USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 843 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 93 TYR OH : rot -159:sc= 0.2 USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 50 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.8!) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 136:sc= -0.823 (180deg=-2.42!) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.209 F(o=-0.82,f=-0.21) USER MOD Single : A 40 MET CE :methyl 132:sc= -0.152 (180deg=-1.18) USER MOD Single : A 41 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.4!) USER MOD Single : A 42 ASN : amide:sc= -0.185 K(o=-0.19,f=-0.71) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 0.0177 (180deg=-0.00611) USER MOD Single : A 46 MET CE :methyl 143:sc= -0.314 (180deg=-3.29!) USER MOD Single : A 48 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4.2!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.318 F(o=-1.6,f=-0.32) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.12! C(o=-3.1!,f=-2.8!) USER MOD Single : A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 0.0966 (180deg=0.00216) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.954 F(o=-1.6,f=-0.95) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.16 F(o=-2.2!,f=-1.2) USER MOD Single : A 82 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.031) USER MOD Single : A 85 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-1.5) USER MOD Single : A 87 SER OG : rot -93:sc= 1.38 USER MOD Single : A 91 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot -104:sc= -1! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -69:sc= 0.612 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 115 LYS NZ :NH3+ -134:sc= 0.734 (180deg=-1.09) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.12 F(o=-0.69,f=-0.12) USER MOD Single : A 121 GLN : amide:sc= -0.0125 X(o=-0.012,f=0.0055) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0264 K(o=-0.026,f=-0.59) USER MOD Single : A 132 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 140 GLN : amide:sc= 0.361 X(o=0.36,f=0) USER MOD ----------------------------------------------------------------- ATOM 445 N PHE A 31 1.536 11.736 -4.106 1.00 0.00 N ATOM 446 CA PHE A 31 1.530 11.397 -2.687 1.00 0.00 C ATOM 447 C PHE A 31 0.119 11.483 -2.114 1.00 0.00 C ATOM 448 O PHE A 31 -0.375 10.531 -1.511 1.00 0.00 O ATOM 449 CB PHE A 31 2.465 12.329 -1.914 1.00 0.00 C ATOM 450 CG PHE A 31 2.087 13.779 -2.019 1.00 0.00 C ATOM 451 CD1 PHE A 31 2.338 14.491 -3.181 1.00 0.00 C ATOM 452 CD2 PHE A 31 1.481 14.429 -0.957 1.00 0.00 C ATOM 453 CE1 PHE A 31 1.992 15.826 -3.280 1.00 0.00 C ATOM 454 CE2 PHE A 31 1.132 15.764 -1.050 1.00 0.00 C ATOM 455 CZ PHE A 31 1.387 16.462 -2.214 1.00 0.00 C ATOM 0 HA PHE A 31 1.884 10.371 -2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.468 12.038 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.482 12.199 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.809 13.998 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.278 13.887 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.195 16.371 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.661 16.260 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.114 17.504 -2.290 1.00 0.00 H new ATOM 465 N GLU A 32 -0.523 12.631 -2.306 1.00 0.00 N ATOM 466 CA GLU A 32 -1.876 12.842 -1.806 1.00 0.00 C ATOM 467 C GLU A 32 -2.787 11.682 -2.197 1.00 0.00 C ATOM 468 O GLU A 32 -3.596 11.215 -1.394 1.00 0.00 O ATOM 469 CB GLU A 32 -2.444 14.156 -2.347 1.00 0.00 C ATOM 470 CG GLU A 32 -2.483 14.223 -3.864 1.00 0.00 C ATOM 471 CD GLU A 32 -3.319 15.380 -4.376 1.00 0.00 C ATOM 472 OE1 GLU A 32 -4.502 15.476 -3.987 1.00 0.00 O ATOM 473 OE2 GLU A 32 -2.790 16.191 -5.165 1.00 0.00 O ATOM 0 H GLU A 32 -0.128 13.429 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.830 12.895 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.454 14.292 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.843 14.984 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.466 14.317 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.885 