USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 641 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 34 TYR OH : rot 61:sc= 1.11 USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= 0 F(o=0.41,f=1.1) USER MOD Set 2.1: A 48 MET CE :methyl 179:sc= -0.125 (180deg=-0.0867) USER MOD Set 2.2: A 90 MET CE :methyl 166:sc= -0.324 (180deg=-0.85) USER MOD Set 3.1: A 79 ASN :FLIP amide:sc= 0.551 F(o=0.43,f=1.2) USER MOD Set 3.2: A 82 SER OG : rot 101:sc= 0.631 USER MOD Set 4.1: A 30 ASN : amide:sc= 0.519 K(o=1.3,f=-1.1) USER MOD Set 4.2: A 76 SER OG : rot -77:sc= 0.827 USER MOD Set 5.1: A 47 GLN :FLIP amide:sc= -0.109 F(o=-1.5!,f=-0.21) USER MOD Set 5.2: A 50 MET CE :methyl -178:sc= -0.104 (180deg=-0.0128) USER MOD Single : A 35 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-6.9!) USER MOD Single : A 38 GLN : amide:sc= 0.734 K(o=0.73,f=-7.8!) USER MOD Single : A 43 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.37) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0602) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0329 F(o=-0.57,f=-0.033) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0882 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 69 SER OG : rot 180:sc= 0.377 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 33:sc= 0.375 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.497 F(o=-1.6,f=-0.5) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 97 MET CE :methyl 164:sc= -0.0354 (180deg=-0.362) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.0245 (180deg=-0.286) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -178:sc= 2.21 (180deg=2.21) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.501 10.096 -29.063 1.00 0.00 N ATOM 345 CA GLU A 24 11.241 9.966 -29.778 1.00 0.00 C ATOM 346 C GLU A 24 10.969 11.178 -30.657 1.00 0.00 C ATOM 347 O GLU A 24 11.513 12.262 -30.450 1.00 0.00 O ATOM 348 CB GLU A 24 10.080 9.729 -28.812 1.00 0.00 C ATOM 349 CG GLU A 24 10.015 10.793 -27.712 1.00 0.00 C ATOM 350 CD GLU A 24 8.760 10.657 -26.852 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.647 11.444 -25.886 1.00 0.00 O ATOM 352 OE2 GLU A 24 7.918 9.780 -27.149 1.00 0.00 O ATOM 0 HA GLU A 24 11.327 9.095 -30.428 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.142 9.726 -29.368 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.184 8.744 -28.357 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.898 10.713 -27.078 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.037 11.784 -28.165 1.00 0.00 H new ATOM 359 N GLY A 25 10.103 10.963 -31.649 1.00 0.00 N ATOM 360 CA GLY A 25 9.672 11.970 -32.596 1.00 0.00 C ATOM 361 C GLY A 25 8.505 12.782 -32.048 1.00 0.00 C ATOM 362 O GLY A 25 8.316 12.861 -30.835 1.00 0.00 O ATOM 0 H GLY A 25 9.674 10.052 -31.813 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.504 12.635 -32.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.378 11.492 -33.530 1.00 0.00 H new ATOM 366 N PRO A 26 7.708 13.388 -32.940 1.00 0.00 N ATOM 367 CA PRO A 26 6.508 14.108 -32.563 1.00 0.00 C ATOM 368 C PRO A 26 5.492 13.118 -32.002 1.00 0.00 C ATOM 369 O PRO A 26 5.562 11.922 -32.282 1.00 0.00 O ATOM 370 CB PRO A 26 6.007 14.775 -33.842 1.00 0.00 C ATOM 371 CG PRO A 26 6.557 13.881 -34.953 1.00 0.00 C ATOM 372 CD PRO A 26 7.889 13.399 -34.379 1.00 0.00 C ATOM 0 HA PRO A 26 6.684 14.857 -31.791 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.918 14.824 -33.869 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.374 15.797 -33.931 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.887 13.049 -35.171 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.694 14.432 -35.884 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.140 12.406 -34.751 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.704 14.063 -34.667 1.00 0.00 H new ATOM 380 N GLU A 27 4.536 13.607 -31.212 1.00 0.00 N ATOM 381 CA GLU A 27 3.555 12.730 -30.595 1.00 0.00 C ATOM 382 C GLU A 27 2.713 12.055 -31.674 1.00 0.00 C ATOM 383 O GLU A 27 2.182 12.724 -32.562 1.00 0.00 O ATOM 384 CB GLU A 27 2.696 13.523 -29.606 1.00 0.00 C ATOM 385 CG GLU A 27 1.667 12.638 -28.895 1.00 0.00 C ATOM 386 CD GLU A 27 2.302 11.646 -27.921 1.00 0.00 C ATOM 387 OE1 GLU A 27 3.538 11.690 -27.743 1.00 0.00 O ATOM 388 OE2 GLU A 27 1.531 10.843 -27.351 1.00 0.00 O ATOM 0 H GLU A 27 4.425 14.596 -30.989 1.00 0.00 H new ATOM 0 HA GLU A 27 4.061 11.945 -30.033 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.341 13.995 -28.865 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.180 14.324 -30.136 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.964 13.271 -28.353 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.092 12.089 -29.640 1.00 0.00 H new ATOM 395 N GLY A 28 2.592 10.727 -31.597 1.00 0.00 N ATOM 396 CA GLY A 28 1.834 9.942 -32.564 1.00 0.00 C ATOM 397 C GLY A 28 2.740 9.277 -33.596 1.00 0.00 C ATOM 398 O GLY A 28 2.285 8.411 -34.342 1.00 0.00 O ATOM 0 H GLY A 28 3.020 10.168 -30.859 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.259 9.178 -32.040 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.117 10.587 -33.073 1.00 0.00 H new ATOM 402 N ALA A 29 4.016 9.666 -33.643 1.00 0.00 N ATOM 403 CA ALA A 29 5.004 9.040 -34.508 1.00 0.00 C ATOM 404 C ALA A 29 5.724 7.913 -33.767 1.00 0.00 C ATOM 405 O ALA A 29 6.809 7.501 -34.173 1.00 0.00 O ATOM 406 CB ALA A 29 5.985 10.103 -35.005 1.00 0.00 C ATOM 0 H ALA A 29 4.389 10.428 -33.077 1.00 0.00 H new ATOM 0 HA ALA A 29 4.508 8.596 -35.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.727 9.638 -35.654 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.443 10.866 -35.563 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.485 10.563 -34.153 1.00 0.00 H new ATOM 412 N ASN A 30 5.129 7.412 -32.684 1.00 0.00 N ATOM 413 CA ASN A 30 5.794 6.497 -31.773 1.00 0.00 C ATOM 414 C ASN A 30 5.062 5.159 -31.778 1.00 0.00 C ATOM 415 O ASN A 30 3.833 5.123 -31.853 1.00 0.00 O ATOM 416 CB ASN A 30 5.821 7.132 -30.380 1.00 0.00 C ATOM 417 CG ASN A 30 5.918 8.651 -30.442 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.989 9.351 -30.049 1.00 0.00 O ATOM 419 ND2 ASN A 30 7.032 9.179 -30.936 1.00 0.00 N ATOM 0 H ASN A 30 4.169 7.634 -32.418 1.00 0.00 H new ATOM 0 HA ASN A 30 6.822 6.310 -32.085 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.920 6.849 -29.836 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.669 6.738 -29.819 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.133 10.192 -30.997 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.787 8.571 -31.255 1.00 0.00 H new ATOM 426 N LEU A 31 5.811 4.056 -31.695 1.00 0.00 N ATOM 427 CA LEU A 31 5.272 2.717 -31.874 1.00 0.00 C ATOM 428 C LEU A 31 5.625 1.774 -30.729 1.00 0.00 C ATOM 429 O LEU A 31 6.567 1.993 -29.972 1.00 0.00 O ATOM 430 CB LEU A 31 5.813 2.132 -33.184 1.00 0.00 C ATOM 431 CG LEU A 31 4.726 1.996 -34.251 1.00 0.00 C ATOM 432 CD1 LEU A 31 4.138 3.355 -34.613 1.00 0.00 C ATOM 433 CD2 LEU A 31 5.352 1.381 -35.495 1.00 0.00 C ATOM 0 H LEU A 31 6.812 4.073 -31.501 1.00 0.00 H new ATOM 0 HA LEU A 31 4.186 2.807 -31.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.612 2.770 -33.562 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.252 1.154 -32.989 1.00 0.00 H new ATOM 0 HG LEU A 31 3.924 1.368 -33.862 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.368 3.227 -35.374 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.699 3.810 -33.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.926 4.001 -35.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.593 1.275 -36.270 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.152 2.027 -35.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.760 0.400 -35.250 1.00 0.00 H new ATOM 445 N PHE A 32 4.824 0.712 -30.644 1.00 0.00 N ATOM 446 CA PHE A 32 4.973 -0.407 -29.736 1.00 0.00 C ATOM 447 C PHE A 32 5.008 -1.767 -30.411 1.00 0.00 C ATOM 448 O PHE A 32 4.311 -1.979 -31.398 1.00 0.00 O ATOM 449 CB PHE A 32 3.949 -0.371 -28.607 1.00 0.00 C ATOM 450 CG PHE A 32 4.362 0.482 -27.438 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.302 1.880 -27.511 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.806 -0.152 -26.272 1.00 0.00 C ATOM 453 CE1 PHE A 32 4.704 2.644 -26.409 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.196 0.615 -25.171 1.00 0.00 C ATOM 455 CZ PHE A 32 5.154 2.015 -25.242 1.00 0.00 C ATOM 0 H PHE A 32 4.007 0.611 -31.247 1.00 0.00 H new ATOM 0 HA PHE A 32 5.963 -0.276 -29.300 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.003 0.001 -28.999 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.772 -1.388 -28.258 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.949 2.364 -28.410 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.847 -1.230 -26.223 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.667 3.722 -26.459 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.530 0.130 -24.266 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.469 2.608 -24.396 1.00 0.00 H new ATOM 465 N ILE A 33 5.818 -2.682 -29.872 1.00 0.00 N ATOM 466 CA ILE A 33 5.960 -4.019 -30.419 1.00 0.00 C ATOM 467 C ILE A 33 5.998 -5.014 -29.267 1.00 0.00 C ATOM 468 O ILE A 33 6.649 -4.752 -28.260 1.00 0.00 O ATOM 469 CB ILE A 33 7.229 -4.118 -31.279 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.349 -3.002 -32.329 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.233 -5.472 -32.001 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.005 -1.725 -31.790 1.00 0.00 C ATOM 0 H ILE A 33 6.390 -2.510 -29.045 1.00 0.00 H new ATOM 0 HA ILE A 33 5.112 -4.248 -31.065 1.00 0.00 H new ATOM 0 HB ILE A 33 8.078 -4.013 -30.603 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.930 -3.370 -33.175 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.355 -2.760 -32.706 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.130 -5.554 -32.615 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.222 -6.276 -31.266 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.350 -5.548 -32.636 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.057 -0.980 -32.584 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.413 -1.333 -30.963 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.012 -1.953 -31.439 1.00 0.00 H new ATOM 484 N TYR A 34 5.306 -6.146 -29.406 1.00 0.00 N ATOM 485 CA TYR A 34 5.255 -7.163 -28.366 1.00 0.00 C ATOM 486 C TYR A 34 5.312 -8.522 -29.071 