515 1.00 0.00 C ATOM 512 C VAL A 39 -9.965 -15.095 8.593 1.00 0.00 C ATOM 513 O VAL A 39 -10.931 -15.712 9.043 1.00 0.00 O ATOM 514 CB VAL A 39 -8.674 -15.195 10.726 1.00 0.00 C ATOM 515 CG1 VAL A 39 -8.073 -16.514 10.266 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.719 -14.459 11.653 1.00 0.00 C ATOM 0 H VAL A 39 -10.274 -13.142 10.734 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.124 -14.058 8.976 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.587 -15.413 11.281 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.824 -17.123 11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.794 -17.046 9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.170 -16.320 9.688 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.474 -15.096 12.503 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.807 -14.209 11.112 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.191 -13.544 12.010 1.00 0.00 H new ATOM 526 N VAL A 40 -9.666 -15.065 7.298 1.00 0.00 N ATOM 527 CA VAL A 40 -10.473 -15.772 6.310 1.00 0.00 C ATOM 528 C VAL A 40 -10.025 -17.222 6.170 1.00 0.00 C ATOM 529 O VAL A 40 -10.846 -18.139 6.175 1.00 0.00 O ATOM 530 CB VAL A 40 -10.399 -15.088 4.932 1.00 0.00 C ATOM 531 CG1 VAL A 40 -11.167 -15.893 3.894 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.931 -13.665 5.014 1.00 0.00 C ATOM 0 H VAL A 40 -8.871 -14.559 6.909 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.503 -15.746 6.666 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.354 -15.044 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.103 -15.394 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.737 -16.891 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.212 -15.971 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.871 -13.197 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.970 -13.683 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.334 -13.094 5.725 1.00 0.00 H new ATOM 542 N ASN A 41 -8.717 -17.423 6.047 1.00 0.00 N ATOM 543 CA ASN A 41 -8.159 -18.763 5.905 1.00 0.00 C ATOM 544 C ASN A 41 -6.823 -18.875 6.633 1.00 0.00 C ATOM 545 O ASN A 41 -6.362 -17.919 7.257 1.00 0.00 O ATOM 546 CB ASN A 41 -7.978 -19.109 4.426 1.00 0.00 C ATOM 547 CG ASN A 41 -9.257 -18.932 3.630 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.339 -19.308 4.081 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.137 -18.358 2.439 1.00 0.00 N ATOM 0 H ASN A 41 -8.024 -16.675 6.043 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.857 -19.470 6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.198 -18.477 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.637 -20.140 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.962 -18.213 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.220 -18.062 2.106 1.00 0.00 H new ATOM 556 N SER A 42 -6.206 -20.049 6.548 1.00 0.00 N ATOM 557 CA SER A 42 -4.925 -20.289 7.201 1.00 0.00 C ATOM 558 C SER A 42 -3.786 -19.645 6.415 1.00 0.00 C ATOM 559 O SER A 42 -2.716 -19.374 6.961 1.00 0.00 O ATOM 560 CB SER A 42 -4.674 -21.791 7.346 1.00 0.00 C ATOM 561 OG SER A 42 -4.501 -22.403 6.080 1.00 0.00 O ATOM 0 H SER A 42 -6.573 -20.849 6.033 1.00 0.00 H new ATOM 0 HA SER A 42 -4.961 -19.838 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.788 -21.957 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.512 -22.255 7.866 1.00 0.00 H new ATOM 0 HG SER A 42 -4.340 -23.362 6.200 1.00 0.00 H new ATOM 567 N ARG A 43 -4.025 -19.404 5.130 1.00 0.00 N ATOM 568 CA ARG A 43 -3.021 -18.794 4.267 1.00 0.00 C ATOM 569 C ARG A 43 -3.536 -17.487 3.672 1.00 0.00 C ATOM 570 O ARG A 43 -2.821 -16.801 2.942 1.00 0.00 O ATOM 571 CB ARG A 43 -2.628 -19.758 3.146 1.00 0.00 C ATOM 572 CG ARG A 43 -2.605 -21.215 3.576 1.00 0.00 C ATOM 573 CD ARG A 43 -1.955 -22.097 2.520 1.00 0.00 C ATOM 574 NE ARG A 43 -2.917 -22.553 1.520 1.00 0.00 N ATOM 575 CZ ARG A 43 -2.572 -22.996 0.317 1.00 0.00 C ATOM 576 NH1 ARG A 43 -1.294 -23.043 -0.034 1.00 0.00 N ATOM 577 NH2 ARG A 43 -3.505 -23.393 -0.538 1.00 0.00 N ATOM 0 H ARG A 43 -4.906 -19.622 4.664 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.142 -18.575 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.327 -19.643 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.642 -19.483 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.061 -21.310 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.623 -21.557 3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.155 -21.544 2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.496 -22.960 3.001 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.908 -22.530 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.574 -22.738 0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.031 -23.384 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.489 -23.358 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.239 -23.733 -1.462 1.00 0.00 H new ATOM 591 N SER A 44 -4.782 -17.150 3.989 1.00 0.00 N ATOM 592 CA SER A 44 -5.396 -15.928 3.483 1.00 0.00 C ATOM 593 C SER A 44 -5.930 -15.073 4.628 1.00 0.00 C ATOM 594 O SER A 44 -6.664 -15.559 5.489 1.00 0.00 O ATOM 595 CB SER A 44 -6.528 -16.265 2.511 1.00 0.00 C ATOM 596 OG SER A 44 -6.122 -17.249 1.576 1.00 0.00 O ATOM 0 H SER A 44 -5.386 -17.706 4.594 1.00 0.00 H new ATOM 0 HA SER A 44 -4.631 -15.359 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.394 -16.623 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.838 -15.363 1.983 1.00 0.00 H new ATOM 0 HG SER A 44 -6.801 -17.333 0.874 1.00 0.00 H new ATOM 602 N ILE A 45 -5.558 -13.798 4.630 1.00 0.00 N ATOM 603 CA ILE A 45 -6.000 -12.875 5.667 1.00 0.00 C ATOM 604 C ILE A 45 -6.559 -11.592 5.061 1.00 0.00 C ATOM 605 O ILE A 45 -6.037 -11.083 4.068 1.00 0.00 O ATOM 606 CB ILE A 45 -4.852 -12.516 6.629 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.297 -13.780 7.289 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.332 -11.530 7.683 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.207 -13.505 8.301 1.00 0.00 C ATOM 0 H ILE A 45 -4.951 -13.380 3.925 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.786 -13.383 6.225 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.052 -12.045 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.112 -14.311 7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.906 -14.442 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.509 -11.286 8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.685 -10.621 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.147 -11.976 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.861 -14.446 8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.374 -13.001 7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.599 -12.869 9.095 1.00 0.00 H new ATOM 621 N LYS A 46 -7.623 -11.073 5.664 1.00 0.00 N ATOM 622 CA LYS A 46 -8.252 -9.847 5.187 1.00 0.00 C ATOM 623 C LYS A 46 -8.011 -8.697 6.159 1.00 0.00 C ATOM 624 O LYS A 46 -8.335 -8.794 7.343 1.00 0.00 O ATOM 625 CB LYS A 46 -9.755 -10.062 4.997 1.00 0.00 C ATOM 626 CG LYS A 46 -10.518 -8.785 4.692 1.00 0.00 C ATOM 627 CD LYS A 46 -10.529 -8.484 3.203 1.00 0.00 C ATOM 628 CE LYS A 46 -11.489 -7.352 2.870 1.00 0.00 C ATOM 629 NZ LYS A 46 -12.862 -7.854 2.586 1.00 0.00 N ATOM 0 H LYS A 46 -8.068 -11.483 6.485 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.804 -9.588 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.912 -10.772 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.166 -10.514 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.542 -8.877 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.064 -7.952 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.524 -8.217 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.816 -9.380 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.524 -6.649 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.117 -6.803 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.486 -7.052 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.833 -8.505 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.228 -8.356 3.420 1.00 0.00 H new ATOM 643 N VAL A 47 -7.442 -7.608 5.652 1.00 0.00 N ATOM 644 CA VAL A 47 -7.160 -6.439 6.475 1.00 0.00 C ATOM 645 C VAL A 47 -8.021 -5.252 6.057 1.00 0.00 C ATOM 646 O VAL A 47 -7.937 -4.780 4.924 1.00 0.00 O ATOM 647 CB VAL A 47 -5.676 -6.037 6.390 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.394 -4.841 7.287 1.00 0.00 C ATOM 649 CG2 VAL A 47 -4.784 -7.213 6.760 1.00 0.00 C ATOM 0 H VAL A 47 -7.167 -7.511 4.674 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.396 -6.712 7.503 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.454 -5.750 5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.340 -4.572 7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.007 -3.997 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.632 -5.096 8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.739 -6.911 6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.007 -7.532 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.967 -8.039 6.073 1.00 0.00 H new ATOM 659 N SER A 48 -8.849 -4.774 6.981 1.00 0.00 N ATOM 660 CA SER A 48 -9.729 -3.644 6.707 1.00 0.00 C ATOM 661 C SER A 48 -9.478 -2.509 7.696 1.00 0.00 C ATOM 662 O SER A 48 -8.816 -2.695 8.716 1.00 0.00 O ATOM 663 CB SER A 48 -11.193 -4.082 6.776 1.00 0.00 C ATOM 664 OG SER A 48 -11.520 -4.567 8.067 1.00 0.00 O ATOM 0 H SER A 48 -8.929 -5.152 7.925 1.00 0.00 H new ATOM 0 HA SER A 48 -9.513 -3.282 5.702 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.840 -3.241 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.379 -4.859 6.034 1.00 0.00 H new ATOM 0 HG SER A 48 -12.461 -4.839 8.086 1.00 0.00 H new ATOM 670 N TRP A 49 -10.013 -1.334 7.385 1.00 0.00 N ATOM 671 CA TRP A 49 -9.848 -0.168 8.245 1.00 0.00 C ATOM 672 C TRP A 49 -10.752 0.974 7.793 1.00 0.00 C ATOM 673 O TRP A 49 -11.423 0.879 6.764 1.00 0.00 O ATOM 674 CB TRP A 49 -8.389 0.290 8.245 1.00 0.00 C ATOM 675 CG TRP A 49 -7.878 0.645 6.881 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.858 1.887 6.312 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.316 -0.250 5.916 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.317 1.817 5.051 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.975 0.517 4.785 1.00 0.00 C ATOM 680 CE3 TRP A 49 -7.065 -1.625 5.898 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.399 -0.047 3.650 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.493 -2.183 4.771 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.165 -1.395 3.659 1.00 0.00 C ATOM 0 H TRP A 49 -10.565 -1.163 6.544 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.132 -0.452 9.258 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.287 1.155 8.900 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.767 -0.501 8.664 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.215 2.791 6.784 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.190 2.605 4.416 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.314 -2.240 6.