13.288 -4.255 1.00 0.00 H new ATOM 480 N THR A 33 -2.650 11.221 -3.436 1.00 0.00 N ATOM 481 CA THR A 33 -3.461 10.118 -3.935 1.00 0.00 C ATOM 482 C THR A 33 -3.453 8.945 -2.961 1.00 0.00 C ATOM 483 O THR A 33 -4.504 8.501 -2.501 1.00 0.00 O ATOM 484 CB THR A 33 -2.964 9.632 -5.310 1.00 0.00 C ATOM 485 OG1 THR A 33 -3.015 10.705 -6.256 1.00 0.00 O ATOM 486 CG2 THR A 33 -3.806 8.468 -5.810 1.00 0.00 C ATOM 0 H THR A 33 -1.985 11.595 -4.113 1.00 0.00 H new ATOM 0 HA THR A 33 -4.479 10.495 -4.037 1.00 0.00 H new ATOM 0 HB THR A 33 -1.934 9.293 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.696 10.389 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.436 8.142 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.742 7.642 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.845 8.785 -5.905 1.00 0.00 H new ATOM 494 N ALA A 34 -2.260 8.448 -2.651 1.00 0.00 N ATOM 495 CA ALA A 34 -2.116 7.328 -1.729 1.00 0.00 C ATOM 496 C ALA A 34 -3.095 7.445 -0.566 1.00 0.00 C ATOM 497 O ALA A 34 -3.936 6.570 -0.359 1.00 0.00 O ATOM 498 CB ALA A 34 -0.686 7.251 -1.213 1.00 0.00 C ATOM 0 H ALA A 34 -1.380 8.803 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.345 6.411 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.592 6.410 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.004 7.112 -2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.437 8.175 -0.692 1.00 0.00 H new ATOM 504 N LYS A 35 -2.979 8.530 0.192 1.00 0.00 N ATOM 505 CA LYS A 35 -3.854 8.762 1.335 1.00 0.00 C ATOM 506 C LYS A 35 -5.317 8.784 0.904 1.00 0.00 C ATOM 507 O LYS A 35 -6.162 8.127 1.512 1.00 0.00 O ATOM 508 CB LYS A 35 -3.493 10.082 2.020 1.00 0.00 C ATOM 509 CG LYS A 35 -2.090 10.103 2.600 1.00 0.00 C ATOM 510 CD LYS A 35 -1.747 11.464 3.182 1.00 0.00 C ATOM 511 CE LYS A 35 -1.532 12.500 2.090 1.00 0.00 C ATOM 512 NZ LYS A 35 -2.799 13.194 1.727 1.00 0.00 N ATOM 0 H LYS A 35 -2.287 9.263 0.035 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.714 7.943 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.591 10.894 1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.210 10.275 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.005 9.343 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.370 9.847 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.550 11.791 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.847 11.384 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.799 13.234 2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.117 12.015 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.623 14.215 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.150 12.824 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.510 13.028 2.467 1.00 0.00 H new ATOM 526 N GLU A 36 -5.609 9.542 -0.148 1.00 0.00 N ATOM 527 CA GLU A 36 -6.970 9.648 -0.659 1.00 0.00 C ATOM 528 C GLU A 36 -7.588 8.265 -0.852 1.00 0.00 C ATOM 529 O GLU A 36 -8.672 7.981 -0.341 1.00 0.00 O ATOM 530 CB GLU A 36 -6.984 10.414 -1.984 1.00 0.00 C ATOM 531 CG GLU A 36 -7.033 11.923 -1.814 1.00 0.00 C ATOM 532 CD GLU A 36 -8.431 12.432 -1.520 1.00 0.00 C ATOM 533 OE1 GLU A 36 -9.311 12.288 -2.393 1.00 0.00 O ATOM 534 OE2 GLU A 36 -8.644 12.974 -0.415 1.00 0.00 O ATOM 0 H GLU A 36 -4.921 10.092 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.564 10.194 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.095 10.150 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.846 10.095 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.366 12.215 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.660 12.399 -2.721 1.00 0.00 H new ATOM 541 N CYS A 37 -6.891 7.411 -1.593 1.00 0.00 N ATOM 542 CA CYS A 37 -7.370 6.059 -1.855 1.00 0.00 C ATOM 543 C CYS A 37 -7.706 5.339 -0.553 1.00 0.00 C ATOM 544 O CYS A 37 -8.769 4.734 -0.422 1.00 0.00 O ATOM 545 CB CYS A 37 -6.320 5.265 -2.634 1.00 0.00 C ATOM 546 SG CYS A 37 -6.881 3.635 -3.180 1.00 0.00 S ATOM 0 H CYS A 37 -5.993 7.631 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.278 6.132 -2.454 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.016 