1.00 0.00 C ATOM 487 O TYR A 34 5.380 -8.600 -30.297 1.00 0.00 O ATOM 488 CB TYR A 34 3.925 -7.039 -27.616 1.00 0.00 C ATOM 489 CG TYR A 34 3.468 -5.630 -27.298 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.850 -5.008 -26.103 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.645 -4.945 -28.210 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.406 -3.711 -25.801 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.178 -3.659 -27.909 1.00 0.00 C ATOM 494 CZ TYR A 34 2.552 -3.037 -26.699 1.00 0.00 C ATOM 495 OH TYR A 34 2.090 -1.789 -26.406 1.00 0.00 O ATOM 0 H TYR A 34 4.769 -6.379 -30.241 1.00 0.00 H new ATOM 0 HA TYR A 34 6.077 -7.052 -27.659 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.150 -7.525 -28.209 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.006 -7.593 -26.681 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.491 -5.530 -25.408 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.372 -5.412 -29.145 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.717 -3.231 -24.885 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.531 -3.143 -28.604 1.00 0.00 H new ATOM 0 HH TYR A 34 2.847 -1.172 -26.318 1.00 0.00 H new ATOM 505 N HIS A 35 5.282 -9.593 -28.269 1.00 0.00 N ATOM 506 CA HIS A 35 5.349 -10.982 -28.715 1.00 0.00 C ATOM 507 C HIS A 35 6.684 -11.335 -29.380 1.00 0.00 C ATOM 508 O HIS A 35 6.775 -12.347 -30.081 1.00 0.00 O ATOM 509 CB HIS A 35 4.153 -11.338 -29.609 1.00 0.00 C ATOM 510 CG HIS A 35 2.797 -11.025 -29.034 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.596 -11.168 -29.699 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.517 -10.559 -27.779 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.605 -10.804 -28.867 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.147 -10.432 -27.690 1.00 0.00 N ATOM 0 H HIS A 35 5.208 -9.509 -27.255 1.00 0.00 H new ATOM 0 HA HIS A 35 5.291 -11.599 -27.818 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.258 -10.807 -30.555 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.195 -12.403 -29.835 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.480 -11.494 -30.658 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.234 -10.333 -27.004 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.449 -10.809 -29.102 1.00 0.00 H new ATOM 523 N LEU A 36 7.718 -10.517 -29.176 1.00 0.00 N ATOM 524 CA LEU A 36 9.034 -10.759 -29.755 1.00 0.00 C ATOM 525 C LEU A 36 9.689 -11.967 -29.085 1.00 0.00 C ATOM 526 O LEU A 36 9.589 -12.122 -27.869 1.00 0.00 O ATOM 527 CB LEU A 36 9.915 -9.519 -29.565 1.00 0.00 C ATOM 528 CG LEU A 36 9.366 -8.291 -30.300 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.146 -7.056 -29.862 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.520 -8.445 -31.812 1.00 0.00 C ATOM 0 H LEU A 36 7.664 -9.672 -28.607 1.00 0.00 H new ATOM 0 HA LEU A 36 8.922 -10.964 -30.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.997 -9.295 -28.501 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.921 -9.734 -29.924 1.00 0.00 H new ATOM 0 HG LEU A 36 8.308 -8.191 -30.057 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.760 -6.179 -30.381 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.036 -6.918 -28.786 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.201 -7.187 -30.105 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.123 -7.561 -32.310 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.575 -8.558 -32.061 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.972 -9.326 -32.146 1.00 0.00 H new ATOM 542 N PRO A 37 10.363 -12.829 -29.860 1.00 0.00 N ATOM 543 CA PRO A 37 11.103 -13.966 -29.338 1.00 0.00 C ATOM 544 C PRO A 37 12.400 -13.514 -28.659 1.00 0.00 C ATOM 545 O PRO A 37 12.774 -12.345 -28.731 1.00 0.00 O ATOM 546 CB PRO A 37 11.383 -14.843 -30.557 1.00 0.00 C ATOM 547 CG PRO A 37 11.497 -13.824 -31.687 1.00 0.00 C ATOM 548 CD PRO A 37 10.461 -12.770 -31.304 1.00 0.00 C ATOM 0 HA PRO A 37 10.545 -14.505 -28.573 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.300 -15.420 -30.438 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.579 -15.557 -30.735 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.500 -13.401 -31.749 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.279 -14.271 -32.657 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.769 -11.779 -31.636 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.498 -12.978 -31.771 1.00 0.00 H new ATOM 556 N GLN A 38 13.087 -14.450 -27.998 1.00 0.00 N ATOM 557 CA GLN A 38 14.290 -14.165 -27.222 1.00 0.00 C ATOM 558 C GLN A 38 15.494 -13.808 -28.091 1.00 0.00 C ATOM 559 O GLN A 38 16.496 -13.316 -27.573 1.00 0.00 O ATOM 560 CB GLN A 38 14.620 -15.386 -26.356 1.00 0.00 C ATOM 561 CG GLN A 38 13.617 -15.548 -25.208 1.00 0.00 C ATOM 562 CD GLN A 38 13.799 -14.485 -24.129 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.791 -13.762 -24.107 1.00 0.00 O ATOM 564 NE2 GLN A 38 12.837 -14.377 -23.220 1.00 0.00 N ATOM 0 H GLN A 38 12.819 -15.434 -27.988 1.00 0.00 H new ATOM 0 HA GLN A 38 14.083 -13.291 -26.604 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.615 -16.284 -26.974 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.626 -15.284 -25.950 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.603 -15.492 -25.603 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.732 -16.537 -24.764 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.024 -14.991 -23.263 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.911 -13.680 -22.479 1.00 0.00 H new ATOM 573 N GLU A 39 15.419 -14.047 -29.405 1.00 0.00 N ATOM 574 CA GLU A 39 16.530 -13.767 -30.310 1.00 0.00 C ATOM 575 C GLU A 39 16.579 -12.297 -30.733 1.00 0.00 C ATOM 576 O GLU A 39 17.535 -11.884 -31.388 1.00 0.00 O ATOM 577 CB GLU A 39 16.457 -14.711 -31.516 1.00 0.00 C ATOM 578 CG GLU A 39 15.145 -14.550 -32.284 1.00 0.00 C ATOM 579 CD GLU A 39 15.043 -15.527 -33.455 1.00 0.00 C ATOM 580 OE1 GLU A 39 13.960 -15.546 -34.084 1.00 0.00 O ATOM 581 OE2 GLU A 39 16.035 -16.245 -33.720 1.00 0.00 O ATOM 0 H GLU A 39 14.595 -14.436 -29.863 1.00 0.00 H new ATOM 0 HA GLU A 39 17.463 -13.951 -29.778 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.296 -14.513 -32.184 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.556 -15.742 -31.177 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.306 -14.708 -31.606 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.066 -13.529 -32.656 1.00 0.00 H new ATOM 588 N PHE A 40 15.568 -11.501 -30.371 1.00 0.00 N ATOM 589 CA PHE A 40 15.542 -10.073 -30.654 1.00 0.00 C ATOM 590 C PHE A 40 16.406 -9.190 -29.759 1.00 0.00 C ATOM 591 O PHE A 40 16.765 -9.572 -28.644 1.00 0.00 O ATOM 592 CB PHE A 40 14.122 -9.524 -30.820 1.00 0.00 C ATOM 593 CG PHE A 40 13.517 -9.733 -32.190 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.423 -11.019 -32.734 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.045 -8.632 -32.921 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.857 -11.209 -34.005 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.475 -8.820 -34.191 1.00 0.00 C ATOM 598 CZ PHE A 40 12.382 -10.110 -34.729 1.00 0.00 C ATOM 0 H PHE A 40 14.744 -11.836 -29.872 1.00 0.00 H new ATOM 0 HA PHE A 40 16.036 -10.010 -31.623 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.477 -9.994 -30.078 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.133 -8.456 -30.602 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.787 -11.868 -32.174 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.120 -7.638 -32.506 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.788 -12.202 -34.423 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.109 -7.972 -34.751 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.943 -10.257 -35.705 1.00 0.00 H new ATOM 608 N GLY A 41 16.736 -8.003 -30.266 1.00 0.00 N ATOM 609 CA GLY A 41 17.493 -6.996 -29.548 1.00 0.00 C ATOM 610 C GLY A 41 17.247 -5.619 -30.153 1.00 0.00 C ATOM 611 O GLY A 41 16.563 -5.504 -31.170 1.00 0.00 O ATOM 0 H GLY A 41 16.475 -7.715 -31.209 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.205 -6.996 -28.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.556 -7.234 -29.587 1.00 0.00 H new ATOM 615 N ASP A 42 17.791 -4.571 -29.534 1.00 0.00 N ATOM 616 CA ASP A 42 17.570 -3.204 -29.983 1.00 0.00 C ATOM 617 C ASP A 42 18.014 -2.947 -31.419 1.00 0.00 C ATOM 618 O ASP A 42 17.355 -2.221 -32.160 1.00 0.00 O ATOM 619 CB ASP A 42 18.239 -2.201 -29.035 1.00 0.00 C ATOM 620 CG ASP A 42 19.695 -2.528 -28.688 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.201 -3.588 -29.118 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.304 -1.697 -27.982 1.00 0.00 O ATOM 0 H ASP A 42 18.392 -4.649 -28.714 1.00 0.00 H new ATOM 0 HA ASP A 42 16.490 -3.061 -29.964 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.201 -1.211 -29.488 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.661 -2.152 -28.112 1.00 0.00 H new ATOM 627 N GLN A 43 19.136 -3.550 -31.809 1.00 0.00 N ATOM 628 CA GLN A 43 19.664 -3.427 -33.158 1.00 0.00 C ATOM 629 C GLN A 43 18.853 -4.265 -34.142 1.00 0.00 C ATOM 630 O GLN A 43 18.745 -3.920 -35.317 1.00 0.00 O ATOM 631 CB GLN A 43 21.124 -3.882 -33.153 1.00 0.00 C ATOM 632 CG GLN A 43 21.786 -3.771 -34.530 1.00 0.00 C ATOM 633 CD GLN A 43 21.862 -2.332 -35.030 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.702 -1.382 -34.272 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.112 -2.163 -36.330 1.00 0.00 N ATOM 0 H GLN A 43 19.701 -4.137 -31.195 1.00 0.00 H new ATOM 0 HA GLN A 43 19.597 -2.387 -33.478 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.684 -3.282 -32.436 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.176 -4.916 -32.812 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.792 -4.188 -34.480 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.227 -4.372 -35.247 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.240 -2.975 -36.934 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.175 -1.222 -36.719 1.00 0.00 H new ATOM 644 N ASP A 44 18.279 -5.370 -33.665 1.00 0.00 N ATOM 645 CA ASP A 44 17.486 -6.243 -34.512 1.00 0.00 C ATOM 646 C ASP A 44 16.106 -5.698 -34.861 1.00 0.00 C ATOM 647 O ASP A 44 15.674 -5.802 -36.007 1.00 0.00 O ATOM 648 CB ASP A 44 17.403 -7.649 -33.918 1.00 0.00 C ATOM 649 CG ASP A 44 18.725 -8.415 -34.010 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.746 -9.575 -33.546 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.706 -7.844 -34.540 1.00 0.00 O ATOM 0 H ASP A 44 18.352 -5.677 -32.695 1.00 0.00 H new ATOM 0 HA ASP A 44 18.016 -6.293 -35.463 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.102 -7.579 -32.873 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.626 -8.211 -34.436 1.00 0.00 H new ATOM 656 N ILE A 45 15.405 -5.113 -33.886 1.00 0.00 N ATOM 657 CA ILE A 45 14.097 -4.521 -34.133 1.00 0.00 C ATOM 658 C ILE A 45 14.277 -3.227 -34.926 1.00 0.00 C ATOM 659 O ILE A 45 13.365 -2.801 -35.634 1.00 0.00 O ATOM 660 CB ILE A 45 13.394 -4.265 -32.794 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.911 -3.971 -33.042 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.035 -3.103 -32.029 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.149 -3.852 -31.722 1.00 0.00 C ATOM 0 H ILE A 45 15.725 -5.039 -32.920 1.00 0.00 H new ATOM 0 HA ILE A 45 13.475 -5.199 -34.718 1.00 0.00 H new ATOM 0 HB ILE A 45 13.498 -5.161 -32.182 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.810 -3.046 -33.609 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.475 -4.766 -33.648 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.509 -2.954 -31.086 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.081 -3.333 -31.828 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.972 -2.194 -32.628 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.099 -3.643 -31.926 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.232 -4.787 -31.168 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.572 -3.041 -31.130 1.00 0.00 H new ATOM 675 N LEU A 46 15.452 -2.600 -34.818 1.00 0.00 N ATOM 676 CA LEU A 46 15.757 -1.419 -35.603 1.00 0.00 C ATOM 677 C LEU A 46 15.760 -1.794 -37.085 1.00 0.00 C ATOM 678 O LEU A 46 15.105 -1.142 -37.893 1.00 0.00 O ATOM 679 CB LEU A 46 17.121 -0.875 -35.168 1.00 0.00 C ATOM 680 CG LEU A 46 17.596 0.289 -36.038 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.722 1.523 -35.845 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.037 0.628 -35.681 1.00 0.00 C ATOM 0 H LEU A 46 16.201 -2.897 -34.193 1.00 0.00 H new ATOM 0 HA LEU A 46 15.007 -0.644 -35.444 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.063 -0.547 -34.130 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.857 -1.678 -35.208 1.00 0.00 H new ATOM 0 HG LEU A 46 17.526 -0.015 -37.082 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.088 2.331 -36.478 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.693 1.286 -36.117 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.759 1.835 -34.801 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.379 1.458 -36.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.095 0.911 -34.630 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.670 -0.242 -35.858 1.00 0.00 H new ATOM 694 N GLN A 47 16.497 -2.850 -37.440 1.00 0.00 N ATOM 695 CA GLN A 47 16.604 -3.302 -38.820 1.00 0.00 C ATOM 696 C GLN A 47 15.263 -3.791 -39.362 1.00 0.00 C ATOM 697 O GLN A 47 15.060 -3.787 -40.576 1.00 0.00 O ATOM 698 CB GLN A 47 17.646 -4.423 -38.891 1.00 0.00 C ATOM 699 CG GLN A 47 19.055 -3.883 -38.613 1.00 0.00 C ATOM 700 CD GLN A 47 19.668 -3.123 -39.787 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.094 -3.232 -40.980 1.00 0.00 O flip ATOM 702 NE2 GLN A 47 20.670 -2.433 -39.623 1.00 0.00 N flip ATOM 0 H GLN A 47 17.033 -3.411 -36.777 1.00 0.00 H new ATOM 0 HA GLN A 47 16.912 -2.460 -39.440 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.401 -5.199 -38.166 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.619 -4.888 -39.877 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.016 -3.223 -37.746 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.708 -4.716 -38.351 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.095 -2.363 -38.699 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.077 -1.930 -40.411 1.00 0.00 H new ATOM 711 N MET A 48 14.349 -4.210 -38.479 1.00 0.00 N ATOM 712 CA MET A 48 13.016 -4.614 -38.889 1.00 0.00 C ATOM 713 C MET A 48 12.126 -3.407 -39.179 1.00 0.00 C ATOM 714 O MET A 48 11.164 -3.533 -39.931 1.00 0.00 O ATOM 715 CB MET A 48 12.384 -5.479 -37.797 1.00 0.00 C ATOM 716 CG MET A 48 12.999 -6.876 -37.737 1.00 0.00 C ATOM 717 SD MET A 48 12.983 -7.799 -39.297 1.00 0.00 S ATOM 718 CE MET A 48 11.197 -7.970 -39.551 1.00 0.00 C ATOM 0 H MET A 48 14.517 -4.275 -37.475 1.00 0.00 H new ATOM 0 HA MET A 48 13.105 -5.189 -39.811 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.507 -4.988 -36.831 1.00 0.00 H new ATOM 0 HB3 MET A 48 11.312 -5.563 -37.978 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.031 -6.786 -37.398 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.466 -7.457 -36.985 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.012 -8.503 -40.484 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.763 -8.528 -38.721 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.740 -6.982 -39.601 1.00 0.00 H new ATOM 728 N PHE A 49 12.440 -2.245 -38.593 1.00 0.00 N ATOM 729 CA PHE A 49 11.633 -1.039 -38.750 1.00 0.00 C ATOM 730 C PHE A 49 12.207 0.097 -39.601 1.00 0.00 C ATOM 731 O PHE A 49 11.490 1.042 -39.924 1.00 0.00 O ATOM 732 CB PHE A 49 11.052 -0.585 -37.411 1.00 0.00 C ATOM 733 CG PHE A 49 9.893 -1.430 -36.929 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.121 -2.725 -36.447 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.585 -0.925 -36.962 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.050 -3.519 -36.012 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.512 -1.719 -36.531 1.00 0.00 C ATOM 738 CZ PHE A 49 7.743 -3.017 -36.059 1.00 0.00 C ATOM 0 H PHE A 49 13.260 -2.119 -37.999 1.00 0.00 H new ATOM 0 HA PHE A 49 10.812 -1.358 -39.391 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.840 -0.604 -36.659 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.722 0.450 -37.501 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.128 -3.115 -36.410 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.403 0.078 -37.320 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.233 -4.517 -35.641 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.506 -1.328 -36.563 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.916 -3.629 -35.732 1.00 0.00 H new ATOM 748 N MET A 50 13.487 0.023 -39.972 1.00 0.00 N ATOM 749 CA MET A 50 14.104 1.061 -40.790 1.00 0.00 C ATOM 750 C MET A 50 13.554 1.180 -42.220 1.00 0.00 C ATOM 751 O MET A 50 13.543 2.295 -42.737 1.00 0.00 O ATOM 752 CB MET A 50 15.623 0.869 -40.839 1.00 0.00 C ATOM 753 CG MET A 50 16.285 1.378 -39.559 1.00 0.00 C ATOM 754 SD MET A 50 18.061 1.706 -39.715 1.00 0.00 S ATOM 755 CE MET A 50 18.652 0.029 -40.057 1.00 0.00 C ATOM 0 H MET A 50 14.111 -0.743 -39.719 1.00 0.00 H new ATOM 0 HA MET A 50 13.844 1.997 -40.295 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.855 -0.187 -40.976 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.032 1.399 -41.699 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.785 2.294 -39.245 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.131 0.644 -38.768 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.738 0.037 -40.147 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.360 -0.633 -39.242 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.214 -0.328 -40.989 1.00 0.00 H new ATOM 765 N PRO A 51 13.099 0.111 -42.892 1.00 0.00 N ATOM 766 CA PRO A 51 12.608 0.240 -44.258 1.00 0.00 C ATOM 767 C PRO A 51 11.242 0.931 -44.308 1.00 0.00 C ATOM 768 O PRO A 51 10.772 1.275 -45.392 1.00 0.00 O ATOM 769 CB PRO A 51 12.535 -1.190 -44.790 1.00 0.00 C ATOM 770 CG PRO A 51 12.229 -2.004 -43.536 1.00 0.00 C ATOM 771 CD PRO A 51 13.027 -1.276 -42.460 1.00 0.00 C ATOM 0 HA PRO A 51 13.264 0.865 -44.864 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.756 -1.301 -45.544 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.473 -1.498 -45.253 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.163 -2.015 -43.311 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.544 -3.042 -43.641 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.540 -1.358 -41.488 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.023 -1.705 -42.354 1.00 0.00 H new ATOM 779 N PHE A 52 10.601 1.136 -43.154 1.00 0.00 N ATOM 780 CA PHE A 52 9.293 1.777 -43.080 1.00 0.00 C ATOM 781 C PHE A 52 9.403 3.301 -43.002 1.00 0.00 C ATOM 782 O PHE A 52 8.412 4.001 -43.206 1.00 0.00 O ATOM 783 CB PHE A 52 8.549 1.221 -41.871 1.00 0.00 C ATOM 784 CG PHE A 52 8.339 -0.278 -41.920 1.00 0.00 C ATOM 785 CD1 PHE A 52 7.944 -0.903 -43.112 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.554 -1.046 -40.769 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.784 -2.297 -43.156 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.390 -2.437 -40.810 1.00 0.00 C ATOM 789 CZ PHE A 52 8.009 -3.063 -42.006 1.00 0.00 C ATOM 0 H PHE A 52 10.978 0.861 -42.247 1.00 0.00 H new ATOM 0 HA PHE A 52 8.740 1.556 -43.993 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.105 1.471 -40.967 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.579 1.712 -41.795 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.763 -0.311 -43.997 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.847 -0.565 -39.847 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.488 -2.778 -44.076 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.557 -3.027 -39.921 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.889 -4.136 -42.040 1.00 0.00 H new ATOM 799 N GLY A 53 10.599 3.820 -42.709 1.00 0.00 N ATOM 800 CA GLY A 53 10.846 5.251 -42.625 1.00 0.00 C ATOM 801 C GLY A 53 12.026 5.552 -41.705 1.00 0.00 C ATOM 802 O GLY A 53 12.718 4.638 -41.257 1.00 0.00 O ATOM 0 H GLY A 53 11.424 3.250 -42.523 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.047 5.648 -43.620 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.954 5.756 -42.254 1.00 0.00 H new ATOM 806 N ASN A 54 12.264 6.836 -41.420 1.00 0.00 N ATOM 807 CA ASN A 54 13.391 7.233 -40.593 1.00 0.00 C ATOM 808 C ASN A 54 13.097 6.956 -39.122 1.00 0.00 C ATOM 809 O ASN A 54 12.373 7.712 -38.471 1.00 0.00 O ATOM 810 CB ASN A 54 13.701 8.714 -40.820 1.00 0.00 C ATOM 811 CG ASN A 54 14.815 9.185 -39.894 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.772 8.460 -39.634 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.699 10.409 -39.383 1.00 0.00 N ATOM 0 H ASN A 54 