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.146 0.558 2.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.295 -3.244 4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.719 -1.861 2.793 1.00 0.00 H new ATOM 694 N LEU A 50 -10.765 2.054 8.567 1.00 0.00 N ATOM 695 CA LEU A 50 -11.586 3.216 8.245 1.00 0.00 C ATOM 696 C LEU A 50 -10.822 4.511 8.501 1.00 0.00 C ATOM 697 O LEU A 50 -9.853 4.549 9.260 1.00 0.00 O ATOM 698 CB LEU A 50 -12.874 3.198 9.070 1.00 0.00 C ATOM 699 CG LEU A 50 -14.044 2.416 8.471 1.00 0.00 C ATOM 700 CD1 LEU A 50 -15.148 2.235 9.501 1.00 0.00 C ATOM 701 CD2 LEU A 50 -14.578 3.120 7.232 1.00 0.00 C ATOM 0 H LEU A 50 -10.216 2.149 9.422 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.839 3.170 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.648 2.780 10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.195 4.228 9.229 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.684 1.430 8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.972 1.677 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.759 1.687 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.506 3.212 9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.410 2.549 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.921 4.119 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.786 3.197 6.487 1.00 0.00 H new ATOM 713 N PRO A 51 -11.269 5.599 7.857 1.00 0.00 N ATOM 714 CA PRO A 51 -10.643 6.917 8.001 1.00 0.00 C ATOM 715 C PRO A 51 -10.875 7.520 9.382 1.00 0.00 C ATOM 716 O PRO A 51 -11.846 7.203 10.070 1.00 0.00 O ATOM 717 CB PRO A 51 -11.337 7.759 6.927 1.00 0.00 C ATOM 718 CG PRO A 51 -12.655 7.096 6.719 1.00 0.00 C ATOM 719 CD PRO A 51 -12.418 5.627 6.937 1.00 0.00 C ATOM 0 HA PRO A 51 -9.560 6.868 7.890 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.460 8.792 7.252 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.756 7.782 6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.399 7.479 7.417 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.033 7.286 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.291 5.139 7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.196 5.113 6.002 1.00 0.00 H new ATOM 727 N PRO A 52 -9.963 8.411 9.800 1.00 0.00 N ATOM 728 CA PRO A 52 -10.048 9.078 11.103 1.00 0.00 C ATOM 729 C PRO A 52 -11.198 10.077 11.169 1.00 0.00 C ATOM 730 O PRO A 52 -11.810 10.424 10.159 1.00 0.00 O ATOM 731 CB PRO A 52 -8.704 9.802 11.219 1.00 0.00 C ATOM 732 CG PRO A 52 -8.267 10.017 9.811 1.00 0.00 C ATOM 733 CD PRO A 52 -8.781 8.836 9.033 1.00 0.00 C ATOM 0 HA PRO A 52 -10.239 8.371 11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.809 10.748 11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.979 9.205 11.772 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.669 10.950 9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.181 10.085 9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.043 9.111 8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.037 8.042 8.969 1.00 0.00 H new ATOM 741 N PRO A 53 -11.502 10.551 12.387 1.00 0.00 N ATOM 742 CA PRO A 53 -12.580 11.518 12.614 1.00 0.00 C ATOM 743 C PRO A 53 -12.251 12.896 12.051 1.00 0.00 C ATOM 744 O PRO A 53 -11.169 13.432 12.289 1.00 0.00 O ATOM 745 CB PRO A 53 -12.690 11.576 14.139 1.00 0.00 C ATOM 746 CG PRO A 53 -11.341 11.177 14.631 1.00 0.00 C ATOM 747 CD PRO A 53 -10.815 10.181 13.636 1.00 0.00 C ATOM 0 HA PRO A 53 -13.504 11.222 12.117 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.955 12.577 14.479 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.462 10.899 14.506 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.681 12.041 14.704 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.403 10.738 15.627 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.732 10.249 13.534 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.044 9.157 13.933 1.00 0.00 H new ATOM 755 N SER A 54 -13.191 13.466 11.304 1.00 0.00 N ATOM 756 CA SER A 54 -12.999 14.781 10.704 1.00 0.00 C ATOM 757 C SER A 54 -12.206 15.692 11.636 1.00 0.00 C ATOM 758 O SER A 54 -11.393 16.500 11.188 1.00 0.00 O ATOM 759 CB SER A 54 -14.351 15.419 10.378 1.00 0.00 C ATOM 760 OG SER A 54 -14.936 14.819 9.235 1.00 0.00 O ATOM 0 H SER A 54 -14.094 13.037 11.100 1.00 0.00 H new ATOM 0 HA SER A 54 -12.434 14.653 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.021 15.314 11.231 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.220 16.487 10.205 1.00 0.00 H new ATOM 0 HG SER A 54 -15.800 15.243 9.049 1.00 0.00 H new ATOM 766 N GLY A 55 -12.449 15.555 12.936 1.00 0.00 N ATOM 767 CA GLY A 55 -11.751 16.372 13.911 1.00 0.00 C ATOM 768 C GLY A 55 -10.291 16.575 13.558 1.00 0.00 C ATOM 769 O GLY A 55 -9.903 17.639 13.072 1.00 0.00 O ATOM 0 H GLY A 55 -13.117 14.893 13.331 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.242 17.342 13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.823 15.902 14.892 1.00 0.00 H new ATOM 773 N THR A 56 -9.476 15.554 13.803 1.00 0.00 N ATOM 774 CA THR A 56 -8.050 15.626 13.510 1.00 0.00 C ATOM 775 C THR A 56 -7.794 15.584 12.008 1.00 0.00 C ATOM 776 O THR A 56 -6.947 16.313 11.494 1.00 0.00 O ATOM 777 CB THR A 56 -7.279 14.475 14.184 1.00 0.00 C ATOM 778 OG1 THR A 56 -5.870 14.708 14.090 1.00 0.00 O ATOM 779 CG2 THR A 56 -7.622 13.142 13.536 1.00 0.00 C ATOM 0 H THR A 56 -9.780 14.667 14.204 1.00 0.00 H new ATOM 0 HA THR A 56 -7.693 16.575 13.910 1.00 0.00 H new ATOM 0 HB THR A 56 -7.571 14.437 15.233 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.487 14.763 14.990 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.066 12.344 14.028 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.691 12.954 13.635 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.355 13.172 12.480 1.00 0.00 H new ATOM 787 N GLN A 57 -8.532 14.726 11.311 1.00 0.00 N ATOM 788 CA GLN A 57 -8.384 14.589 9.867 1.00 0.00 C ATOM 789 C GLN A 57 -8.166 15.949 9.211 1.00 0.00 C ATOM 790 O GLN A 57 -9.121 16.643 8.867 1.00 0.00 O ATOM 791 CB GLN A 57 -9.619 13.913 9.268 1.00 0.00 C ATOM 792 CG GLN A 57 -9.504 13.650 7.775 1.00 0.00 C ATOM 793 CD GLN A 57 -10.801 13.149 7.170 1.00 0.00 C ATOM 794 OE1 GLN A 57 -11.565 13.918 6.586 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.056 11.853 7.307 1.00 0.00 N ATOM 0 H GLN A 57 -9.238 14.116 11.723 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.509 13.968 9.674 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.791 12.968 9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.491 14.540 9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.203 14.568 7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.718 12.916 7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.394 11.252 7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.913 11.458 6.920 1.00 0.00 H new ATOM 804 N ASN A 58 -6.902 16.323 9.042 1.00 0.00 N ATOM 805 CA ASN A 58 -6.558 17.600 8.428 1.00 0.00 C ATOM 806 C ASN A 58 -5.793 17.389 7.125 1.00 0.00 C ATOM 807 O ASN A 58 -4.586 17.620 7.057 1.00 0.00 O ATOM 808 CB ASN A 58 -5.723 18.445 9.393 1.00 0.00 C ATOM 809 CG ASN A 58 -5.679 19.906 8.991 1.00 0.00 C ATOM 810 OD1 ASN A 58 -6.197 20.771 9.698 1.00 0.00 O ATOM 811 ND2 ASN A 58 -5.057 20.189 7.852 1.00 0.00 N ATOM 0 H ASN A 58 -6.099 15.760 9.322 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.485 18.128 8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.137 18.360 10.398 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.708 18.051 9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.994 21.155 7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.642 19.440 7.298 1.00 0.00 H new ATOM 818 N GLY A 59 -6.504 16.949 6.092 1.00 0.00 N ATOM 819 CA GLY A 59 -5.876 16.715 4.805 1.00 0.00 C ATOM 820 C GLY A 59 -6.559 15.614 4.018 1.00 0.00 C ATOM 821 O GLY A 59 -6.730 14.500 4.515 1.00 0.00 O ATOM 0 H GLY A 59 -7.504 16.750 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.892 17.637 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.829 16.453 4.957 1.00 0.00 H new ATOM 825 N PHE A 60 -6.953 15.925 2.787 1.00 0.00 N ATOM 826 CA PHE A 60 -7.624 14.954 1.931 1.00 0.00 C ATOM 827 C PHE A 60 -6.832 13.651 1.861 1.00 0.00 C ATOM 828 