5.844 -3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.436 5.142 -2.009 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.924 3.042 -3.831 1.00 0.00 H new ATOM 552 N GLY A 38 -6.790 5.407 0.408 1.00 0.00 N ATOM 553 CA GLY A 38 -7.006 4.756 1.687 1.00 0.00 C ATOM 554 C GLY A 38 -8.367 5.073 2.276 1.00 0.00 C ATOM 555 O GLY A 38 -8.995 4.216 2.897 1.00 0.00 O ATOM 0 H GLY A 38 -5.902 5.901 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.909 3.677 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.230 5.068 2.386 1.00 0.00 H new ATOM 559 N GLN A 39 -8.821 6.307 2.082 1.00 0.00 N ATOM 560 CA GLN A 39 -10.115 6.734 2.601 1.00 0.00 C ATOM 561 C GLN A 39 -11.251 6.209 1.730 1.00 0.00 C ATOM 562 O GLN A 39 -12.080 5.421 2.184 1.00 0.00 O ATOM 563 CB GLN A 39 -10.178 8.261 2.677 1.00 0.00 C ATOM 564 CG GLN A 39 -9.461 8.840 3.886 1.00 0.00 C ATOM 565 CD GLN A 39 -9.413 10.355 3.865 1.00 0.00 C ATOM 566 OE1 GLN A 39 -8.302 10.906 3.391 1.00 0.00 O flip ATOM 567 NE2 GLN A 39 -10.364 11.024 4.271 1.00 0.00 N flip ATOM 0 H GLN A 39 -8.313 7.028 1.570 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.231 6.322 3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.741 8.680 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.222 8.573 2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.963 8.509 4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.444 8.448 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.199 10.559 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.316 12.043 4.251 1.00 0.00 H new ATOM 576 N MET A 40 -11.284 6.652 0.477 1.00 0.00 N ATOM 577 CA MET A 40 -12.319 6.225 -0.457 1.00 0.00 C ATOM 578 C MET A 40 -12.502 4.712 -0.411 1.00 0.00 C ATOM 579 O MET A 40 -13.628 4.214 -0.419 1.00 0.00 O ATOM 580 CB MET A 40 -11.964 6.664 -1.879 1.00 0.00 C ATOM 581 CG MET A 40 -11.151 5.636 -2.648 1.00 0.00 C ATOM 582 SD MET A 40 -10.957 6.064 -4.389 1.00 0.00 S ATOM 583 CE MET A 40 -10.058 7.608 -4.259 1.00 0.00 C ATOM 0 H MET A 40 -10.606 7.306 0.086 1.00 0.00 H new ATOM 0 HA MET A 40 -13.257 6.696 -0.162 1.00 0.00 H new ATOM 0 HB2 MET A 40 -12.883 6.871 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 40 -11.403 7.598 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.167 5.540 -2.190 1.00 0.00 H new ATOM 0 HG3 MET A 40 -11.635 4.663 -2.569 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.206 7.591 -4.939 1.00 0.00 H new ATOM 0 HE2 MET A 40 -10.716 8.436 -4.523 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.704 7.738 -3.236 1.00 0.00 H new ATOM 593 N GLN A 41 -11.390 3.986 -0.362 1.00 0.00 N ATOM 594 CA GLN A 41 -11.430 2.529 -0.315 1.00 0.00 C ATOM 595 C GLN A 41 -11.600 2.035 1.117 1.00 0.00 C ATOM 596 O GLN A 41 -12.028 0.905 1.348 1.00 0.00 O ATOM 597 CB GLN A 41 -10.154 1.943 -0.921 1.00 0.00 C ATOM 598 CG GLN A 41 -10.067 2.105 -2.430 1.00 0.00 C ATOM 599 CD GLN A 41 -10.727 0.963 -3.178 1.00 0.00 C ATOM 600 OE1 GLN A 41 -10.422 -0.207 -2.943 1.00 0.00 O ATOM 601 NE2 GLN A 41 -11.637 1.297 -4.085 1.00 0.00 N ATOM 0 H GLN A 41 -10.450 4.383 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.288 2.195 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.290 2.423 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.098 0.883 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.539 3.044 -2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.020 2.170 -2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.859 2.279 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.114 0.571 -4.620 1.00 0.00 H new ATOM 610 N ASN A 42 -11.263 2.890 2.077 1.00 0.00 N ATOM 611 CA ASN A 42 -11.377 2.539 3.488 1.00 0.00 C ATOM 612 C ASN A 42 -10.370 1.457 3.863 1.00 0.00 C ATOM 613 O ASN A 42 -10.708 0.487 4.543 1.00 0.00 O ATOM 614 CB ASN A 42 -12.797 2.062 3.803 1.00 0.00 C ATOM 615 CG ASN A 42 -13.857 2.973 3.214 1.00 0.00 C ATOM 616 OD1 ASN A 42 -13.985 4.132 3.610 1.00 0.00 O ATOM 617 ND2 ASN A 42 -14.622 2.452 2.263 1.00 0.00 N ATOM 0 H ASN A 42 -10.909 3.831 1.904 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.161 3.430 