11.689 7.611 -41.752 1.00 0.00 H new ATOM 0 HA ASN A 54 14.266 6.647 -40.875 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.994 8.873 -41.858 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.804 9.308 -40.647 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.418 10.770 -38.756 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.892 10.986 -39.619 1.00 0.00 H new ATOM 820 N VAL A 55 13.668 5.866 -38.604 1.00 0.00 N ATOM 821 CA VAL A 55 13.562 5.515 -37.199 1.00 0.00 C ATOM 822 C VAL A 55 14.578 6.335 -36.410 1.00 0.00 C ATOM 823 O VAL A 55 15.778 6.244 -36.668 1.00 0.00 O ATOM 824 CB VAL A 55 13.822 4.015 -37.031 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.807 3.631 -35.555 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.758 3.208 -37.770 1.00 0.00 C ATOM 0 H VAL A 55 14.217 5.205 -39.154 1.00 0.00 H new ATOM 0 HA VAL A 55 12.562 5.735 -36.824 1.00 0.00 H new ATOM 0 HB VAL A 55 14.804 3.792 -37.450 1.00 0.00 H new ATOM 0 HG11 VAL A 55 13.993 2.562 -35.455 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.583 4.185 -35.027 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.834 3.871 -35.126 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.955 2.144 -37.642 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.774 3.446 -37.365 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.784 3.457 -38.831 1.00 0.00 H new ATOM 836 N ILE A 56 14.108 7.135 -35.451 1.00 0.00 N ATOM 837 CA ILE A 56 14.994 7.955 -34.634 1.00 0.00 C ATOM 838 C ILE A 56 15.632 7.109 -33.535 1.00 0.00 C ATOM 839 O ILE A 56 16.760 7.372 -33.123 1.00 0.00 O ATOM 840 CB ILE A 56 14.209 9.127 -34.032 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.693 10.034 -35.156 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.105 9.930 -33.084 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.899 11.224 -34.615 1.00 0.00 C ATOM 0 H ILE A 56 13.118 7.230 -35.224 1.00 0.00 H new ATOM 0 HA ILE A 56 15.791 8.355 -35.261 1.00 0.00 H new ATOM 0 HB ILE A 56 13.362 8.736 -33.468 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.536 10.398 -35.744 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.062 9.453 -35.829 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.537 10.760 -32.662 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.455 9.284 -32.279 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.961 10.319 -33.635 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.553 11.839 -35.446 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.040 10.862 -34.050 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.537 11.821 -33.963 1.00 0.00 H new ATOM 855 N SER A 57 14.909 6.091 -33.057 1.00 0.00 N ATOM 856 CA SER A 57 15.386 5.233 -31.986 1.00 0.00 C ATOM 857 C SER A 57 14.664 3.889 -32.005 1.00 0.00 C ATOM 858 O SER A 57 13.542 3.786 -32.501 1.00 0.00 O ATOM 859 CB SER A 57 15.162 5.932 -30.650 1.00 0.00 C ATOM 860 OG SER A 57 15.665 5.155 -29.586 1.00 0.00 O ATOM 0 H SER A 57 13.982 5.846 -33.405 1.00 0.00 H new ATOM 0 HA SER A 57 16.450 5.044 -32.128 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.652 6.906 -30.658 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.097 6.112 -30.503 1.00 0.00 H new ATOM 0 HG SER A 57 15.512 5.623 -28.739 1.00 0.00 H new ATOM 866 N ALA A 58 15.320 2.866 -31.458 1.00 0.00 N ATOM 867 CA ALA A 58 14.799 1.513 -31.405 1.00 0.00 C ATOM 868 C ALA A 58 15.287 0.833 -30.129 1.00 0.00 C ATOM 869 O ALA A 58 16.396 1.101 -29.664 1.00 0.00 O ATOM 870 CB ALA A 58 15.258 0.759 -32.651 1.00 0.00 C ATOM 0 H ALA A 58 16.243 2.962 -31.034 1.00 0.00 H new ATOM 0 HA ALA A 58 13.709 1.521 -31.387 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.872 -0.260 -32.622 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.883 1.264 -33.541 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.347 0.734 -32.680 1.00 0.00 H new ATOM 876 N LYS A 59 14.457 -0.044 -29.556 1.00 0.00 N ATOM 877 CA LYS A 59 14.740 -0.679 -28.279 1.00 0.00 C ATOM 878 C LYS A 59 13.977 -1.989 -28.125 1.00 0.00 C ATOM 879 O LYS A 59 12.821 -2.095 -28.528 1.00 0.00 O ATOM 880 CB LYS A 59 14.327 0.300 -27.168 1.00 0.00 C ATOM 881 CG LYS A 59 14.333 -0.298 -25.757 1.00 0.00 C ATOM 882 CD LYS A 59 15.751 -0.624 -25.287 1.00 0.00 C ATOM 883 CE LYS A 59 15.691 -1.256 -23.898 1.00 0.00 C ATOM 884 NZ LYS A 59 17.038 -1.600 -23.406 1.00 0.00 N ATOM 0 H LYS A 59 13.570 -0.330 -29.971 1.00 0.00 H new ATOM 0 HA LYS A 59 15.803 -0.915 -28.219 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.000 1.157 -27.188 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.327 0.675 -27.385 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.872 0.404 -25.062 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.728 -1.204 -25.743 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.231 -1.306 -25.989 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.355 0.283 -25.260 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.213 -0.566 -23.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.074 -2.154 -23.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.964 -2.027 -22.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.483 -2.277 -24.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.618 -0.739 -23.352 1.00 0.00 H new ATOM 898 N VAL A 60 14.632 -2.988 -27.531 1.00 0.00 N ATOM 899 CA VAL A 60 13.976 -4.212 -27.093 1.00 0.00 C ATOM 900 C VAL A 60 14.220 -4.267 -25.594 1.00 0.00 C ATOM 901 O VAL A 60 15.356 -4.110 -25.142 1.00 0.00 O ATOM 902 CB VAL A 60 14.569 -5.429 -27.808 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.164 -6.727 -27.105 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.044 -5.472 -29.241 1.00 0.00 C ATOM 0 H VAL A 60 15.634 -2.967 -27.342 1.00 0.00 H new ATOM 0 HA VAL A 60 12.911 -4.222 -27.326 1.00 0.00 H new ATOM 0 HB VAL A 60 15.655 -5.340 -27.795 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.598 -7.577 -27.632 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.528 -6.713 -26.078 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.078 -6.817 -27.104 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.463 -6.337 -29.756 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.957 -5.549 -29.228 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.337 -4.561 -29.763 1.00 0.00 H new ATOM 914 N PHE A 61 13.159 -4.486 -24.820 1.00 0.00 N ATOM 915 CA PHE A 61 13.251 -4.433 -23.377 1.00 0.00 C ATOM 916 C PHE A 61 13.903 -5.662 -22.755 1.00 0.00 C ATOM 917 O PHE A 61 13.683 -6.773 -23.236 1.00 0.00 O ATOM 918 CB PHE A 61 11.887 -4.087 -22.788 1.00 0.00 C ATOM 919 CG PHE A 61 11.442 -2.682 -23.124 1.00 0.00 C ATOM 920 CD1 PHE A 61 10.253 -2.473 -23.837 1.00 0.00 C ATOM 921 CD2 PHE A 61 12.220 -1.583 -22.737 1.00 0.00 C ATOM 922 CE1 PHE A 61 9.832 -1.173 -24.140 1.00 0.00 C ATOM 923 CE2 PHE A 61 11.800 -0.281 -23.033 1.00 0.00 C ATOM 924 CZ PHE A 61 10.606 -0.072 -23.739 1.00 0.00 C ATOM 0 H PHE A 61 12.228 -4.702 -25.176 1.00 0.00 H new ATOM 0 HA PHE A 61 13.940 -3.631 -23.113 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.146 -4.796 -23.158 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.925 -4.202 -21.705 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.660 -3.318 -24.154 1.00 0.00 H new ATOM 0 HD2 PHE A 61 13.148 -1.741 -22.208 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.911 -1.017 -24.683 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.395 0.563 -22.718 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.283 0.932 -23.973 1.00 0.00 H new ATOM 934 N ILE A 62 14.696 -5.477 -21.692 1.00 0.00 N ATOM 935 CA ILE A 62 15.465 -6.559 -21.085 1.00 0.00 C ATOM 936 C ILE A 62 15.296 -6.550 -19.564 1.00 0.00 C ATOM 937 O ILE A 62 15.197 -5.488 -18.952 1.00 0.00 O ATOM 938 CB ILE A 62 16.952 -6.423 -21.449 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.200 -6.311 -22.959 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.726 -7.614 -20.874 1.00 0.00 C ATOM 941 CD1 ILE A 62 16.849 -7.578 -23.740 1.00 0.00 C ATOM 0 H ILE A 62 14.819 -4.574 -21.233 1.00 0.00 H new ATOM 0 HA ILE A 62 15.090 -7.507 -21.472 1.00 0.00 H new ATOM 0 HB ILE A 62 17.306 -5.490 -21.011 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.615 -5.480 -23.353 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.250 -6.071 -23.128 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.781 -7.520 -21.131 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.616 -7.630 -19.790 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.332 -8.540 -21.292 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.052 -7.420 -24.799 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.452 -8.409 -23.375 1.00 0.00 H new ATOM 0 HD13 ILE A 62 15.793 -7.809 -23.603 1.00 0.00 H new ATOM 953 N ASP A 63 15.262 -7.735 -18.950 1.00 0.00 N ATOM 954 CA ASP A 63 15.165 -7.866 -17.505 1.00 0.00 C ATOM 955 C ASP A 63 16.578 -7.797 -16.924 1.00 0.00 C ATOM 956 O ASP A 63 17.477 -8.494 -17.389 1.00 0.00 O ATOM 957 CB ASP A 63 14.522 -9.221 -17.180 1.00 0.00 C ATOM 958 CG ASP A 63 14.174 -9.359 -15.699 1.00 0.00 C ATOM 959 OD1 ASP A 63 14.566 -8.463 -14.920 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.509 -10.363 -15.361 1.00 0.00 O ATOM 0 H ASP A 63 15.301 -8.626 -19.445 1.00 0.00 H new ATOM 0 HA ASP A 63 14.556 -7.070 -17.077 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.618 -9.343 -17.776 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.204 -10.022 -17.467 1.00 0.00 H new ATOM 965 N LYS A 64 16.786 -6.960 -15.906 1.00 0.00 N ATOM 966 CA LYS A 64 18.093 -6.814 -15.280 1.00 0.00 C ATOM 967 C LYS A 64 18.381 -7.958 -14.305 1.00 0.00 C ATOM 968 O LYS A 64 19.512 -8.093 -13.843 1.00 0.00 O ATOM 969 CB LYS A 64 18.207 -5.448 -14.584 1.00 0.00 C ATOM 970 CG LYS A 64 17.361 -5.297 -13.313 1.00 0.00 C ATOM 971 CD LYS A 64 15.849 -5.233 -13.548 1.00 0.00 C ATOM 972 CE LYS A 64 15.460 -4.098 -14.498 1.00 0.00 C ATOM 973 NZ LYS A 64 15.840 -2.779 -13.954 1.00 0.00 N ATOM 0 H LYS A 64 16.059 -6.372 -15.499 1.00 0.00 H new ATOM 0 HA LYS A 64 18.848 -6.863 -16.065 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.252 -5.272 -14.330 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.916 -4.671 -15.291 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.576 -6.135 -12.650 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.672 -4.391 -12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.506 -6.182 -13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.340 -5.097 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.945 -4.248 -15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.385 -4.123 -14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.472 -2.029 -14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.440 -2.668 -13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.876 -2.709 -13.904 1.00 0.00 H new ATOM 987 N GLN A 65 17.374 -8.777 -13.990 1.00 0.00 N ATOM 988 CA GLN A 65 17.518 -9.891 -13.062 1.00 0.00 C ATOM 989 C GLN A 65 17.929 -11.188 -13.754 1.00 0.00 C ATOM 990 O GLN A 65 18.474 -12.082 -13.108 1.00 0.00 O ATOM 991 CB GLN A 65 16.174 -10.125 -12.377 1.00 0.00 C ATOM 992 CG GLN A 65 15.746 -8.953 -11.488 1.00 0.00 C ATOM 993 CD GLN A 65 16.668 -8.783 -10.288 1.00 0.00 C ATOM 994 OE1 GLN A 65 17.741 -8.011 -10.443 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 16.425 -9.349 -9.224 1.00 0.00 N flip ATOM 0 H GLN A 65 16.434 -8.682 -14.375 1.00 0.00 H new ATOM 0 HA GLN A 65 18.303 -9.627 -12.353 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.410 -10.297 -13.136 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.233 -11.030 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.742 -8.035 -12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.725 -9.114 -11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.594 -9.934 -9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.054 -9.233 -8.429 1.00 0.00 H new ATOM 1004 N THR A 66 17.669 -11.292 -15.059 1.00 0.00 N ATOM 1005 CA THR A 66 17.895 -12.511 -15.831 1.00 0.00 C ATOM 1006 C THR A 66 18.534 -12.288 -17.191 1.00 0.00 C ATOM 1007 O THR A 66 18.955 -13.235 -17.850 1.00 0.00 O ATOM 1008 CB THR A 66 16.613 -13.348 -15.933 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.892 -12.942 -17.077 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.703 -13.174 -14.720 1.00 0.00 C ATOM 0 H THR A 66 17.292 -10.523 -15.613 1.00 0.00 H new ATOM 0 HA THR A 66 18.636 -13.078 -15.268 1.00 0.00 H new ATOM 0 HB THR A 66 16.913 -14.394 -15.989 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.071 -13.473 -17.152 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.811 -13.788 -14.843 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.234 -13.483 -13.820 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.413 -12.127 -14.630 1.00 0.00 H new ATOM 1018 N ASN A 67 18.597 -11.019 -17.600 1.00 0.00 N ATOM 1019 CA ASN A 67 19.130 -10.595 -18.891 1.00 0.00 C ATOM 1020 C ASN A 67 18.342 -11.166 -20.071 1.00 0.00 C ATOM 1021 O ASN A 67 18.750 -10.998 -21.219 1.00 0.00 O ATOM 1022 CB ASN A 67 20.629 -10.887 -18.970 1.00 0.00 C ATOM 1023 CG ASN A 67 21.442 -10.060 -17.980 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.931 -9.155 -17.326 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.728 -10.376 -17.863 1.00 0.00 N ATOM 0 H ASN A 67 18.270 -10.241 -17.027 1.00 0.00 H new ATOM 0 HA ASN A 67 19.004 -9.515 -18.968 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.799 -11.946 -18.778 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.982 -10.685 -19.981 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.323 -9.861 -17.214 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.120 -11.134 -18.422 1.00 0.00 H new ATOM 1032 N LEU A 68 17.221 -11.837 -19.805 1.00 0.00 N ATOM 1033 CA LEU A 68 16.349 -12.342 -20.854 1.00 0.00 C ATOM 1034 C LEU A 68 15.478 -11.207 -21.387 1.00 0.00 C ATOM 1035 O LEU A 68 15.272 -10.201 -20.709 1.00 0.00 O ATOM 1036 CB LEU A 68 15.486 -13.484 -20.311 1.00 0.00 C ATOM 1037 CG LEU A 68 16.331 -14.672 -19.844 1.00 0.00 C ATOM 1038 CD1 LEU A 68 15.411 -15.740 -19.254 1.00 0.00 C ATOM 1039 CD2 LEU A 68 17.121 -15.274 -21.006 1.00 0.00 C ATOM 0 H LEU A 68 16.897 -12.043 -18.860 1.00 0.00 H new ATOM 0 HA LEU A 68 16.952 -12.731 -21.674 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.884 -13.119 -19.479 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.793 -13.814 -21.085 1.00 0.00 H new ATOM 0 HG LEU A 68 17.037 -14.321 -19.091 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.007 -16.589 -18.919 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.866 -15.323 -18.407 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.703 -16.071 -20.014 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.712 -16.116 -20.646 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.430 -15.618 -21.776 1.00 0.00 H new ATOM 0 HD23 LEU A 68 17.784 -14.518 -21.426 1.00 0.00 H new ATOM 1051 N SER A 69 14.970 -11.376 -22.608 1.00 0.00 N ATOM 1052 CA SER A 69 14.129 -10.373 -23.235 1.00 0.00 C ATOM 1053 C SER A 69 12.759 -10.313 -22.570 1.00 0.00 C ATOM 1054 O SER A 69 12.212 -11.340 -22.158 1.00 0.00 O ATOM 1055 CB SER A 69 13.993 -10.670 -24.727 1.00 0.00 C ATOM 1056 OG SER A 69 13.080 -9.769 -25.313 1.00 0.00 O ATOM 0 H SER A 69 15.131 -12.205 -23.180 1.00 0.00 H new ATOM 0 HA SER A 69 14.600 -9.398 -23.110 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.965 -10.585 -25.214 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.651 -11.695 -24.873 1.00 0.00 H new ATOM 0 HG SER A 69 12.998 -9.963 -26.270 1.00 0.00 H new ATOM 1062 N LYS A 70 12.211 -9.101 -22.471 1.00 0.00 N ATOM 1063 CA LYS A 70 10.868 -8.864 -21.966 1.00 0.00 C ATOM 1064 C LYS A 70 9.822 -9.214 -23.026 1.00 0.00 C ATOM 1065 O LYS A 70 8.629 -9.022 -22.803 1.00 0.00 O ATOM 1066 CB LYS A 70 10.743 -7.403 -21.536 1.00 0.00 C ATOM 1067 CG LYS A 70 11.625 -7.065 -20.332 1.00 0.00 C ATOM 1068 CD LYS A 70 11.065 -7.727 -19.071 1.00 0.00 C ATOM 1069 CE LYS A 70 11.769 -7.148 -17.842 1.00 0.00 C ATOM 1070 NZ LYS A 70 11.244 -7.743 -16.597 1.00 0.00 N ATOM 0 H LYS A 70 12.699 -8.248 -22.745 1.00 0.00 H new ATOM 0 HA LYS A 70 10.688 -9.506 -21.103 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.013 -6.758 -22.372 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.703 -7.188 -21.291 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.645 -7.407 -20.510 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.670 -5.984 -20.196 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.991 -7.556 -19.003 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.214 -8.806 -19.116 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.841 -7.333 -17.913 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.633 -6.067 -17.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.739 -7.332 -15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.226 -7.545 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.396 -8.772 -16.613 1.00 0.00 H new ATOM 1084 N CYS A 71 10.281 -9.727 -24.171 1.00 0.00 N ATOM 1085 CA CYS A 71 9.434 -10.128 -25.284 1.00 0.00 C ATOM 1086 C CYS A 71 8.638 -8.981 -25.906 1.00 0.00 C ATOM 1087 O CYS A 71 7.639 -9.222 -26.580 1.00 0.00 O ATOM 1088 CB CYS A 71 8.563 -11.327 -24.892 1.00 0.00 C ATOM 1089 SG CYS A 71 9.624 -12.750 -24.530 1.00 0.00 S ATOM 0 H CYS A 71 11.274 -9.876 -24.348 1.00 0.00 H new ATOM 0 HA CYS A 71 10.098 -10.447 -26.088 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.957 -11.080 -24.020 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.874 -11.570 -25.701 1.00 0.00 H new ATOM 0 HG CYS A 71 8.887 -13.767 -24.195 1.00 0.00 H new ATOM 1095 N PHE A 72 9.064 -7.728 -25.693 1.00 0.00 N ATOM 1096 CA PHE A 72 8.403 -6.590 -26.320 1.00 0.00 C ATOM 1097 C PHE A 72 9.444 -5.466 -26.330 1.00 0.00 C ATOM 1098 O PHE A 72 10.502 -5.574 -25.709 1.00 0.00 O ATOM 1099 CB PHE A 72 7.180 -6.214 -25.472 1.00 0.00 C ATOM 1100 CG PHE A 72 7.398 -5.227 -24.349 1.00 0.00 C ATOM 1101 CD1 PHE A 72 8.100 -5.593 -23.192 1.00 0.00 C ATOM 1102 CD2 PHE A 72 6.872 -3.934 -24.469 1.00 0.00 C ATOM 1103 CE1 PHE A 72 8.259 -4.667 -22.150 1.00 0.00 C ATOM 1104 CE2 PHE A 72 7.030 -3.010 -23.426 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.720 -3.378 -22.263 1.00 0.00 C ATOM 0 H PHE A 72 9.855 -7.485 -25.097 1.00 0.00 H new ATOM 0 HA PHE A 72 8.054 -6.795 -27.332 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.419 -5.806 -26.138 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.771 -7.129 -25.043 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.517 -6.585 -23.103 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.344 -3.648 -25.367 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.799 -4.948 -21.258 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.620 -2.015 -23.519 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.836 -2.670 -21.456 1.00 0.00 H new ATOM 1115 N GLY A 73 9.140 -4.379 -27.045 1.00 0.00 N ATOM 1116 CA GLY A 73 10.083 -3.295 -27.247 1.00 0.00 C ATOM 1117 C GLY A 73 9.411 -1.991 -27.668 1.00 0.00 C ATOM 1118 O GLY A 73 8.186 -1.857 -27.616 1.00 0.00 O ATOM 0 H GLY A 73 8.236 -4.234 -27.495 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.640 -3.129 -26.325 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.806 -3.587 -28.008 1.00 0.00 H new ATOM 1122 N PHE A 74 10.241 -1.035 -28.086 1.00 0.00 N ATOM 1123 CA PHE A 74 9.850 0.317 -28.447 1.00 0.00 C ATOM 1124 C PHE A 74 10.587 0.910 -29.650 1.00 0.00 C ATOM 1125 O PHE A 74 11.784 0.678 -29.816 1.00 0.00 O ATOM 1126 CB PHE A 74 9.841 1.213 -27.199 1.00 0.00 C ATOM 1127 CG PHE A 74 10.060 2.686 -27.465 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.244 3.295 -27.018 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.096 3.439 -28.148 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.489 4.642 -27.320 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.335 4.788 -28.432 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.539 5.387 -28.035 1.00 0.00 C ATOM 0 H PHE A 74 11.244 -1.194 -28.184 1.00 0.00 H new ATOM 0 HA PHE A 74 8.829 0.262 -28.824 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.885 1.090 -26.689 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.615 0.864 -26.515 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.962 2.728 -26.444 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.169 2.978 -28.455 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.410 5.107 -27.002 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.591 5.369 -28.958 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.735 6.421 -28.279 1.00 0.00 H new ATOM 1142 N VAL A 75 9.880 1.671 -30.492 1.00 0.00 N ATOM 1143 CA VAL A 75 10.429 2.247 -31.717 1.00 0.00 C ATOM 