O PHE A 60 -5.845 13.552 1.133 1.00 0.00 O ATOM 829 CB PHE A 60 -7.811 15.526 0.525 1.00 0.00 C ATOM 830 CG PHE A 60 -7.880 14.475 -0.546 1.00 0.00 C ATOM 831 CD1 PHE A 60 -8.822 13.462 -0.481 1.00 0.00 C ATOM 832 CD2 PHE A 60 -7.001 14.500 -1.617 1.00 0.00 C ATOM 833 CE1 PHE A 60 -8.888 12.493 -1.465 1.00 0.00 C ATOM 834 CE2 PHE A 60 -7.062 13.535 -2.604 1.00 0.00 C ATOM 835 CZ PHE A 60 -8.006 12.529 -2.527 1.00 0.00 C ATOM 0 H PHE A 60 -6.819 16.842 2.360 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.602 14.741 2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.726 16.118 0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.987 16.204 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.513 13.429 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.260 15.283 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.628 11.709 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.373 13.567 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.054 11.772 -3.296 1.00 0.00 H new ATOM 845 N ILE A 61 -7.273 12.657 2.624 1.00 0.00 N ATOM 846 CA ILE A 61 -6.606 11.361 2.649 1.00 0.00 C ATOM 847 C ILE A 61 -6.487 10.777 1.245 1.00 0.00 C ATOM 848 O ILE A 61 -7.486 10.604 0.545 1.00 0.00 O ATOM 849 CB ILE A 61 -7.356 10.359 3.547 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.127 10.694 5.022 1.00 0.00 C ATOM 851 CG2 ILE A 61 -6.906 8.937 3.245 1.00 0.00 C ATOM 852 CD1 ILE A 61 -8.126 10.041 5.952 1.00 0.00 C ATOM 0 H ILE A 61 -8.089 12.724 3.233 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.609 11.527 3.057 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.423 10.433 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.122 10.382 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.174 11.775 5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.445 8.241 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.115 8.703 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.836 8.847 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.903 10.322 6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.132 10.372 5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.063 8.958 5.851 1.00 0.00 H new ATOM 864 N THR A 62 -5.259 10.473 0.838 1.00 0.00 N ATOM 865 CA THR A 62 -5.008 9.907 -0.482 1.00 0.00 C ATOM 866 C THR A 62 -5.017 8.384 -0.438 1.00 0.00 C ATOM 867 O THR A 62 -5.621 7.732 -1.288 1.00 0.00 O ATOM 868 CB THR A 62 -3.659 10.386 -1.051 1.00 0.00 C ATOM 869 OG1 THR A 62 -2.584 9.890 -0.245 1.00 0.00 O ATOM 870 CG2 THR A 62 -3.602 11.905 -1.103 1.00 0.00 C ATOM 0 H THR A 62 -4.422 10.609 1.404 1.00 0.00 H new ATOM 0 HA THR A 62 -5.811 10.253 -1.132 1.00 0.00 H new ATOM 0 HB THR A 62 -3.560 10.000 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.730 10.197 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.640 12.219 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.404 12.278 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.721 12.308 -0.097 1.00 0.00 H new ATOM 878 N GLY A 63 -4.342 7.821 0.560 1.00 0.00 N ATOM 879 CA GLY A 63 -4.286 6.377 0.696 1.00 0.00 C ATOM 880 C GLY A 63 -3.944 5.941 2.107 1.00 0.00 C ATOM 881 O GLY A 63 -4.018 6.734 3.045 1.00 0.00 O ATOM 0 H GLY A 63 -3.833 8.339 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.248 5.951 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.543 5.979 0.006 1.00 0.00 H new ATOM 885 N TYR A 64 -3.569 4.675 2.258 1.00 0.00 N ATOM 886 CA TYR A 64 -3.218 4.133 3.566 1.00 0.00 C ATOM 887 C TYR A 64 -1.991 3.231 3.470 1.00 0.00 C ATOM 888 O TYR A 64 -1.797 2.530 2.477 1.00 0.00 O ATOM 889 CB TYR A 64 -4.395 3.351 4.150 1.00 0.00 C ATOM 890 CG TYR A 64 -5.580 4.219 4.510 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.444 4.691 3.530 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.835 4.566 5.831 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.527 5.485 3.855 1.00 0.00 C ATOM 894 CE2 TYR A 64 -6.916 5.359 6.166 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.759 5.816 5.174 1.00 0.00 C ATOM 896 OH TYR A 64 -8.837 6.606 5.502 1.00 0.00 O ATOM 0 H TYR A 64 -3.500 4.006 1.492 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.982 4.968 4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.713 2.597 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.061 2.819 5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.266 4.433 2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.177 4.210 6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.188 5.845 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.100 5.619 7.198 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.661 6.188 5.175 1.00 0.00 H new ATOM 906 N LYS A 65 -1.165 3.255 4.511 1.00 0.00 N ATOM 907 CA LYS A 65 0.043 2.439 4.548 1.00 0.00 C ATOM 908 C LYS A 65 -0.199 1.143 5.316 1.00 0.00 C ATOM 909 O LYS A 65 -0.887 1.135 6.337 1.00 0.00 O ATOM 910 CB LYS A 65 1.190 3.219 5.193 1.00 0.00 C ATOM 911 CG LYS A 65 2.562 2.826 4.672 1.00 0.00 C ATOM 912 CD LYS A 65 2.968 3.672 3.477 1.00 0.00 C ATOM 913 CE LYS A 65 4.476 3.866 3.418 1.00 0.00 C ATOM 914 NZ LYS A 65 4.906 5.089 4.151 1.00 0.00 N ATOM 0 H LYS A 65 -1.310 3.831 5.340 1.00 0.00 H new ATOM 0 HA LYS A 65 0.313 2.188 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.036 4.284 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.162 3.064 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.300 2.939 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.557 1.773 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.625 3.195 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.477 4.643 3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.972 2.994 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.793 3.936 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.939 5.186 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.453 5.924 3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.626 5.012 5.150 1.00 0.00 H new ATOM 928 N ILE A 66 0.371 0.051 4.819 1.00 0.00 N ATOM 929 CA ILE A 66 0.218 -1.249 5.460 1.00 0.00 C ATOM 930 C ILE A 66 1.541 -2.007 5.487 1.00 0.00 C ATOM 931 O ILE A 66 2.002 -2.509 4.461 1.00 0.00 O ATOM 932 CB ILE A 66 -0.839 -2.110 4.744 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.116 -1.300 4.512 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.140 -3.362 5.554 1.00 0.00 C ATOM 935 CD1 ILE A 66 -2.982 -1.842 3.397 1.00 0.00 C ATOM 0 H ILE A 66 0.943 0.040 3.975 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.112 -1.060 6.482 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.443 -2.414 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.696 -1.280 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.846 -0.269 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.889 -3.960 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.228 -3.946 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.519 -3.078 6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.869 -1.218 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.419 -1.836 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.283 -2.863 3.633 1.00 0.00 H new ATOM 947 N ARG A 67 2.147 -2.088 6.667 1.00 0.00 N ATOM 948 CA ARG A 67 3.416 -2.786 6.828 1.00 0.00 C ATOM 949 C ARG A 67 3.214 -4.132 7.519 1.00 0.00 C ATOM 950 O ARG A 67 2.365 -4.267 8.401 1.00 0.00 O ATOM 951 CB ARG A 67 4.395 -1.930 7.634 1.00 0.00 C ATOM 952 CG ARG A 67 4.820 -0.656 6.921 1.00 0.00 C ATOM 953 CD ARG A 67 6.040 -0.031 7.579 1.00 0.00 C ATOM 954 NE ARG A 67 6.364 1.272 7.004 1.00 0.00 N ATOM 955 CZ ARG A 67 7.088 1.430 5.901 1.00 0.00 C ATOM 956 NH1 ARG A 67 7.562 0.371 5.259 1.00 0.00 N ATOM 957 NH2 ARG A 67 7.340 2.648 5.440 1.00 0.00 N ATOM 0 H ARG A 67 1.779 -1.679 7.526 1.00 0.00 H new ATOM 0 HA ARG A 67 3.831 -2.965 5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.935 -1.667 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.281 -2.523 7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.042 -0.878 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.996 0.058 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.859 0.079 8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.894 -0.699 7.468 1.00 0.00 H new ATOM 0 HE ARG A 67 6.015 2.107 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.371 -0.567 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.118 0.494 4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.978 3.465 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.896 2.768 4.593 1.00 0.00 H new ATOM 971 N HIS A 68 3.998 -5.124 7.111 1.00 0.00 N ATOM 972 CA HIS A 68 3.905 -6.460 7.690 1.00 0.00 C ATOM 973 C HIS A 68 5.267 -6.931 8.192 1.00 0.00 C ATOM 974 O HIS A 68 6.305 -6.418 7.773 1.00 0.00 O ATOM 975 CB HIS A 68 3.358 -7.449 6.660 1.00 0.00 C ATOM 976 CG HIS A 68 4.336 -7.788 5.578 1.00 0.00 C ATOM 977 ND1 HIS A 68 4.546 -6.987 4.475 1.00 0.00 N ATOM 978 CD2 HIS A 68 5.165 -8.848 5.434 1.00 0.00 C ATOM 979 CE1 HIS A 68 5.461 -7.541 3.699 1.00 0.00 C ATOM 980 NE2 HIS A 68 5.853 -8.671 4.259 1.00 0.00 N ATOM 0 H HIS A 68 4.705 -5.029 6.382 1.00 0.00 H new ATOM 0 HA HIS A 68 3.221 -6.415 8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.061 -8.365 7.170 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.459 -7.030 6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.267 -9.679 6.117 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.826 -7.138 2.766 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.553 -9.309 3.880 1.00 0.00 H new ATOM 989 N ARG A 69 5.255 -7.908 9.092 1.00 0.00 N ATOM 990 CA ARG A 69 6.489 -8.446 9.652 1.00 0.00 C ATOM 991 C ARG A 69 6.224 -9.753 10.395 1.00 0.00 C ATOM 992 O ARG A 69 5.112 -10.000 10.862 1.00 0.00 O ATOM 993 CB ARG A 69 7.130 -7.430 10.598 1.00 0.00 C ATOM 994 CG ARG A 69 6.440 -7.336 11.950 1.00 0.00 C ATOM 995 CD ARG A 69 7.242 -6.489 12.926 1.00 0.00 C ATOM 996 NE ARG A 69 8.474 -7.153 13.342 1.00 0.00 N ATOM 997 CZ ARG A 69 9.286 -6.674 14.279 1.00 0.00 C ATOM 998 NH1 ARG A 69 8.997 -5.536 14.893 1.00 0.00 N ATOM 999 NH2 ARG A 69 10.390 -7.336 14.602 1.00 0.00 N ATOM 0 H ARG A 69 4.405 -8.343 9.449 1.00 0.00 H new ATOM 0 HA ARG A 69 7.174 -8.648 8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.175 -7.698 10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.119 -6.448 10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.447 -6.906 11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.304 -8.336 12.361 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.484 -5.533 12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.633 -6.272 13.804 1.00 0.00 H new ATOM 0 HE ARG A 69 8.725 -8.032 12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.149 -5.025 14.647 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.622 -5.171 15.612 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.615 -8.212 14.131 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.013 -6.968 15.321 1.00 0.00 H new ATOM 1013 N LYS A 70 7.253 -10.586 10.501 1.00 0.00 N ATOM 1014 CA LYS A 70 7.134 -11.867 11.187 1.00 0.00 C ATOM 1015 C LYS A 70 7.856 -11.834 12.530 1.00 0.00 C ATOM 1016 O LYS A 70 8.941 -11.263 12.650 1.00 0.00 O ATOM 1017 CB LYS A 70 7.703 -12.990 10.317 1.00 0.00 C ATOM 1018 CG LYS A 70 7.614 -14.363 10.961 1.00 0.00 C ATOM 1019 CD LYS A 70 6.290 -15.040 10.650 1.00 0.00 C ATOM 1020 CE LYS A 70 6.372 -15.866 9.376 1.00 0.00 C ATOM 1021 NZ LYS A 70 5.370 -16.968 9.363 1.00 0.00 N ATOM 0 H LYS A 70 8.180 -10.397 10.120 1.00 0.00 H new ATOM 0 HA LYS A 70 6.076 -12.057 11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.169 -13.008 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.747 -12.770 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.435 -14.986 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.730 -14.268 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.004 -15.682 11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.510 -14.286 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.212 -15.219 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.374 -16.285 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.597 -17.634 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.392 -17.468 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.421 -16.572 9.208 1.00 0.00 H new ATOM 1133 N MET A 77 8.353 -4.113 5.592 1.00 0.00 N ATOM 1134 CA MET A 77 7.956 -3.742 4.238 1.00 0.00 C ATOM 1135 C MET A 77 6.650 -2.954 4.252 1.00 0.00 C ATOM 1136 O MET A 77 6.014 -2.809 5.295 1.00 0.00 O ATOM 1137 CB MET A 77 7.803 -4.991 3.368 1.00 0.00 C ATOM 1138 CG MET A 77 9.118 -5.701 3.088 1.00 0.00 C ATOM 1139 SD MET A 77 8.891 -7.264 2.218 1.00 0.00 S ATOM 1140 CE MET A 77 8.956 -6.715 0.514 1.00 0.00 C ATOM 0 HA MET A 77 8.737 -3.109 3.817 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.122 -5.685 3.860 1.00 0.00 H new ATOM 0 HB3 MET A 77 7.342 -4.710 2.421 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.759 -5.049 2.495 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.635 -5.885 4.030 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.830 -7.571 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.158 -5.995 0.333 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.920 -6.244 0.320 1.00 0.00 H new ATOM 1150 N GLU A 78 6.257 -2.448 3.087 1.00 0.00 N ATOM 1151 CA GLU A 78 5.027 -1.674 2.967 1.00 0.00 C ATOM 1152 C GLU A 78 4.335 -1.955 1.637 1.00 0.00 C ATOM 1153 O GLU A 78 4.939 -2.499 0.711 1.00 0.00 O ATOM 1154 CB GLU A 78 5.325 -0.178 3.093 1.00 0.00 C ATOM 1155 CG GLU A 78 6.612 0.246 2.407 1.00 0.00 C ATOM 1156 CD GLU A 78 6.406 0.598 0.946 1.00 0.00 C ATOM 1157 OE1 GLU A 78 5.991 1.742 0.665 1.00 0.00 O ATOM 1158 OE2 GLU A 78 6.658 -0.270 0.085 1.00 0.00 O ATOM 0 H GLU A 78 6.772 -2.560 2.214 1.00 0.00 H new ATOM 0 HA GLU A 78 4.359 -1.974 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.494 0.386 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.383 0.085 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.031 1.107 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.342 -0.559 2.483 1.00 0.00 H new ATOM 1165 N THR A 79 3.062 -1.582 1.548 1.00 0.00 N ATOM 1166 CA THR A 79 2.286 -1.795 0.332 1.00 0.00 C ATOM 1167 C THR A 79 1.070 -0.876 0.289 1.00 0.00 C ATOM 1168 O THR A 79 0.117 -1.055 1.047 1.00 0.00 O ATOM 1169 CB THR A 79 1.816 -3.257 0.215 1.00 0.00 C ATOM 1170 OG1 THR A 79 2.947 -4.132 0.154 1.00 0.00 O ATOM 1171 CG2 THR A 79 0.951 -3.450 -1.021 1.00 0.00 C ATOM 0 H THR A 79 2.546 -1.131 2.304 1.00 0.00 H new ATOM 0 HA THR A 79 2.942 -1.564 -0.507 1.00 0.00 H new ATOM 0 HB THR A 79 1.221 -3.496 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.754 -3.610 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.631 -4.490 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.075 -2.804 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.526 -3.194 -1.911 1.00 0.00 H new ATOM 1179 N LEU A 80 1.109 0.107 -0.604 1.00 0.00 N ATOM 1180 CA LEU A 80 0.009 1.054 -0.748 1.00 0.00 C ATOM 1181 C LEU A 80 -1.064 0.504 -1.682 1.00 0.00 C ATOM 1182 O LEU A 80 -0.757 -0.061 -2.731 1.00 0.00 O ATOM 1183 CB LEU A 80 0.527 2.391 -1.279 1.00 0.00 C ATOM 1184 CG LEU A 80 0.875 3.443 -0.225 1.00 0.00 C ATOM 1185 CD1 LEU A 80 1.498 4.667 -0.878 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.363 3.831 0.570 1.00 0.00 C ATOM 0 H LEU A 80 1.891 0.269 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.436 1.209 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.416 2.200 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.226 2.810 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 80 1.604 3.014 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.739 5.405 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.409 4.376 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.793 5.099 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.097 4.580 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.115 4.241 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.766 2.950 1.069 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.324 0.676 -1.293 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.443 0.198 -2.097 1.00 0.00 C ATOM 1200 C GLU A 81 -4.535 1.258 -2.195 1.00 0.00 C ATOM 1201 O GLU A 81 -5.332 1.452 -1.277 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.017 -1.088 -1.499 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.281 -1.570 -2.191 1.00 0.00 C ATOM 1204 CD GLU A 81 -4.989 -2.467 -3.379 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -4.183 -2.062 -4.243 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -5.566 -3.572 -3.445 1.00 0.00 O ATOM 0 H GLU A 81 -2.595 1.142 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.073 -0.010 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.262 -1.872 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.231 -0.924 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.899 -2.111 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.860 -0.708 -2.524 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.574 1.963 -3.336 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.564 3.017 -3.582 1.00 0.00 C ATOM 1215 C PRO A 82 -6.971 2.459 -3.763 1.00 0.00 C ATOM 1216 O PRO A 82 -7.957 3.115 -3.430 1.00 0.00 O ATOM 1217 CB PRO A 82 -5.075 3.667 -4.878 1.00 0.00 C ATOM 1218 CG PRO A 82 -4.292 2.601 -5.565 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.656 1.786 -4.473 1.00 0.00 C ATOM 0 HA PRO A 82 -5.639 3.710 -2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.911 4.003 -5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.458 4.542 -4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.938 1.982 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.536 3.033 -6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.564 0.737 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.653 2.142 -4.239 1.00 0.00 H new ATOM 1227 N ASN A 83 -7.057 1.243 -4.294 1.00 0.00 N ATOM 1228 CA ASN A 83 -8.345 0.597 -4.520 1.00 0.00 C ATOM 1229 C ASN A 83 -9.342 0.974 -3.428 1.00 0.00 C ATOM 1230 O ASN A 83 -10.290 1.720 -3.671 1.00 0.00 O ATOM 1231 CB ASN A 83 -8.175 -0.923 -4.568 1.00 0.00 C ATOM 1232 CG ASN A 83 -7.736 -1.413 -5.934 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -8.547 -1.539 -6.851 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -6.445 -1.692 -6.075 1.00 0.00 N ATOM 0 H ASN A 83 -6.250 0.686 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.734 0.943 -5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.440 -1.227 -3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.118 -1.400 -4.300 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.090 -2.026 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.808 -1.573 -5.287 1.00 0.00 H new ATOM 1241 N ASN A 84 -9.120 0.454 -2.226 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.998 0.736 -1.097 1.00 0.00 C ATOM 1243 C ASN A 84 -9.243 0.616 0.224 1.00 0.00 C ATOM 1244 O ASN A 84 -8.036 0.368 0.241 1.00 0.00 O ATOM 1245 CB ASN A 84 -11.193 -0.219 -1.102 1.00 0.00 C ATOM 1246 CG ASN A 84 -12.200 0.121 -2.184 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -13.064 0.978 -1.996 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -12.094 -0.552 -3.324 1.00 0.00 N