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.933 1.053 3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.928 2.008 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.352 3.017 1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.480 1.487 1.966 1.00 0.00 H new ATOM 624 N LYS A 43 -9.131 1.629 3.416 1.00 0.00 N ATOM 625 CA LYS A 43 -8.072 0.669 3.705 1.00 0.00 C ATOM 626 C LYS A 43 -6.822 1.375 4.219 1.00 0.00 C ATOM 627 O LYS A 43 -6.692 2.593 4.096 1.00 0.00 O ATOM 628 CB LYS A 43 -7.734 -0.142 2.452 1.00 0.00 C ATOM 629 CG LYS A 43 -8.880 -1.009 1.960 1.00 0.00 C ATOM 630 CD LYS A 43 -8.844 -1.179 0.451 1.00 0.00 C ATOM 631 CE LYS A 43 -10.221 -1.502 -0.107 1.00 0.00 C ATOM 632 NZ LYS A 43 -10.720 -2.819 0.377 1.00 0.00 N ATOM 0 H LYS A 43 -8.835 2.425 2.851 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.431 -0.006 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.439 0.542 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.873 -0.777 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.828 -1.987 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.829 -0.560 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.469 -0.265 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.148 -1.977 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.923 -0.719 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.180 -1.507 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.329 -3.247 -0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.913 -3.447 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.266 -2.683 1.251 1.00 0.00 H new ATOM 646 N TRP A 44 -5.906 0.604 4.793 1.00 0.00 N ATOM 647 CA TRP A 44 -4.666 1.157 5.324 1.00 0.00 C ATOM 648 C TRP A 44 -3.686 1.474 4.200 1.00 0.00 C ATOM 649 O TRP A 44 -3.797 0.939 3.096 1.00 0.00 O ATOM 650 CB TRP A 44 -4.028 0.178 6.312 1.00 0.00 C ATOM 651 CG TRP A 44 -4.861 -0.056 7.536 1.00 0.00 C ATOM 652 CD1 TRP A 44 -5.436 -1.233 7.923 1.00 0.00 C ATOM 653 CD2 TRP A 44 -5.213 0.910 8.532 1.00 0.00 C ATOM 654 NE1 TRP A 44 -6.124 -1.056 9.099 1.00 0.00 N ATOM 655 CE2 TRP A 44 -6.002 0.250 9.493 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.936 2.269 8.706 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -6.517 0.903 10.610 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -5.448 2.916 9.814 1.00 0.00 C ATOM 659 CH2 TRP A 44 -6.230 2.234 10.755 1.00 0.00 C ATOM 0 H TRP A 44 -5.999 -0.406 4.903 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.905 2.084 5.845 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.857 -0.774 5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.052 0.560 6.612 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.361 -2.166 7.384 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.642 -1.780 9.598 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.333 2.804 7.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.121 0.379 11.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.242 3.966 9.957 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.614 2.768 11.611 1.00 0.00 H new ATOM 670 N LEU A 45 -2.726 2.347 4.486 1.00 0.00 N ATOM 671 CA LEU A 45 -1.725 2.735 3.498 1.00 0.00 C ATOM 672 C LEU A 45 -0.388 2.059 3.783 1.00 0.00 C ATOM 673 O LEU A 45 -0.069 1.751 4.931 1.00 0.00 O ATOM 674 CB LEU A 45 -1.550 4.255 3.491 1.00 0.00 C ATOM 675 CG LEU A 45 -0.432 4.797 2.600 1.00 0.00 C ATOM 676 CD1 LEU A 45 -0.757 4.563 1.133 1.00 0.00 C ATOM 677 CD2 LEU A 45 -0.207 6.278 2.868 1.00 0.00 C ATOM 0 H LEU A 45 -2.620 2.800 5.394 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.073 2.411 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.490 4.708 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.365 4.584 4.513 1.00 0.00 H new ATOM 0 HG LEU A 45 0.487 4.261 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.050 4.955 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.867 3.494 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.687 5.072 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.592 6.647 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.124 