1144 C VAL A 75 9.746 3.593 -31.966 1.00 0.00 C ATOM 1145 O VAL A 75 8.608 3.794 -31.548 1.00 0.00 O ATOM 1146 CB VAL A 75 10.189 1.281 -32.893 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.590 1.897 -34.233 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.974 -0.023 -32.726 1.00 0.00 C ATOM 0 H VAL A 75 8.899 1.905 -30.337 1.00 0.00 H new ATOM 0 HA VAL A 75 11.504 2.402 -31.621 1.00 0.00 H new ATOM 0 HB VAL A 75 9.118 1.076 -32.888 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.404 1.181 -35.033 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.003 2.799 -34.409 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.650 2.152 -34.214 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.778 -0.677 -33.576 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.040 0.198 -32.677 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.664 -0.519 -31.807 1.00 0.00 H new ATOM 1158 N SER A 76 10.420 4.527 -32.646 1.00 0.00 N ATOM 1159 CA SER A 76 9.834 5.831 -32.938 1.00 0.00 C ATOM 1160 C SER A 76 10.334 6.397 -34.267 1.00 0.00 C ATOM 1161 O SER A 76 11.462 6.134 -34.677 1.00 0.00 O ATOM 1162 CB SER A 76 10.122 6.803 -31.794 1.00 0.00 C ATOM 1163 OG SER A 76 9.549 8.063 -32.079 1.00 0.00 O ATOM 0 H SER A 76 11.368 4.401 -33.001 1.00 0.00 H new ATOM 0 HA SER A 76 8.756 5.699 -33.031 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.716 6.411 -30.861 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.198 6.906 -31.655 1.00 0.00 H new ATOM 0 HG SER A 76 10.107 8.536 -32.732 1.00 0.00 H new ATOM 1169 N TYR A 77 9.476 7.176 -34.930 1.00 0.00 N ATOM 1170 CA TYR A 77 9.755 7.808 -36.214 1.00 0.00 C ATOM 1171 C TYR A 77 9.874 9.328 -36.173 1.00 0.00 C ATOM 1172 O TYR A 77 9.442 9.959 -35.213 1.00 0.00 O ATOM 1173 CB TYR A 77 8.730 7.369 -37.254 1.00 0.00 C ATOM 1174 CG TYR A 77 8.868 5.924 -37.655 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.666 5.570 -38.754 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.199 4.937 -36.915 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.797 4.224 -39.111 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.336 3.590 -37.263 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.138 3.233 -38.363 1.00 0.00 C ATOM 1180 OH TYR A 77 9.272 1.922 -38.694 1.00 0.00 O ATOM 0 H TYR A 77 8.543 7.388 -34.576 1.00 0.00 H new ATOM 0 HA TYR A 77 10.748 7.460 -36.499 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.728 7.535 -36.859 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.831 7.996 -38.140 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.177 6.334 -39.322 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.578 5.218 -36.077 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.404 3.946 -39.960 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.829 2.827 -36.691 1.00 0.00 H new ATOM 0 HH TYR A 77 10.168 1.767 -39.058 1.00 0.00 H new ATOM 1190 N ASP A 78 10.460 9.919 -37.219 1.00 0.00 N ATOM 1191 CA ASP A 78 10.565 11.365 -37.340 1.00 0.00 C ATOM 1192 C ASP A 78 9.238 11.956 -37.831 1.00 0.00 C ATOM 1193 O ASP A 78 9.052 13.173 -37.823 1.00 0.00 O ATOM 1194 CB ASP A 78 11.702 11.675 -38.317 1.00 0.00 C ATOM 1195 CG ASP A 78 12.017 13.169 -38.419 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.538 13.561 -39.490 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.745 13.907 -37.445 1.00 0.00 O ATOM 0 H ASP A 78 10.871 9.406 -37.999 1.00 0.00 H new ATOM 0 HA ASP A 78 10.781 11.815 -36.371 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.599 11.142 -38.002 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.437 11.298 -39.305 1.00 0.00 H new ATOM 1202 N ASN A 79 8.304 11.104 -38.256 1.00 0.00 N ATOM 1203 CA ASN A 79 6.990 11.536 -38.702 1.00 0.00 C ATOM 1204 C ASN A 79 5.949 10.430 -38.530 1.00 0.00 C ATOM 1205 O ASN A 79 6.287 9.250 -38.626 1.00 0.00 O ATOM 1206 CB ASN A 79 7.053 12.037 -40.150 1.00 0.00 C ATOM 1207 CG ASN A 79 7.912 11.175 -41.071 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.834 9.855 -40.927 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.641 11.700 -41.908 1.00 0.00 N flip ATOM 0 H ASN A 79 8.443 10.094 -38.299 1.00 0.00 H new ATOM 0 HA ASN A 79 6.673 12.368 -38.073 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.041 12.082 -40.552 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.443 13.055 -40.154 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.675 12.716 -41.989 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.213 11.120 -42.522 1.00 0.00 H new ATOM 1216 N PRO A 80 4.686 10.801 -38.279 1.00 0.00 N ATOM 1217 CA PRO A 80 3.605 9.861 -38.023 1.00 0.00 C ATOM 1218 C PRO A 80 3.233 9.049 -39.266 1.00 0.00 C ATOM 1219 O PRO A 80 2.612 7.995 -39.145 1.00 0.00 O ATOM 1220 CB PRO A 80 2.432 10.731 -37.562 1.00 0.00 C ATOM 1221 CG PRO A 80 2.688 12.062 -38.271 1.00 0.00 C ATOM 1222 CD PRO A 80 4.208 12.169 -38.218 1.00 0.00 C ATOM 0 HA PRO A 80 3.894 9.120 -37.278 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.473 10.299 -37.849 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.418 10.848 -36.478 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.316 12.056 -39.296 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.203 12.895 -37.761 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.591 12.758 -39.052 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.537 12.661 -37.303 1.00 0.00 H new ATOM 1230 N VAL A 81 3.600 9.514 -40.462 1.00 0.00 N ATOM 1231 CA VAL A 81 3.260 8.805 -41.688 1.00 0.00 C ATOM 1232 C VAL A 81 3.989 7.468 -41.790 1.00 0.00 C ATOM 1233 O VAL A 81 3.408 6.473 -42.224 1.00 0.00 O ATOM 1234 CB VAL A 81 3.529 9.713 -42.894 1.00 0.00 C ATOM 1235 CG1 VAL A 81 5.019 9.983 -43.095 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.977 9.073 -44.165 1.00 0.00 C ATOM 0 H VAL A 81 4.130 10.374 -40.603 1.00 0.00 H new ATOM 0 HA VAL A 81 2.198 8.562 -41.674 1.00 0.00 H new ATOM 0 HB VAL A 81 3.031 10.661 -42.692 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.158 10.630 -43.961 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.423 10.471 -42.208 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.541 9.040 -43.260 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.173 9.726 -45.016 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.461 8.110 -44.327 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.902 8.926 -44.061 1.00 0.00 H new ATOM 1246 N SER A 82 5.261 7.436 -41.388 1.00 0.00 N ATOM 1247 CA SER A 82 6.045 6.213 -41.383 1.00 0.00 C ATOM 1248 C SER A 82 5.623 5.312 -40.228 1.00 0.00 C ATOM 1249 O SER A 82 5.803 4.097 -40.291 1.00 0.00 O ATOM 1250 CB SER A 82 7.526 6.560 -41.248 1.00 0.00 C ATOM 1251 OG SER A 82 7.949 7.337 -42.348 1.00 0.00 O ATOM 0 H SER A 82 5.769 8.257 -41.059 1.00 0.00 H new ATOM 0 HA SER A 82 5.875 5.682 -42.319 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.695 7.107 -40.321 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.117 5.646 -41.191 1.00 0.00 H new ATOM 0 HG SER A 82 7.985 8.281 -42.087 1.00 0.00 H new ATOM 1257 N ALA A 83 5.056 5.899 -39.171 1.00 0.00 N ATOM 1258 CA ALA A 83 4.617 5.146 -38.014 1.00 0.00 C ATOM 1259 C ALA A 83 3.399 4.303 -38.364 1.00 0.00 C ATOM 1260 O ALA A 83 3.380 3.106 -38.092 1.00 0.00 O ATOM 1261 CB ALA A 83 4.293 6.115 -36.880 1.00 0.00 C ATOM 0 H ALA A 83 4.893 6.904 -39.102 1.00 0.00 H new ATOM 0 HA ALA A 83 5.412 4.473 -37.694 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.962 5.554 -36.006 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.184 6.689 -36.627 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.501 6.794 -37.197 1.00 0.00 H new ATOM 1267 N GLN A 84 2.371 4.908 -38.969 1.00 0.00 N ATOM 1268 CA GLN A 84 1.150 4.181 -39.283 1.00 0.00 C ATOM 1269 C GLN A 84 1.397 3.135 -40.366 1.00 0.00 C ATOM 1270 O GLN A 84 0.713 2.112 -40.403 1.00 0.00 O ATOM 1271 CB GLN A 84 0.057 5.163 -39.716 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.220 6.206 -38.629 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.495 5.578 -37.269 1.00 0.00 C ATOM 1274 OE1 GLN A 84 0.043 6.179 -36.212 1.00 0.00 O flip ATOM 1275 NE2 GLN A 84 -1.183 4.567 -37.163 1.00 0.00 N flip ATOM 0 H GLN A 84 2.365 5.890 -39.246 1.00 0.00 H new ATOM 0 HA GLN A 84 0.819 3.656 -38.387 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.360 5.665 -40.635 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.859 4.615 -39.939 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.635 6.877 -38.549 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.075 6.814 -38.924 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.581 4.131 -37.995 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.357 4.163 -36.243 1.00 0.00 H new ATOM 1284 N ALA A 85 2.371 3.372 -41.251 1.00 0.00 N ATOM 1285 CA ALA A 85 2.733 2.381 -42.252 1.00 0.00 C ATOM 1286 C ALA A 85 3.377 1.168 -41.582 1.00 0.00 C ATOM 1287 O ALA A 85 3.082 0.030 -41.940 1.00 0.00 O ATOM 1288 CB ALA A 85 3.717 3.005 -43.240 1.00 0.00 C ATOM 0 H ALA A 85 2.914 4.235 -41.290 1.00 0.00 H new ATOM 0 HA ALA A 85 1.836 2.056 -42.779 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.993 2.267 -43.994 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.251 3.863 -43.725 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.610 3.331 -42.707 1.00 0.00 H new ATOM 1294 N ALA A 86 4.255 1.415 -40.608 1.00 0.00 N ATOM 1295 CA ALA A 86 4.979 0.353 -39.936 1.00 0.00 C ATOM 1296 C ALA A 86 4.060 -0.512 -39.072 1.00 0.00 C ATOM 1297 O ALA A 86 4.344 -1.691 -38.870 1.00 0.00 O ATOM 1298 CB ALA A 86 6.079 0.975 -39.080 1.00 0.00 C ATOM 0 H ALA A 86 4.478 2.351 -40.270 1.00 0.00 H new ATOM 0 HA ALA A 86 5.412 -0.302 -40.692 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.632 0.187 -38.569 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.759 1.541 -39.717 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.633 1.642 -38.343 1.00 0.00 H new ATOM 1304 N ILE A 87 2.957 0.047 -38.559 1.00 0.00 N ATOM 1305 CA ILE A 87 2.016 -0.753 -37.787 1.00 0.00 C ATOM 1306 C ILE A 87 1.348 -1.757 -38.721 1.00 0.00 C ATOM 1307 O ILE A 87 1.320 -2.948 -38.434 1.00 0.00 O ATOM 1308 CB ILE A 87 0.962 0.130 -37.112 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.633 1.049 -36.083 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.091 -0.754 -36.429 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.630 1.885 -35.286 1.00 0.00 C ATOM 0 H ILE A 87 2.703 1.029 -38.664 1.00 0.00 H new ATOM 0 HA ILE A 87 2.555 -1.278 -36.999 1.00 0.00 H new ATOM 0 HB ILE A 87 0.472 0.747 -37.865 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.223 0.444 -35.394 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.326 1.715 -36.596 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.840 -0.123 -35.949 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.573 -1.387 -37.174 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.391 -1.380 -35.678 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.165 2.514 -34.575 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.057 2.514 -35.968 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.048 1.223 -34.747 1.00 0.00 H new ATOM 1323 N GLN A 88 0.813 -1.271 -39.840 1.00 0.00 N ATOM 1324 CA GLN A 88 0.136 -2.124 -40.806 1.00 0.00 C ATOM 1325 C GLN A 88 1.116 -3.071 -41.497 1.00 0.00 C ATOM 1326 O GLN A 88 0.689 -4.002 -42.172 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.568 -1.250 -41.840 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.646 -0.392 -41.171 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.315 0.553 -42.166 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.008 0.548 -43.358 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.240 1.373 -41.685 1.00 0.00 N ATOM 0 H GLN A 88 0.838 -0.284 -40.098 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.596 -2.735 -40.277 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.159 -0.608 -42.338 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.019 -1.877 -42.609 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.399 -1.039 -40.721 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.200 0.187 -40.363 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.472 1.353 -40.692 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.719 2.023 -42.308 1.00 0.00 H new ATOM 1340 N ALA A 89 2.422 -2.839 -41.332 1.00 0.00 N ATOM 1341 CA ALA A 89 3.447 -3.654 -41.957 1.00 0.00 C ATOM 1342 C ALA A 89 3.874 -4.846 -41.096 1.00 0.00 C ATOM 1343 O ALA A 89 4.244 -5.883 -41.648 1.00 0.00 O ATOM 1344 CB ALA A 89 4.650 -2.765 -42.258 1.00 0.00 C ATOM 0 H ALA A 89 2.790 -2.079 -40.760 1.00 0.00 H new ATOM 0 HA ALA A 89 3.032 -4.075 -42.873 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.433 -3.359 -42.729 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.350 -1.962 -42.931 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.028 -2.338 -41.329 1.00 0.00 H new ATOM 1350 N MET A 90 3.835 -4.718 -39.761 1.00 0.00 N ATOM 1351 CA MET A 90 4.277 -5.796 -38.881 1.00 0.00 C ATOM 1352 C MET A 90 3.241 -6.262 -37.866 1.00 0.00 C ATOM 1353 O MET A 90 3.443 -7.291 -37.221 1.00 0.00 O ATOM 1354 CB MET A 90 5.598 -5.434 -38.203 1.00 0.00 C ATOM 1355 CG MET A 90 6.733 -5.503 -39.222 1.00 0.00 C ATOM 1356 SD MET A 90 8.397 -5.575 -38.511 1.00 0.00 S ATOM 1357 CE MET A 90 8.281 -7.146 -37.616 1.00 0.00 C ATOM 0 H MET A 90 3.504 -3.884 -39.276 1.00 0.00 H new ATOM 0 HA MET A 90 4.429 -6.656 -39.533 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.538 -4.432 -37.778 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.794 -6.119 -37.378 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.584 -6.381 -39.850 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.670 -4.631 -39.873 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.279 -7.474 -37.325 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.669 -7.012 -36.724 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.825 -7.898 -38.259 1.00 0.00 H new ATOM 1367 N ASN A 91 2.133 -5.539 -37.699 1.00 0.00 N ATOM 1368 CA ASN A 91 1.056 -6.021 -36.852 1.00 0.00 C ATOM 1369 C ASN A 91 0.523 -7.319 -37.457 1.00 0.00 C ATOM 1370 O ASN A 91 0.163 -7.355 -38.634 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.042 -4.956 -36.756 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.107 -5.310 -35.729 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.933 -6.220 -34.922 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.225 -4.592 -35.755 1.00 0.00 N ATOM 0 H ASN A 91 1.964 -4.632 -38.134 1.00 0.00 H new ATOM 0 HA ASN A 91 1.413 -6.217 -35.841 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.407 -3.998 -36.494 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.510 -4.832 -37.733 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.973 -4.789 -35.091 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.335 -3.844 -36.439 1.00 0.00 H new ATOM 1381 N GLY A 92 0.476 -8.384 -36.657 1.00 0.00 N ATOM 1382 CA GLY A 92 0.017 -9.686 -37.114 1.00 0.00 C ATOM 1383 C GLY A 92 1.118 -10.495 -37.799 1.00 0.00 C ATOM 1384 O GLY A 92 0.833 -11.570 -38.324 1.00 0.00 O ATOM 0 H GLY A 92 0.756 -8.364 -35.676 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.366 -10.250 -36.264 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.813 -9.551 -37.807 1.00 0.00 H new ATOM 1388 N PHE A 93 2.367 -10.008 -37.806 1.00 0.00 N ATOM 1389 CA PHE A 93 3.470 -10.732 -38.425 1.00 0.00 C ATOM 1390 C PHE A 93 3.728 -12.036 -37.668 1.00 0.00 C ATOM 1391 O PHE A 93 4.076 -12.001 -36.489 1.00 0.00 O ATOM 1392 CB PHE A 93 4.722 -9.852 -38.443 1.00 0.00 C ATOM 1393 CG PHE A 93 5.949 -10.518 -39.025 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.279 -10.310 -40.371 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.763 -11.337 -38.225 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.419 -10.916 -40.923 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.902 -11.943 -38.776 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.232 -11.730 -40.122 1.00 0.00 C ATOM 0 H PHE A 93 2.632 -9.116 -37.388 1.00 0.00 H new ATOM 0 HA PHE A 93 3.209 -10.981 -39.454 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.508 -8.950 -39.016 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.944 -9.537 -37.423 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.654 -9.681 -40.987 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.512 -11.500 -37.187 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.669 -10.756 -41.961 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.526 -12.575 -38.162 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.113 -12.193 -40.542 1.00 0.00 H new ATOM 1408 N GLN A 94 3.560 -13.187 -38.321 1.00 0.00 N ATOM 1409 CA GLN A 94 3.730 -14.458 -37.631 1.00 0.00 C ATOM 1410 C GLN A 94 5.205 -14.766 -37.400 1.00 0.00 C ATOM 1411 O GLN A 94 6.009 -14.708 -38.329 1.00 0.00 O ATOM 1412 CB GLN A 94 3.034 -15.586 -38.399 1.00 0.00 C ATOM 1413 CG GLN A 94 3.239 -16.907 -37.645 1.00 0.00 C ATOM 1414 CD GLN A 94 2.373 -18.034 -38.189 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.637 -17.867 -39.159 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.463 -19.204 -37.559 1.00 0.00 N ATOM 0 H GLN A 94 3.311 -13.262 -39.307 1.00 0.00 H new ATOM 0 HA GLN A 94 3.258 -14.380 -36.651 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.970 -15.372 -38.500 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.441 -15.661 -39.407 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.288 -17.197 -37.708 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.012 -16.757 -36.589 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.085 -19.305 -36.757 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.910 -19.999 -37.879 1.00 0.00 H new ATOM 1425 N ILE A 95 5.548 -15.100 -36.155 1.00 0.00 N ATOM 1426 CA ILE A 95 6.884 -15.521 -35.784 1.00 0.00 C ATOM 1427 C ILE A 95 6.754 -16.578 -34.690 1.00 0.00 C ATOM 1428 O ILE A 95 6.206 -16.317 -33.620 1.00 0.00 O ATOM 1429 CB ILE A 95 7.713 -14.297 -35.371 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.173 -14.703 -35.150 1.00 0.00 C ATOM 1431 CG2 ILE A 95 7.165 -13.611 -34.118 1.00 0.00 C ATOM 1432 CD1 ILE A 95 10.054 -13.460 -35.047 1.00 0.00 C ATOM 0 H ILE A 95 4.893 -15.083 -35.373 1.00 0.00 H new ATOM 0 HA ILE A 95 7.419 -15.974 -36.619 1.00 0.00 H new ATOM 0 HB ILE A 95 7.648 -13.576 -36.186 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.260 -15.296 -34.240 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.512 -15.331 -35.973 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.789 -12.752 -33.871 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.144 -13.277 -34.303 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.171 -14.315 -33.286 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.090 -13.760 -34.890 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.979 -12.884 -35.969 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.723 -12.848 -34.208 1.00 0.00 H new ATOM 1444 N GLY A 96 7.255 -17.784 -34.945 1.00 0.00 N ATOM 1445 CA GLY A 96 7.059 -18.884 -34.017 1.00 0.00 C ATOM 1446 C GLY A 96 5.573 -19.227 -33.902 1.00 0.00 C ATOM 1447 O GLY A 96 4.837 -19.173 -34.887 1.00 0.00 O ATOM 0 H GLY A 96 7.794 -18.019 -35.779 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.615 -19.758 -34.356 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.454 -18.616 -33.037 1.00 0.00 H new ATOM 1451 N MET A 97 5.133 -19.577 -32.690 1.00 0.00 N ATOM 1452 CA MET A 97 3.763 -20.000 -32.421 1.00 0.00 C ATOM 1453 C MET A 97 2.796 -18.830 -32.188 1.00 0.00 C ATOM 1454 O MET A 97 1.657 -19.061 -31.784 1.00 0.00 O ATOM 1455 CB MET A 97 3.767 -20.949 -31.219 1.00 0.00 C ATOM 1456 CG MET A 97 4.229 -20.234 -29.946 1.00 0.00 C ATOM 1457 SD MET A 97 4.245 -21.284 -28.468 1.00 0.00 S ATOM 1458 CE MET A 97 5.548 -22.453 -28.940 1.00 0.00 C ATOM 0 H MET A 97 5.728 -19.573 -31.861 1.00 0.00 H new ATOM 0 HA MET A 97 3.394 -20.511 -33.310 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.766 -21.353 -31.069 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.424 -21.794 -31.423 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.232 -19.839 -30.108 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.576 -19.381 -29.765 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.892 -22.991 -28.056 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.154 -23.164 -29.666 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.383 -21.909 -29.381 1.00 0.00 H new ATOM 1468 N LYS A 98 3.224 -17.583 -32.426 1.00 0.00 N ATOM 1469 CA LYS A 98 2.374 -16.418 -32.177 1.00 0.00 C ATOM 1470 C LYS A 98 2.669 -15.315 -33.194 1.00 0.00 C ATOM 1471 O LYS A 98 3.681 -15.361 -33.890 1.00 0.00 O ATOM 1472 CB LYS A 98 2.591 -15.944 -30.733 1.00 0.00 C ATOM 1473 CG LYS A 98 1.428 -15.082 -30.231 1.00 0.00 C ATOM 1474 CD LYS A 98 1.619 -14.738 -28.751 1.00 0.00 C ATOM 1475 CE LYS A 98 0.381 -14.043 -28.174 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.781 -14.955 -28.152 1.00 0.00 N ATOM 0 H LYS A 98 4.150 -17.359 -32.789 1.00 0.00 H new ATOM 0 HA LYS A 98 1.325 -16.686 -32.298 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.708 -16.810 -30.081 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.517 -15.373 -30.674 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.366 -14.166 -30.819 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.487 -15.614 -30.369 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.823 -15.649 -28.188 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.488 -14.091 -28.636 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.594 -13.696 -27.