ATOM 0 H ASN A 84 -8.339 -0.165 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.359 1.760 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.839 -1.239 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.684 -0.187 -0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.744 -0.367 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.362 -1.254 -3.436 1.00 0.00 H new ATOM 1255 N LEU A 85 -9.961 0.792 1.327 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.359 0.703 2.654 1.00 0.00 C ATOM 1257 C LEU A 85 -9.301 -0.745 3.129 1.00 0.00 C ATOM 1258 O LEU A 85 -9.393 -1.021 4.325 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.152 1.548 3.652 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.752 2.844 3.108 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.023 3.202 3.861 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.740 3.978 3.196 1.00 0.00 C ATOM 0 H LEU A 85 -10.960 0.997 1.330 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.341 1.086 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.961 0.937 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.497 1.797 4.487 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.007 2.691 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.435 4.128 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.752 2.400 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.794 3.336 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.184 4.893 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.454 4.130 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.857 3.724 2.610 1.00 0.00 H new ATOM 1274 N TRP A 86 -9.146 -1.666 2.184 1.00 0.00 N ATOM 1275 CA TRP A 86 -9.073 -3.087 2.507 1.00 0.00 C ATOM 1276 C TRP A 86 -8.054 -3.795 1.621 1.00 0.00 C ATOM 1277 O TRP A 86 -7.898 -3.458 0.447 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.447 -3.739 2.346 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.924 -3.776 0.925 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.702 -2.846 0.297 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.654 -4.797 -0.042 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.933 -3.227 -1.003 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.300 -4.420 -1.236 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.929 -5.991 -0.017 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -11.242 -5.195 -2.391 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.872 -6.760 -1.164 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.525 -6.360 -2.338 1.00 0.00 C ATOM 0 H TRP A 86 -9.069 -1.455 1.189 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.753 -3.182 3.545 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.406 -4.757 2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.172 -3.195 2.951 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.080 -1.944 0.755 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.486 -2.706 -1.684 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -9.422 -6.307 0.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.745 -4.888 -3.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -9.315 -7.685 -1.156 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.461 -6.983 -3.218 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.362 -4.776 2.190 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.356 -5.529 1.451 1.00 0.00 C ATOM 1300 C TYR A 87 -6.438 -7.017 1.781 1.00 0.00 C ATOM 1301 O TYR A 87 -6.343 -7.413 2.944 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.956 -5.001 1.770 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.938 -5.294 0.692 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.640 -6.601 0.327 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -3.273 -4.264 0.038 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.710 -6.873 -0.658 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -2.343 -4.527 -0.948 1.00 0.00 C ATOM 1308 CZ TYR A 87 -2.064 -5.833 -1.292 1.00 0.00 C ATOM 1309 OH TYR A 87 -1.137 -6.099 -2.274 1.00 0.00 O ATOM 0 H TYR A 87 -7.479 -5.068 3.160 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.552 -5.400 0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -5.010 -3.923 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.616 -5.440 2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.144 -7.418 0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.487 -3.240 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.490 -7.895 -0.930 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.837 -3.714 -1.447 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.776 -5.256 -2.620 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.614 -7.836 0.751 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.708 -9.281 0.929 1.00 0.00 C ATOM 1321 C LEU A 88 -5.437 -9.973 0.449 1.00 0.00 C ATOM 1322 O LEU A 88 -5.202 -10.099 -0.754 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.919 -9.830 0.172 1.00 0.00 C ATOM 1324 CG LEU A 88 -8.370 -11.239 0.560 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -7.190 -12.198 0.554 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -9.043 -11.226 1.925 1.00 0.00 C ATOM 0 H LEU A 88 -6.695 -7.525 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.830 -9.484 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.756 -9.148 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.690 -9.824 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.095 -11.584 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.530 -13.195 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.752 -12.229 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.441 -11.858 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.358 -12.237 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.340 -10.861 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.914 -10.571 1.895 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.619 -10.421 1.395 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.371 -11.102 1.069 1.00 0.00 C ATOM 1340 C PHE A 89 -3.599 -12.601 0.895 1.00 0.00 C ATOM 1341 O PHE A 89 -4.494 -13.181 1.510 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.331 -10.857 2.163 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.744 -9.474 2.134 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.768 -9.141 1.208 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.168 -8.509 3.032 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -0.227 -7.870 1.178 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -1.630 -7.236 3.007 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.658 -6.916 2.080 1.00 0.00 C ATOM 0 H PHE A 89 -4.798 -10.325 2.395 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.000 -10.697 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.792 -11.027 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.528 -11.586 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.426 -9.883 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.927 -8.754 3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.532 -7.622 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.970 -6.492 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.236 -5.922 2.060 1.00 0.00 H new ATOM 1358 N THR A 90 -2.783 -13.223 0.050 1.00 0.00 N ATOM 1359 CA THR A 90 -2.895 -14.653 -0.208 1.00 0.00 C ATOM 1360 C THR A 90 -1.521 -15.289 -0.389 1.00 0.00 C ATOM 1361 O THR A 90 -0.652 -14.731 -1.057 1.00 0.00 O ATOM 1362 CB THR A 90 -3.746 -14.933 -1.461 1.00 0.00 C ATOM 1363 OG1 THR A 90 -3.231 -14.199 -2.577 1.00 0.00 O ATOM 1364 CG2 THR A 90 -5.200 -14.551 -1.224 1.00 0.00 C ATOM 0 H THR A 90 -2.037 -12.758 -0.468 1.00 0.00 H new ATOM 0 HA THR A 90 -3.385 -15.093 0.661 1.00 0.00 H new ATOM 0 HB THR A 90 -3.697 -16.001 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.776 -14.384 -3.370 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.782 -14.758 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.598 -15.132 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.263 -13.489 -0.987 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.333 -16.460 0.212 1.00 0.00 N ATOM 1373 CA GLY A 91 -0.062 -17.152 0.104 1.00 0.00 C ATOM 1374 C GLY A 91 0.788 -17.000 1.350 1.00 0.00 C ATOM 1375 O GLY A 91 1.916 -16.509 1.284 1.00 0.00 O ATOM 0 H GLY A 91 -2.037 -16.941 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.243 -18.211 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.486 -16.766 -0.756 1.00 0.00 H new ATOM 1379 N LEU A 92 0.248 -17.419 2.488 1.00 0.00 N ATOM 1380 CA LEU A 92 0.964 -17.326 3.756 1.00 0.00 C ATOM 1381 C LEU A 92 1.086 -18.696 4.415 1.00 0.00 C ATOM 1382 O LEU A 92 0.460 -19.662 3.980 1.00 0.00 O ATOM 1383 CB LEU A 92 0.249 -16.355 4.698 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.134 -15.001 4.101 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.191 -14.320 4.957 1.00 0.00 C ATOM 1386 CD2 LEU A 92 1.094 -14.113 3.961 1.00 0.00 C ATOM 0 H LEU A 92 -0.684 -17.827 2.560 1.00 0.00 H new ATOM 0 HA LEU A 92 1.967 -16.952 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.657 -16.837 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.890 -16.180 5.562 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.552 -15.169 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.451 -13.358 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.080 -14.949 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.800 -14.165 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.802 -13.153 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.541 -13.953 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.819 -14.596 3.306 1.00 0.00 H new ATOM 1398 N GLU A 93 1.893 -18.770 5.469 1.00 0.00 N ATOM 1399 CA GLU A 93 2.095 -20.022 6.189 1.00 0.00 C ATOM 1400 C GLU A 93 1.038 -20.201 7.275 1.00 0.00 C ATOM 1401 O GLU A 93 0.467 -19.229 7.768 1.00 0.00 O ATOM 1402 CB GLU A 93 3.492 -20.060 6.810 1.00 0.00 C ATOM 1403 CG GLU A 93 4.595 -20.366 5.810 1.00 0.00 C ATOM 1404 CD GLU A 93 5.940 -19.810 6.236 1.00 0.00 C ATOM 1405 OE1 GLU A 93 6.652 -20.497 6.997 1.00 0.00 O ATOM 1406 OE2 GLU A 93 6.279 -18.687 5.807 1.00 0.00 O ATOM 0 H GLU A 93 2.417 -17.979 5.843 1.00 0.00 H new ATOM 0 HA GLU A 93 2.001 -20.841 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.697 -19.099 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.509 -20.812 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.676 -21.446 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.325 -19.950 4.839 1.00 0.00 H new ATOM 1413 N LYS A 94 0.783 -21.452 7.643 1.00 0.00 N ATOM 1414 CA LYS A 94 -0.204 -21.762 8.671 1.00 0.00 C ATOM 1415 C LYS A 94 0.428 -21.729 10.059 1.00 0.00 C ATOM 1416 O LYS A 94 1.645 -21.612 10.195 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.825 -23.136 8.414 1.00 0.00 C ATOM 1418 CG LYS A 94 0.178 -24.276 8.465 1.00 0.00 C ATOM 1419 CD LYS A 94 -0.340 -25.508 7.742 1.00 0.00 C ATOM 1420 CE LYS A 94 0.799 -26.410 7.291 1.00 0.00 C ATOM 1421 NZ LYS A 94 0.331 -27.464 6.349 1.00 0.00 N ATOM 0 H LYS A 94 1.247 -22.268 7.244 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.986 -21.004 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.606 -23.317 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.307 -23.131 7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.117 -23.956 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.393 -24.526 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.007 -26.064 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.928 -25.203 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.570 -25.808 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.258 -26.879 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.136 -28.058 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.386 -28.054 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.084 -27.017 5.507 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.408 -21.834 11.088 1.00 0.00 N ATOM 1436 CA GLY A 95 0.088 -21.815 12.452 1.00 0.00 C ATOM 1437 C GLY A 95 1.260 -20.871 12.630 1.00 0.00 C ATOM 1438 O GLY A 95 2.161 -21.132 13.426 1.00 0.00 O ATOM 0 H GLY A 95 -1.420 -21.932 11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.718 -21.520 13.124 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.390 -22.822 12.740 1.00 0.00 H new ATOM 1442 N SER A 96 1.249 -19.770 11.885 1.00 0.00 N ATOM 1443 CA SER A 96 2.322 -18.785 11.961 1.00 0.00 C ATOM 1444 C SER A 96 1.814 -17.473 12.551 1.00 0.00 C ATOM 1445 O SER A 96 0.608 -17.256 12.663 1.00 0.00 O ATOM 1446 CB SER A 96 2.914 -18.538 10.572 1.00 0.00 C ATOM 1447 OG SER A 96 1.892 -18.348 9.608 1.00 0.00 O ATOM 0 H SER A 96 0.509 -19.538 11.222 1.00 0.00 H new ATOM 0 HA SER A 96 3.100 -19.180 12.615 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.560 -17.660 10.599 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.538 -19.384 10.283 1.00 0.00 H new ATOM 0 HG SER A 96 1.416 -19.193 9.465 1.00 0.00 H new ATOM 1453 N GLN A 97 2.745 -16.601 12.926 1.00 0.00 N ATOM 1454 CA GLN A 97 2.393 -15.310 13.505 1.00 0.00 C ATOM 1455 C GLN A 97 2.717 -14.174 12.541 1.00 0.00 C ATOM 1456 O GLN A 97 3.692 -14.241 11.792 1.00 0.00 O ATOM 1457 CB GLN A 97 3.134 -15.101 14.827 1.00 0.00 C ATOM 1458 CG GLN A 97 2.637 -13.904 15.621 1.00 0.00 C ATOM 1459 CD GLN A 97 3.317 -13.775 16.969 1.00 0.00 C ATOM 1460 OE1 GLN A 97 4.318 -14.440 17.239 1.00 0.00 O ATOM 1461 NE2 GLN A 97 2.777 -12.915 17.825 1.00 0.00 N ATOM 0 H GLN A 97 3.748 -16.765 12.839 1.00 0.00 H new ATOM 0 HA GLN A 97 1.320 -15.306 13.694 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.032 -15.999 15.437 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.197 -14.974 14.622 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.806 -12.995 15.044 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.561 -13.992 15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.947 -12.384 17.560 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.192 -12.785 18.748 1.00 0.00 H new ATOM 1470 N TYR A 98 1.894 -13.131 12.565 1.00 0.00 N ATOM 1471 CA TYR A 98 2.092 -11.981 11.691 1.00 0.00 C ATOM 1472 C TYR A 98 1.583 -10.703 12.349 1.00 0.00 C ATOM 1473 O TYR A 98 0.757 -10.747 13.261 1.00 0.00 O ATOM 1474 CB TYR A 98 1.378 -12.200 10.356 1.00 0.00 C ATOM 1475 CG TYR A 98 2.143 -13.085 9.398 1.00 0.00 C ATOM 1476 CD1 TYR A 98 3.125 -12.559 8.568 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.884 -14.449 9.324 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.826 -13.364 7.691 1.00 0.00 C ATOM 1479 CE2 TYR A 98 2.581 -15.261 8.451 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.550 -14.714 7.636 1.00 0.00 C ATOM 1481 OH TYR A 98 4.247 -15.520 6.765 1.00 0.00 O ATOM 0 H TYR A 98 1.084 -13.059 13.180 1.00 0.00 H new ATOM 0 HA TYR A 98 3.162 -11.874 11.510 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.400 -12.643 10.545 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.204 -11.233 9.884 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.344 -11.502 8.609 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.125 -14.881 9.960 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.586 -12.939 7.052 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.368 -16.319 8.407 1.00 0.00 H new ATOM 0 HH TYR A 98 3.932 -16.444 6.851 1.00 0.00 H new ATOM 1491 N SER A 99 2.082 -9.564 11.879 1.00 0.00 N ATOM 1492 CA SER A 99 1.681 -8.272 12.423 1.00 0.00 C ATOM 1493 C SER A 99 1.440 -7.263 11.305 1.00 0.00 C ATOM 1494 O SER A 99 2.207 -7.187 10.345 1.00 0.00 O ATOM 1495 CB SER A 99 2.751 -7.743 13.380 1.00 0.00 C ATOM 1496 OG SER A 99 2.922 -8.613 14.486 1.00 0.00 O ATOM 0 H SER A 99 2.764 -9.510 11.123 1.00 0.00 H new ATOM 0 HA SER A 99 0.749 -8.410 12.971 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.697 -7.635 12.849 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.469 -6.751 13.734 1.00 0.00 H new ATOM 0 HG SER A 99 2.125 -8.580 15.055 1.00 0.00 H new ATOM 1502 N PHE A 100 0.367 -6.489 11.436 1.00 0.00 N ATOM 1503 CA PHE A 100 0.023 -5.484 10.437 1.00 0.00 C ATOM 1504 C PHE A 100 -0.286 -4.144 11.097 1.00 0.00 C ATOM 1505 O PHE A 100 -0.545 -4.077 12.298 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.179 -5.947 9.611 1.00 0.00 C ATOM 1507 CG PHE A 100 -0.973 -7.279 8.947 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -0.928 -8.442 9.697 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -0.824 -7.366 7.572 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -0.738 -9.669 9.089 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -0.635 -8.590 6.958 1.00 0.00 C ATOM 1512 CZ PHE A 100 -0.591 -9.743 7.718 1.00 0.00 C ATOM 0 H PHE A 100 -0.279 -6.539 12.224 1.00 0.00 H new ATOM 0 HA PHE A 100 0.881 -5.355 9.778 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.054 -6.004 10.258 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.395 -5.199 8.848 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.043 -8.390 10.770 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.856 -6.468 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.705 -10.569 9.686 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.522 -8.645 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.442 -10.700 7.241 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.255 -3.078 10.303 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.530 -1.739 10.810 1.00 0.00 C ATOM 1524 C GLN A 101 -1.162 -0.867 9.730 1.00 0.00 C ATOM 1525 O GLN A 101 -1.140 -1.211 8.548 1.00 0.00 O ATOM 1526 CB GLN A 101 0.758 -1.089 11.318 1.00 0.00 C ATOM 1527 CG GLN A 101 1.694 -0.643 10.207 1.00 0.00 C ATOM 1528 CD GLN A 101 2.798 0.268 10.705 1.00 0.00 C ATOM 1529 OE1 GLN A 101 2.863 1.442 10.337 1.00 0.00 O ATOM 1530 NE2 GLN A 101 3.675 -0.268 11.546 1.00 0.00 N ATOM 0 H GLN A 101 -0.042 -3.116 9.306 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.234 -1.828 11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.502 -0.227 11.934 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.282 -1.795 11.962 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.137 -1.521 9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.119 -0.125 9.439 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.583 -1.245 11.824 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.440 0.297 11.914 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.725 0.264 10.144 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.362 1.186 9.212 1.00 0.00 C ATOM 1541 C VAL A 102 -1.995 2.631 9.531 1.00 0.00 C ATOM 1542 O VAL A 102 -2.042 3.053 10.687 1.00 0.00 O ATOM 1543 CB VAL A 102 -3.895 1.039 9.238 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.541 2.001 8.252 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.298 -0.396 8.936 1.00 0.00 C ATOM 0 H VAL A 102 -1.753 0.563 11.119 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.997 0.933 8.217 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.249 1.289 10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.624 1.883 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.280 3.025 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.183 1.785 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.384 -0.481 