6.829 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.072 6.421 3.912 1.00 0.00 H new ATOM 689 N MET A 46 0.391 1.833 2.731 1.00 0.00 N ATOM 690 CA MET A 46 1.696 1.197 2.869 1.00 0.00 C ATOM 691 C MET A 46 2.693 1.778 1.871 1.00 0.00 C ATOM 692 O MET A 46 2.594 1.536 0.668 1.00 0.00 O ATOM 693 CB MET A 46 1.575 -0.315 2.664 1.00 0.00 C ATOM 694 CG MET A 46 2.598 -1.119 3.449 1.00 0.00 C ATOM 695 SD MET A 46 2.286 -2.893 3.383 1.00 0.00 S ATOM 696 CE MET A 46 1.616 -3.181 5.019 1.00 0.00 C ATOM 0 H MET A 46 0.142 2.081 1.773 1.00 0.00 H new ATOM 0 HA MET A 46 2.062 1.392 3.877 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.574 -0.634 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.685 -0.539 1.603 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.594 -0.914 3.056 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.592 -0.791 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.825 -3.928 4.962 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.407 -3.539 5.678 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.208 -2.251 5.414 1.00 0.00 H new ATOM 706 N ILE A 47 3.652 2.546 2.379 1.00 0.00 N ATOM 707 CA ILE A 47 4.666 3.160 1.531 1.00 0.00 C ATOM 708 C ILE A 47 5.999 2.429 1.651 1.00 0.00 C ATOM 709 O ILE A 47 6.364 1.955 2.725 1.00 0.00 O ATOM 710 CB ILE A 47 4.874 4.644 1.888 1.00 0.00 C ATOM 711 CG1 ILE A 47 3.575 5.427 1.684 1.00 0.00 C ATOM 712 CG2 ILE A 47 5.995 5.239 1.049 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.513 6.711 2.481 1.00 0.00 C ATOM 0 H ILE A 47 3.748 2.757 3.372 1.00 0.00 H new ATOM 0 HA ILE A 47 4.306 3.088 0.505 1.00 0.00 H new ATOM 0 HB ILE A 47 5.157 4.713 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.463 5.660 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.732 4.795 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.130 6.288 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.920 4.695 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.739 5.161 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.565 7.214 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.593 6.484 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.336 7.362 2.186 1.00 0.00 H new ATOM 725 N ASN A 48 6.722 2.342 0.539 1.00 0.00 N ATOM 726 CA ASN A 48 8.016 1.670 0.519 1.00 0.00 C ATOM 727 C ASN A 48 8.949 2.315 -0.502 1.00 0.00 C ATOM 728 O ASN A 48 8.563 2.553 -1.647 1.00 0.00 O ATOM 729 CB ASN A 48 7.837 0.185 0.195 1.00 0.00 C ATOM 730 CG ASN A 48 9.126 -0.599 0.348 1.00 0.00 C ATOM 731 OD1 ASN A 48 9.237 -1.468 1.213 1.00 0.00 O ATOM 732 ND2 ASN A 48 10.107 -0.295 -0.493 1.00 0.00 N ATOM 0 H ASN A 48 6.434 2.728 -0.360 1.00 0.00 H new ATOM 0 HA ASN A 48 8.464 1.769 1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.077 -0.238 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.470 0.080 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.998 -0.789 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.970 0.433 -1.194 1.00 0.00 H new ATOM 739 N ILE A 49 10.176 2.596 -0.078 1.00 0.00 N ATOM 740 CA ILE A 49 11.164 3.212 -0.955 1.00 0.00 C ATOM 741 C ILE A 49 12.032 2.157 -1.632 1.00 0.00 C ATOM 742 O ILE A 49 12.535 1.242 -0.981 1.00 0.00 O ATOM 743 CB ILE A 49 12.072 4.188 -0.182 1.00 0.00 C ATOM 744 CG1 ILE A 49 11.229 5.248 0.530 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.069 4.843 -1.126 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.548 6.213 -0.415 1.00 0.00 C ATOM 0 H ILE A 49 10.510 2.407 0.867 1.00 0.00 H new ATOM 0 HA ILE A 49 10.611 3.766 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 49 12.627 3.627 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.472 4.751 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.867 5.810 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.703 5.530 -0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.687 4.076 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.531 5.394 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.968 6.936 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.300 6.737 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.884 