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.144 -13.162 -28.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.507 -14.577 -27.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.175 -15.038 -29.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.480 -15.893 -27.819 1.00 0.00 H new ATOM 1490 N ARG A 99 1.786 -14.316 -33.284 1.00 0.00 N ATOM 1491 CA ARG A 99 1.964 -13.185 -34.188 1.00 0.00 C ATOM 1492 C ARG A 99 2.396 -11.945 -33.413 1.00 0.00 C ATOM 1493 O ARG A 99 1.932 -11.729 -32.296 1.00 0.00 O ATOM 1494 CB ARG A 99 0.671 -12.924 -34.957 1.00 0.00 C ATOM 1495 CG ARG A 99 0.303 -14.111 -35.844 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.000 -13.828 -36.588 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.338 -14.925 -37.502 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.011 -14.967 -38.797 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.325 -13.979 -39.366 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.373 -16.010 -39.536 1.00 0.00 N ATOM 0 H ARG A 99 0.930 -14.272 -32.731 1.00 0.00 H new ATOM 0 HA ARG A 99 2.750 -13.425 -34.904 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.139 -12.728 -34.254 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.785 -12.030 -35.571 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.104 -14.303 -36.558 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.196 -15.009 -35.236 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.808 -13.687 -35.870 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.907 -12.899 -37.150 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.861 -15.713 -37.121 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.039 -13.171 -38.812 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.085 -14.029 -40.356 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.899 -16.776 -39.115 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.125 -16.045 -40.525 1.00 0.00 H new ATOM 1514 N LEU A 100 3.274 -11.128 -33.999 1.00 0.00 N ATOM 1515 CA LEU A 100 3.722 -9.895 -33.373 1.00 0.00 C ATOM 1516 C LEU A 100 2.571 -8.910 -33.235 1.00 0.00 C ATOM 1517 O LEU A 100 1.900 -8.595 -34.216 1.00 0.00 O ATOM 1518 CB LEU A 100 4.838 -9.256 -34.203 1.00 0.00 C ATOM 1519 CG LEU A 100 6.106 -10.111 -34.239 1.00 0.00 C ATOM 1520 CD1 LEU A 100 7.161 -9.392 -35.072 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.653 -10.325 -32.835 1.00 0.00 C ATOM 0 H LEU A 100 3.688 -11.306 -34.914 1.00 0.00 H new ATOM 0 HA LEU A 100 4.100 -10.139 -32.380 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.483 -9.096 -35.221 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.077 -8.276 -33.791 1.00 0.00 H new ATOM 0 HG LEU A 100 5.864 -11.080 -34.674 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.070 -9.992 -35.105 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.787 -9.245 -36.085 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.382 -8.424 -34.623 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.555 -10.936 -32.885 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.892 -9.361 -32.387 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.905 -10.832 -32.226 1.00 0.00 H new ATOM 1533 N LYS A 101 2.346 -8.418 -32.013 1.00 0.00 N ATOM 1534 CA LYS A 101 1.396 -7.341 -31.786 1.00 0.00 C ATOM 1535 C LYS A 101 2.126 -6.014 -31.966 1.00 0.00 C ATOM 1536 O LYS A 101 3.246 -5.864 -31.477 1.00 0.00 O ATOM 1537 CB LYS A 101 0.793 -7.478 -30.388 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.242 -6.381 -30.108 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.603 -6.347 -28.619 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.055 -7.709 -28.085 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.338 -8.132 -28.682 1.00 0.00 N ATOM 0 H LYS A 101 2.812 -8.753 -31.170 1.00 0.00 H new ATOM 0 HA LYS A 101 0.574 -7.385 -32.500 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.323 -8.456 -30.289 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.587 -7.429 -29.643 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.155 -5.413 -30.414 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.139 -6.560 -30.701 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.261 -6.007 -28.048 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.397 -5.618 -28.459 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.290 -8.456 -28.299 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.157 -7.659 -27.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.612 -9.058 -28.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.073 -7.432 -28.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.234 -8.204 -29.714 1.00 0.00 H new ATOM 1555 N VAL A 102 1.504 -5.055 -32.657 1.00 0.00 N ATOM 1556 CA VAL A 102 2.067 -3.722 -32.834 1.00 0.00 C ATOM 1557 C VAL A 102 1.001 -2.681 -32.512 1.00 0.00 C ATOM 1558 O VAL A 102 -0.157 -2.857 -32.885 1.00 0.00 O ATOM 1559 CB VAL A 102 2.647 -3.563 -34.245 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.312 -2.203 -34.436 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.688 -4.646 -34.539 1.00 0.00 C ATOM 0 H VAL A 102 0.598 -5.184 -33.107 1.00 0.00 H new ATOM 0 HA VAL A 102 2.898 -3.572 -32.144 1.00 0.00 H new ATOM 0 HB VAL A 102 1.806 -3.654 -34.932 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.710 -2.131 -35.448 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.577 -1.413 -34.278 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.125 -2.091 -33.718 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.082 -4.508 -35.546 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.502 -4.573 -33.818 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.222 -5.629 -34.463 1.00 0.00 H new ATOM 1571 N GLN A 103 1.378 -1.599 -31.824 1.00 0.00 N ATOM 1572 CA GLN A 103 0.405 -0.630 -31.338 1.00 0.00 C ATOM 1573 C GLN A 103 0.994 0.783 -31.301 1.00 0.00 C ATOM 1574 O GLN A 103 2.210 0.957 -31.324 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.045 -1.085 -29.948 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.243 -0.293 -29.419 1.00 0.00 C ATOM 1577 CD GLN A 103 -1.704 -0.823 -28.067 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -0.764 -1.282 -27.249 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -2.892 -0.819 -27.758 1.00 0.00 N flip ATOM 0 H GLN A 103 2.347 -1.377 -31.594 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.450 -0.585 -32.013 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.303 -2.143 -29.984 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.787 -0.983 -29.251 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.974 0.759 -29.327 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.064 -0.351 -30.134 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.588 -0.459 -28.411 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.183 -1.176 -26.848 1.00 0.00 H new ATOM 1588 N LEU A 104 0.125 1.796 -31.247 1.00 0.00 N ATOM 1589 CA LEU A 104 0.521 3.193 -31.114 1.00 0.00 C ATOM 1590 C LEU A 104 0.761 3.527 -29.637 1.00 0.00 C ATOM 1591 O LEU A 104 0.147 2.930 -28.756 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.596 4.063 -31.704 1.00 0.00 C ATOM 1593 CG LEU A 104 -0.091 5.237 -32.552 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.287 5.887 -33.241 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.597 6.308 -31.712 1.00 0.00 C ATOM 0 H LEU A 104 -0.885 1.663 -31.295 1.00 0.00 H new ATOM 0 HA LEU A 104 1.450 3.384 -31.651 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.244 3.437 -32.318 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.207 4.453 -30.890 1.00 0.00 H new ATOM 0 HG LEU A 104 0.632 4.841 -33.264 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.946 6.725 -33.849 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.782 5.154 -33.878 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.989 6.247 -32.489 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.936 7.117 -32.360 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.106 6.702 -30.978 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.453 5.872 -31.197 1.00 0.00 H new ATOM 1607 N LYS A 105 1.649 4.487 -29.363 1.00 0.00 N ATOM 1608 CA LYS A 105 1.894 5.009 -28.024 1.00 0.00 C ATOM 1609 C LYS A 105 0.608 5.608 -27.451 1.00 0.00 C ATOM 1610 O LYS A 105 -0.218 6.131 -28.200 1.00 0.00 O ATOM 1611 CB LYS A 105 3.010 6.052 -28.135 1.00 0.00 C ATOM 1612 CG LYS A 105 3.289 6.811 -26.835 1.00 0.00 C ATOM 1613 CD LYS A 105 4.248 7.963 -27.140 1.00 0.00 C ATOM 1614 CE LYS A 105 4.495 8.796 -25.887 1.00 0.00 C ATOM 1615 NZ LYS A 105 5.252 10.018 -26.222 1.00 0.00 N ATOM 0 H LYS A 105 2.225 4.928 -30.080 1.00 0.00 H new ATOM 0 HA LYS A 105 2.204 4.218 -27.341 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.926 5.556 -28.457 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.746 6.769 -28.912 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.360 7.194 -26.413 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.725 6.142 -26.092 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.193 7.569 -27.514 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.832 8.592 -27.926 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.544 9.064 -25.428 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.048 8.208 -25.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.442 10.558 -25.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.153 9.756 -26.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.695 10.602 -26.878 1.00 0.00 H new