8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.933 -0.676 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.866 -1.060 9.685 1.00 0.00 H new ATOM 1555 N SER A 103 -1.631 3.385 8.499 1.00 0.00 N ATOM 1556 CA SER A 103 -1.252 4.783 8.670 1.00 0.00 C ATOM 1557 C SER A 103 -2.028 5.677 7.708 1.00 0.00 C ATOM 1558 O SER A 103 -1.910 5.547 6.490 1.00 0.00 O ATOM 1559 CB SER A 103 0.251 4.957 8.447 1.00 0.00 C ATOM 1560 OG SER A 103 0.641 6.307 8.633 1.00 0.00 O ATOM 0 H SER A 103 -1.590 3.052 7.536 1.00 0.00 H new ATOM 0 HA SER A 103 -1.497 5.078 9.690 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.801 4.318 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.512 4.635 7.439 1.00 0.00 H new ATOM 0 HG SER A 103 0.872 6.454 9.574 1.00 0.00 H new ATOM 1566 N ALA A 104 -2.823 6.586 8.264 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.617 7.503 7.457 1.00 0.00 C ATOM 1568 C ALA A 104 -2.738 8.573 6.817 1.00 0.00 C ATOM 1569 O ALA A 104 -2.288 9.502 7.488 1.00 0.00 O ATOM 1570 CB ALA A 104 -4.704 8.147 8.305 1.00 0.00 C ATOM 0 H ALA A 104 -2.934 6.706 9.271 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.087 6.931 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.289 8.830 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.356 7.373 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.246 8.700 9.125 1.00 0.00 H new ATOM 1576 N MET A 105 -2.498 8.436 5.518 1.00 0.00 N ATOM 1577 CA MET A 105 -1.673 9.392 4.788 1.00 0.00 C ATOM 1578 C MET A 105 -2.515 10.555 4.273 1.00 0.00 C ATOM 1579 O MET A 105 -3.630 10.361 3.789 1.00 0.00 O ATOM 1580 CB MET A 105 -0.966 8.702 3.620 1.00 0.00 C ATOM 1581 CG MET A 105 0.369 8.082 3.997 1.00 0.00 C ATOM 1582 SD MET A 105 1.399 7.723 2.561 1.00 0.00 S ATOM 1583 CE MET A 105 0.932 6.027 2.225 1.00 0.00 C ATOM 0 H MET A 105 -2.863 7.672 4.949 1.00 0.00 H new ATOM 0 HA MET A 105 -0.924 9.785 5.475 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.618 7.925 3.220 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.808 9.428 2.822 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.904 8.759 4.663 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.193 7.161 4.553 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.799 5.476 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.566 5.562 3.140 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.147 6.009 1.469 1.00 0.00 H new ATOM 1593 N THR A 106 -1.974 11.764 4.381 1.00 0.00 N ATOM 1594 CA THR A 106 -2.676 12.959 3.927 1.00 0.00 C ATOM 1595 C THR A 106 -1.838 13.741 2.923 1.00 0.00 C ATOM 1596 O THR A 106 -0.740 13.323 2.556 1.00 0.00 O ATOM 1597 CB THR A 106 -3.036 13.881 5.108 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.858 14.197 5.858 1.00 0.00 O ATOM 1599 CG2 THR A 106 -4.061 13.221 6.017 1.00 0.00 C ATOM 0 H THR A 106 -1.052 11.942 4.779 1.00 0.00 H new ATOM 0 HA THR A 106 -3.594 12.623 3.445 1.00 0.00 H new ATOM 0 HB THR A 106 -3.468 14.798 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.094 14.785 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.299 13.891 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.967 13.008 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.652 12.290 6.411 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.363 14.880 2.481 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.661 15.723 1.520 1.00 0.00 C ATOM 1609 C VAL A 107 -0.268 16.085 2.021 1.00 0.00 C ATOM 1610 O VAL A 107 0.569 16.571 1.261 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.445 17.017 1.232 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -2.633 17.823 2.508 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -1.736 17.843 0.170 1.00 0.00 C ATOM 0 H VAL A 107 -3.272 15.240 2.773 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.573 15.148 0.598 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.431 16.747 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.189 18.734 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.187 17.229 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.658 18.085 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.303 18.754 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.737 18.104 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.659 17.264 -0.750 1.00 0.00 H new ATOM 1623 N ASN A 108 -0.026 15.846 3.306 1.00 0.00 N ATOM 1624 CA ASN A 108 1.267 16.148 3.909 1.00 0.00 C ATOM 1625 C ASN A 108 2.162 14.912 3.925 1.00 0.00 C ATOM 1626 O ASN A 108 3.144 14.835 3.189 1.00 0.00 O ATOM 1627 CB ASN A 108 1.078 16.673 5.334 1.00 0.00 C ATOM 1628 CG ASN A 108 2.288 17.439 5.832 1.00 0.00 C ATOM 1629 OD1 ASN A 108 3.088 16.920 6.611 1.00 0.00 O ATOM 1630 ND2 ASN A 108 2.427 18.682 5.385 1.00 0.00 N ATOM 0 H ASN A 108 -0.708 15.444 3.949 1.00 0.00 H new ATOM 0 HA ASN A 108 1.750 16.917 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.202 17.321 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 108 0.880 15.836 6.004 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.221 19.247 5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.740 19.072 4.740 1.00 0.00 H new ATOM 1637 N GLY A 109 1.813 13.946 4.770 1.00 0.00 N ATOM 1638 CA GLY A 109 2.594 12.727 4.865 1.00 0.00 C ATOM 1639 C GLY A 109 1.844 11.612 5.566 1.00 0.00 C ATOM 1640 O GLY A 109 0.626 11.488 5.426 1.00 0.00 O ATOM 0 H GLY A 109 1.004 13.986 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.874 12.399 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.519 12.933 5.403 1.00 0.00 H new ATOM 1644 N THR A 110 2.571 10.795 6.322 1.00 0.00 N ATOM 1645 CA THR A 110 1.967 9.682 7.044 1.00 0.00 C ATOM 1646 C THR A 110 1.619 10.079 8.474 1.00 0.00 C ATOM 1647 O THR A 110 2.334 10.858 9.104 1.00 0.00 O ATOM 1648 CB THR A 110 2.904 8.460 7.077 1.00 0.00 C ATOM 1649 OG1 THR A 110 4.270 8.887 7.032 1.00 0.00 O ATOM 1650 CG2 THR A 110 2.620 7.529 5.907 1.00 0.00 C ATOM 0 H THR A 110 3.579 10.883 6.450 1.00 0.00 H new ATOM 0 HA THR A 110 1.054 9.417 6.511 1.00 0.00 H new ATOM 0 HB THR A 110 2.724 7.918 8.005 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.859 8.104 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.294 6.673 5.951 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.588 7.182 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.774 8.064 4.970 1.00 0.00 H new ATOM 1658 N GLY A 111 0.516 9.538 8.982 1.00 0.00 N ATOM 1659 CA GLY A 111 0.093 9.848 10.336 1.00 0.00 C ATOM 1660 C GLY A 111 0.699 8.910 11.361 1.00 0.00 C ATOM 1661 O GLY A 111 1.624 8.151 11.071 1.00 0.00 O ATOM 0 H GLY A 111 -0.092 8.891 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.374 10.874 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.994 9.793 10.395 1.00 0.00 H new ATOM 1665 N PRO A 112 0.173 8.956 12.594 1.00 0.00 N ATOM 1666 CA PRO A 112 0.653 8.111 13.692 1.00 0.00 C ATOM 1667 C PRO A 112 0.298 6.642 13.490 1.00 0.00 C ATOM 1668 O PRO A 112 -0.859 6.281 13.277 1.00 0.00 O ATOM 1669 CB PRO A 112 -0.075 8.673 14.916 1.00 0.00 C ATOM 1670 CG PRO A 112 -1.307 9.306 14.368 1.00 0.00 C ATOM 1671 CD PRO A 112 -0.931 9.837 13.012 1.00 0.00 C ATOM 0 HA PRO A 112 1.739 8.132 13.778 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.319 7.884 15.628 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.542 9.400 15.444 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.118 8.581 14.292 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.656 10.108 15.018 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.768 9.790 12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.616 10.879 13.062 1.00 0.00 H new ATOM 1679 N PRO A 113 1.317 5.772 13.558 1.00 0.00 N ATOM 1680 CA PRO A 113 1.137 4.327 13.386 1.00 0.00 C ATOM 1681 C PRO A 113 0.389 3.693 14.554 1.00 0.00 C ATOM 1682 O PRO A 113 0.935 3.546 15.647 1.00 0.00 O ATOM 1683 CB PRO A 113 2.572 3.797 13.319 1.00 0.00 C ATOM 1684 CG PRO A 113 3.383 4.804 14.059 1.00 0.00 C ATOM 1685 CD PRO A 113 2.723 6.132 13.809 1.00 0.00 C ATOM 0 HA PRO A 113 0.539 4.092 12.505 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.652 2.811 13.777 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.910 3.698 12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.410 4.576 15.125 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.415 4.809 13.708 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.821 6.797 14.667 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.165 6.646 12.955 1.00 0.00 H new ATOM 1693 N SER A 114 -0.864 3.319 14.315 1.00 0.00 N ATOM 1694 CA SER A 114 -1.688 2.704 15.348 1.00 0.00 C ATOM 1695 C SER A 114 -0.947 1.552 16.020 1.00 0.00 C ATOM 1696 O SER A 114 0.098 1.110 15.544 1.00 0.00 O ATOM 1697 CB SER A 114 -3.002 2.199 14.749 1.00 0.00 C ATOM 1698 OG SER A 114 -3.697 1.372 15.667 1.00 0.00 O ATOM 0 H SER A 114 -1.330 3.431 13.415 1.00 0.00 H new ATOM 0 HA SER A 114 -1.907 3.461 16.101 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.629 3.047 14.472 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.798 1.641 13.835 1.00 0.00 H new ATOM 0 HG SER A 114 -4.534 1.064 15.261 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.496 1.071 17.131 1.00 0.00 N ATOM 1705 CA ASN A 115 -0.887 -0.030 17.870 1.00 0.00 C ATOM 1706 C ASN A 115 -0.537 -1.184 16.936 1.00 0.00 C ATOM 1707 O ASN A 115 -1.216 -1.414 15.935 1.00 0.00 O ATOM 1708 CB ASN A 115 -1.833 -0.517 18.969 1.00 0.00 C ATOM 1709 CG ASN A 115 -1.762 0.343 20.216 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -0.701 0.858 20.569 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -2.895 0.502 20.891 1.00 0.00 N ATOM 0 H ASN A 115 -2.361 1.426 17.539 