5.662 -1.081 1.00 0.00 H new ATOM 758 N GLN A 50 12.204 2.293 -2.943 1.00 0.00 N ATOM 759 CA GLN A 50 13.012 1.351 -3.709 1.00 0.00 C ATOM 760 C GLN A 50 14.349 1.973 -4.099 1.00 0.00 C ATOM 761 O GLN A 50 14.400 3.096 -4.598 1.00 0.00 O ATOM 762 CB GLN A 50 12.259 0.903 -4.963 1.00 0.00 C ATOM 763 CG GLN A 50 13.173 0.494 -6.107 1.00 0.00 C ATOM 764 CD GLN A 50 12.406 0.104 -7.355 1.00 0.00 C ATOM 765 OE1 GLN A 50 11.324 0.627 -7.622 1.00 0.00 O ATOM 766 NE2 GLN A 50 12.964 -0.820 -8.128 1.00 0.00 N ATOM 0 H GLN A 50 11.795 3.046 -3.497 1.00 0.00 H new ATOM 0 HA GLN A 50 13.206 0.482 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.612 0.064 -4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.612 1.714 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.846 1.318 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.794 -0.344 -5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.862 -1.227 -7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.494 -1.123 -8.981 1.00 0.00 H new ATOM 775 N ASN A 51 15.429 1.234 -3.867 1.00 0.00 N ATOM 776 CA ASN A 51 16.767 1.714 -4.193 1.00 0.00 C ATOM 777 C ASN A 51 17.072 1.511 -5.674 1.00 0.00 C ATOM 778 O ASN A 51 16.588 0.564 -6.295 1.00 0.00 O ATOM 779 CB ASN A 51 17.813 0.991 -3.342 1.00 0.00 C ATOM 780 CG ASN A 51 17.892 1.542 -1.931 1.00 0.00 C ATOM 781 OD1 ASN A 51 17.974 0.649 -0.952 1.00 0.00 O flip ATOM 782 ND2 ASN A 51 17.879 2.755 -1.726 1.00 0.00 N flip ATOM 0 H ASN A 51 15.404 0.301 -3.455 1.00 0.00 H new ATOM 0 HA ASN A 51 16.806 2.781 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 51 17.573 -0.071 -3.301 1.00 0.00 H new ATOM 0 HB3 ASN A 51 18.789 1.079 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.815 3.404 -2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.933 3.112 -0.772 1.00 0.00 H new ATOM 789 N VAL A 52 17.878 2.406 -6.236 1.00 0.00 N ATOM 790 CA VAL A 52 18.249 2.324 -7.643 1.00 0.00 C ATOM 791 C VAL A 52 19.682 1.830 -7.806 1.00 0.00 C ATOM 792 O VAL A 52 20.012 1.168 -8.789 1.00 0.00 O ATOM 793 CB VAL A 52 18.107 3.690 -8.341 1.00 0.00 C ATOM 794 CG1 VAL A 52 18.958 4.739 -7.642 1.00 0.00 C ATOM 795 CG2 VAL A 52 18.485 3.579 -9.811 1.00 0.00 C ATOM 0 H VAL A 52 18.287 3.197 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 52 17.567 1.613 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 52 17.065 4.003 -8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.844 5.697 -8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.636 4.837 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.005 4.436 -7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 52 18.379 4.553 -10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.519 3.244 -9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.829 2.861 -10.302 1.00 0.00 H new ATOM 892 N CYS A 59 17.417 -7.397 -1.999 1.00 0.00 N ATOM 893 CA CYS A 59 17.295 -8.556 -1.122 1.00 0.00 C ATOM 894 C CYS A 59 15.884 -8.660 -0.551 1.00 0.00 C ATOM 895 O CYS A 59 15.243 -9.708 -0.639 1.00 0.00 O ATOM 896 CB CYS A 59 18.313 -8.471 0.016 1.00 0.00 C ATOM 897 SG CYS A 59 18.486 -9.998 0.968 1.00 0.00 S ATOM 0 HA CYS A 59 17.496 -9.450 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 59 19.284 -8.203 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.021 -7.666 0.691 1.00 0.00 H new ATOM 0 HG CYS A 59 19.370 -9.827 1.905 1.00 0.00 H new ATOM 903 N LEU A 60 15.407 -7.567 0.034 1.00 0.00 N ATOM 904 CA LEU A 60 14.072 -7.534 0.621 1.00 0.00 C ATOM 905 C LEU A 60 13.011 -7.886 -0.417 1.00 0.00 C ATOM 906 O LEU A 60 12.382 -8.940 -0.344 1.00 0.00 O ATOM 907 CB LEU A 60 13.786 -6.152 1.211 1.00 0.00 C ATOM 908 CG LEU A 60 14.196 -5.947 2.670 1.00 0.00 C ATOM 909 CD1 LEU A 60 14.608 -4.503 2.911 1.00 0.00 C ATOM 910 CD2 LEU A 60 13.062 -6.343 3.604 1.00 0.00 C ATOM 0 H LEU A 60 15.925 -6.692 0.115 1.00 0.00 H new ATOM 0 HA LEU A 60 14.035 -8.277 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.298 -5.406 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.717 -5.956 1.124 1.00 0.00 H new ATOM 0 HG LEU A 60 15.053 -6.588 