1.00 0.00 H new ATOM 0 HA ASN A 115 0.033 0.335 18.327 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.855 -0.519 18.590 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.586 -1.547 19.227 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.908 1.070 21.738 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.752 0.057 20.562 1.00 0.00 H new ATOM 1718 N TRP A 116 0.526 -1.907 17.271 1.00 0.00 N ATOM 1719 CA TRP A 116 0.966 -3.038 16.462 1.00 0.00 C ATOM 1720 C TRP A 116 0.061 -4.246 16.678 1.00 0.00 C ATOM 1721 O TRP A 116 0.212 -4.981 17.654 1.00 0.00 O ATOM 1722 CB TRP A 116 2.412 -3.402 16.802 1.00 0.00 C ATOM 1723 CG TRP A 116 3.420 -2.678 15.962 1.00 0.00 C ATOM 1724 CD1 TRP A 116 4.181 -1.607 16.336 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.775 -2.972 14.607 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.987 -1.217 15.294 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.758 -2.039 14.222 1.00 0.00 C ATOM 1728 CE3 TRP A 116 3.361 -3.933 13.681 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 5.329 -2.040 12.952 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.928 -3.933 12.421 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.904 -2.993 12.066 1.00 0.00 C ATOM 0 H TRP A 116 1.099 -1.730 18.096 1.00 0.00 H new ATOM 0 HA TRP A 116 0.909 -2.747 15.413 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.598 -3.179 17.853 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.548 -4.476 16.675 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.153 -1.136 17.308 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.649 -0.441 15.315 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.611 -4.663 13.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 6.080 -1.315 12.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.613 -4.670 11.697 1.00 0.00 H new ATOM 0 HH2 TRP A 116 5.330 -3.021 11.074 1.00 0.00 H new ATOM 1742 N TYR A 117 -0.879 -4.446 15.761 1.00 0.00 N ATOM 1743 CA TYR A 117 -1.811 -5.564 15.852 1.00 0.00 C ATOM 1744 C TYR A 117 -1.175 -6.847 15.326 1.00 0.00 C ATOM 1745 O TYR A 117 -0.277 -6.810 14.484 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.088 -5.256 15.070 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.011 -4.288 15.774 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -4.956 -4.738 16.688 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -3.939 -2.923 15.525 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -5.802 -3.857 17.333 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -4.780 -2.034 16.167 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.710 -2.506 17.070 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.550 -1.624 17.710 1.00 0.00 O ATOM 0 H TYR A 117 -1.016 -3.848 14.946 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.063 -5.709 16.902 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -2.818 -4.845 14.097 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.624 -6.187 14.885 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.030 -5.795 16.898 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.213 -2.550 14.817 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -6.532 -4.224 18.040 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.710 -0.976 15.963 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.354 -0.711 17.413 1.00 0.00 H new ATOM 1763 N THR A 118 -1.648 -7.984 15.828 1.00 0.00 N ATOM 1764 CA THR A 118 -1.127 -9.279 15.410 1.00 0.00 C ATOM 1765 C THR A 118 -2.251 -10.293 15.235 1.00 0.00 C ATOM 1766 O THR A 118 -3.106 -10.442 16.107 1.00 0.00 O ATOM 1767 CB THR A 118 -0.108 -9.829 16.426 1.00 0.00 C ATOM 1768 OG1 THR A 118 1.023 -8.954 16.508 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.353 -11.224 16.030 1.00 0.00 C ATOM 0 H THR A 118 -2.391 -8.034 16.525 1.00 0.00 H new ATOM 0 HA THR A 118 -0.628 -9.125 14.453 1.00 0.00 H new ATOM 0 HB THR A 118 -0.595 -9.887 17.400 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.665 -9.310 17.157 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.072 -11.591 16.762 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.505 -11.895 15.996 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.823 -11.187 15.047 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.243 -10.989 14.103 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.261 -11.992 13.816 1.00 0.00 C ATOM 1779 C ALA A 119 -2.640 -13.376 13.657 1.00 0.00 C ATOM 1780 O ALA A 119 -1.696 -13.557 12.888 1.00 0.00 O ATOM 1781 CB ALA A 119 -4.037 -11.613 12.563 1.00 0.00 C ATOM 0 H ALA A 119 -1.543 -10.877 13.370 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.949 -12.026 14.660 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.794 -12.371 12.361 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.521 -10.648 12.713 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.353 -11.548 11.717 1.00 0.00 H new ATOM 1787 N GLU A 120 -3.175 -14.347 14.389 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.671 -15.714 14.330 1.00 0.00 C ATOM 1789 C GLU A 120 -3.468 -16.545 13.329 1.00 0.00 C ATOM 1790 O GLU A 120 -4.691 -16.650 13.426 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.732 -16.365 15.714 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.828 -15.701 16.739 1.00 0.00 C ATOM 1793 CD GLU A 120 -2.509 -14.555 17.462 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -3.437 -14.822 18.254 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -2.115 -13.392 17.236 1.00 0.00 O ATOM 0 H GLU A 120 -3.957 -14.213 15.030 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.633 -15.677 14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.760 -16.335 16.075 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.456 -17.416 15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.504 -16.444 17.468 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.932 -15.330 16.242 1.00 0.00 H new ATOM 1802 N THR A 121 -2.766 -17.135 12.366 1.00 0.00 N ATOM 1803 CA THR A 121 -3.407 -17.955 11.346 1.00 0.00 C ATOM 1804 C THR A 121 -3.888 -19.279 11.928 1.00 0.00 C ATOM 1805 O THR A 121 -3.187 -19.939 12.695 1.00 0.00 O ATOM 1806 CB THR A 121 -2.452 -18.240 10.172 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.247 -18.842 10.656 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.119 -16.959 9.422 1.00 0.00 C ATOM 0 H THR A 121 -1.753 -17.060 12.272 1.00 0.00 H new ATOM 0 HA THR A 121 -4.264 -17.390 10.978 1.00 0.00 H new ATOM 0 HB THR A 121 -2.950 -18.925 9.486 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.731 -19.194 9.901 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.443 -17.185 8.597 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.036 -16.518 9.030 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.639 -16.254 10.101 1.00 0.00 H new ATOM 1816 N PRO A 122 -5.113 -19.680 11.555 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.714 -20.931 12.028 1.00 0.00 C ATOM 1818 C PRO A 122 -5.027 -22.161 11.445 1.00 0.00 C ATOM 1819 O PRO A 122 -5.138 -22.437 10.251 1.00 0.00 O ATOM 1820 CB PRO A 122 -7.159 -20.840 11.531 1.00 0.00 C ATOM 1821 CG PRO A 122 -7.097 -19.935 10.350 1.00 0.00 C ATOM 1822 CD PRO A 122 -6.005 -18.944 10.644 1.00 0.00 C ATOM 0 HA PRO A 122 -5.626 -21.042 13.109 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.546 -21.822 11.258 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.818 -20.441 12.302 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.881 -20.495 9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -8.051 -19.430 10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.487 -18.636 9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.397 -18.040 11.109 1.00 0.00 H new ATOM 1830 N GLU A 123 -4.318 -22.896 12.296 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.613 -24.097 11.864 1.00 0.00 C ATOM 1832 C GLU A 123 -4.440 -24.875 10.844 1.00 0.00 C ATOM 1833 O GLU A 123 -3.896 -25.478 9.919 1.00 0.00 O ATOM 1834 CB GLU A 123 -3.295 -24.989 13.065 1.00 0.00 C ATOM 1835 CG GLU A 123 -2.008 -24.612 13.779 1.00 0.00 C ATOM 1836 CD GLU A 123 -1.738 -25.479 14.994 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -2.574 -25.475 15.922 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -0.692 -26.160 15.017 1.00 0.00 O ATOM 0 H GLU A 123 -4.217 -22.681 13.288 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.680 -23.790 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.122 -24.939 13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.225 -26.024 12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.173 -24.698 13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.061 -23.568 14.087 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.757 -24.857 11.020 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.659 -25.562 10.116 1.00 0.00 C ATOM 1847 C ASN A 124 -7.924 -24.746 9.866 1.00 0.00 C ATOM 1848 O ASN A 124 -8.389 -24.020 10.743 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.027 -26.930 10.694 1.00 0.00 C ATOM 1850 CG ASN A 124 -5.984 -27.987 10.385 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -5.843 -28.420 9.241 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -5.248 -28.408 11.406 1.00 0.00 N ATOM 0 H ASN A 124 -6.224 -24.362 11.780 1.00 0.00 H new ATOM 0 HA ASN A 124 -6.145 -25.703 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -7.146 -26.845 11.774 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.990 -27.245 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -4.531 -29.118 11.259 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -5.399 -28.021 12.338 1.00 0.00 H new