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.896 -4.376 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.452 -4.253 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.771 -3.843 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.372 -6.190 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.186 -5.729 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.814 -7.393 3.451 1.00 0.00 H new ATOM 922 N ASN A 61 12.821 -6.995 -1.386 1.00 0.00 N ATOM 923 CA ASN A 61 11.838 -7.212 -2.441 1.00 0.00 C ATOM 924 C ASN A 61 12.019 -8.586 -3.079 1.00 0.00 C ATOM 925 O ASN A 61 11.088 -9.136 -3.667 1.00 0.00 O ATOM 926 CB ASN A 61 11.957 -6.122 -3.509 1.00 0.00 C ATOM 927 CG ASN A 61 10.733 -6.053 -4.402 1.00 0.00 C ATOM 928 OD1 ASN A 61 10.383 -7.026 -5.071 1.00 0.00 O ATOM 929 ND2 ASN A 61 10.077 -4.899 -4.417 1.00 0.00 N ATOM 0 H ASN A 61 13.335 -6.117 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 61 10.845 -7.167 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.105 -5.157 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.840 -6.311 -4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.246 -4.792 -4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.403 -4.119 -3.846 1.00 0.00 H new ATOM 936 N ARG A 62 13.223 -9.135 -2.958 1.00 0.00 N ATOM 937 CA ARG A 62 13.527 -10.444 -3.522 1.00 0.00 C ATOM 938 C ARG A 62 12.395 -11.430 -3.248 1.00 0.00 C ATOM 939 O ARG A 62 11.764 -11.940 -4.174 1.00 0.00 O ATOM 940 CB ARG A 62 14.837 -10.982 -2.944 1.00 0.00 C ATOM 941 CG ARG A 62 15.530 -11.993 -3.843 1.00 0.00 C ATOM 942 CD ARG A 62 16.768 -12.574 -3.177 1.00 0.00 C ATOM 943 NE ARG A 62 16.433 -13.628 -2.224 1.00 0.00 N ATOM 944 CZ ARG A 62 16.073 -14.856 -2.583 1.00 0.00 C ATOM 945 NH1 ARG A 62 16.002 -15.181 -3.866 1.00 0.00 N ATOM 946 NH2 ARG A 62 15.783 -15.760 -1.656 1.00 0.00 N ATOM 0 H ARG A 62 14.004 -8.693 -2.474 1.00 0.00 H new ATOM 0 HA ARG A 62 13.634 -10.330 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.514 -10.147 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.635 -11.446 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.837 -12.797 -4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.811 -11.515 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.436 -12.974 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.310 -11.780 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 62 16.478 -13.410 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.224 -14.488 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.725 -16.124 -4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.836 -15.512 -0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.507 -16.702 -1.931 1.00 0.00 H new ATOM 960 N ASP A 63 12.144 -11.694 -1.970 1.00 0.00 N ATOM 961 CA ASP A 63 11.088 -12.618 -1.573 1.00 0.00 C ATOM 962 C ASP A 63 10.021 -11.903 -0.751 1.00 0.00 C ATOM 963 O ASP A 63 8.848 -12.277 -0.777 1.00 0.00 O ATOM 964 CB ASP A 63 11.674 -13.781 -0.771 1.00 0.00 C ATOM 965 CG ASP A 63 12.216 -14.883 -1.660 1.00 0.00 C ATOM 966 OD1 ASP A 63 12.964 -14.565 -2.609 1.00 0.00 O ATOM 967 OD2 ASP A 63 11.893 -16.063 -1.408 1.00 0.00 O ATOM 0 H ASP A 63 12.658 -11.281 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 63 10.622 -13.009 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.473 -13.410 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.905 -14.191 -0.117 1.00 0.00 H new ATOM 972 N VAL A 64 10.435 -10.873 -0.020 1.00 0.00 N ATOM 973 CA VAL A 64 9.515 -10.105 0.811 1.00 0.00 C ATOM 974 C VAL A 64 8.423 -9.458 -0.033 1.00 0.00 C ATOM 975 O VAL A 64 7.256 -9.841 0.044 1.00 0.00 O ATOM 976 CB VAL A 64 10.254 -9.010 1.602 1.00 0.00 C ATOM 977 CG1 VAL A 64 9.282 -8.239 2.482 1.00 0.00 C ATOM 978 CG2 VAL A 64 11.372 -9.619 2.436 1.00 0.00 C ATOM 0 H VAL A 64 11.402 -10.551 0.014 1.00 0.00 H new ATOM 0 HA VAL A 64 9.061 -10.805 1.512 1.00 0.00 H new ATOM 0 HB VAL A 64 10.698 -8.311 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.822 -7.469 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.520 -7.771 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.807 -8.923 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.884 -8.831 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.952 -10.340 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.082 -10.123 1.780 1.00 0.00 H new ATOM 988 N TRP A 65 8.810 -8.475 -0.838 1.00 0.00 N ATOM 989 CA TRP A 65 7.864 -7.774 -1.698 1.00 0.00 C ATOM 990 C TRP A 65 7.656 -8.526 -3.008 1.00 0.00 C ATOM 991 O TRP A 65 7.155 -7.967 -3.983 1.00 0.00 O ATOM 992 CB TRP A 65 8.357 -6.354 -1.983 1.00 0.00 C ATOM 993 CG TRP A 65 8.882 -5.652 -0.768 1.00 0.00 C ATOM 994 CD1 TRP A 65 10.135 -5.138 -0.595 1.00 0.00 C ATOM 995 CD2 TRP A 65 8.168 -5.389 0.445 1.00 0.00 C ATOM 996 NE1 TRP A 65 10.244 -4.571 0.652 1.00 0.00 N ATOM 997 CE2 TRP A 65 9.050 -4.711 1.309 1.00 0.00 C ATOM 998 CE3 TRP A 65 6.869 -5.657 0.884 1.00 0.00 C ATOM 999 CZ2 TRP A 65 8.673 -4.301 2.585 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 6.496 -5.250 2.151 1.00 0.00 C ATOM 1001 CH2 TRP A 65 7.395 -4.577 2.989 1.00 0.00 C ATOM 0 H TRP A 65 9.772 -8.145 -0.913 1.00 0.00 H new ATOM 0 HA TRP A 65 6.908 -7.722 -1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.142 -6.395 -2.738 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.539 -5.771 -2.405 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.925 -5.172 -1.331 1.00 0.00 H new ATOM 0 HE1 TRP A 65 11.078 -4.119 1.027 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.168 -6.173 0.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 9.365 -3.783 3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.495 -5.454 2.501 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.073 -4.270 3.973 1.00 0.00 H new ATOM 1012 N SER A 66 8.046 -9.797 -3.023 1.00 0.00 N ATOM 1013 CA SER A 66 7.906 -10.625 -4.215 1.00 0.00 C ATOM 1014 C SER A 66 6.817 -11.676 -4.021 1.00 0.00 C ATOM 1015 O SER A 66 6.080 -12.001 -4.951 1.00 0.00 O ATOM 1016 CB SER A 66 9.234 -11.306 -4.548 1.00 0.00 C ATOM 1017 OG SER A 66 9.061 -12.307 -5.536 1.00 0.00 O ATOM 0 H SER A 66 8.461 -10.275 -2.223 1.00 0.00 H new ATOM 0 HA SER A 66 7.620 -9.979 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.949 -10.563 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.655 -11.750 -3.646 1.00 0.00 H new ATOM 0 HG SER A 66 9.938 -12.614 -5.847 1.00 0.00 H new ATOM 1023 N ASN A 67 6.723 -12.204 -2.805 1.00 0.00 N ATOM 1024 CA ASN A 67 5.725 -13.220 -2.488 1.00 0.00 C ATOM 1025 C ASN A 67 4.330 -12.758 -2.899 1.00 0.00 C ATOM 1026 O ASN A 67 3.883 -11.680 -2.510 1.00 0.00 O ATOM 1027 CB ASN A 67 5.749 -13.539 -0.992 1.00 0.00 C ATOM 1028 CG ASN A 67 5.279 -14.949 -0.694 1.00 0.00 C ATOM 1029 OD1 ASN A 67 4.251 -15.394 -1.206 1.00 0.00 O ATOM 1030 ND2 ASN A 67 6.030 -15.660 0.139 1.00 0.00 N ATOM 0 H ASN A 67 7.325 -11.946 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 67 5.970 -14.122 -3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.762 -13.409 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.116 -12.828 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.763 -16.615 0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.874 -15.251 0.540 1.00 0.00 H new ATOM 1037 N GLU A 68 3.647 -13.583 -3.686 1.00 0.00 N ATOM 1038 CA GLU A 68 2.303 -13.259 -4.149 1.00 0.00 C ATOM 1039 C GLU A 68 1.387 -12.932 -2.974 1.00 0.00 C ATOM 1040 O GLU A 68 0.691 -11.917 -2.979 1.00 0.00 O ATOM 1041 CB GLU A 68 1.722 -14.424 -4.954 1.00 0.00 C ATOM 1042 CG GLU A 68 0.539 -14.032 -5.824 1.00 0.00 C ATOM 1043 CD GLU A 68 -0.187 -15.234 -6.396 1.00 0.00 C ATOM 1044 OE1 GLU A 68 -0.142 -16.310 -5.764 1.00 0.00 O ATOM 1045 OE2 GLU A 68 -0.801 -15.099 -7.475 1.00 0.00 O ATOM 0 H GLU A 68 4.002 -14.480 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 68 2.370 -12.381 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.504 -14.844 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.412 -15.211 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.159 -13.437 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.887 -13.400 -6.641 1.00 0.00 H new ATOM 1052 N ALA A 69 1.392 -13.800 -1.967 1.00 0.00 N ATOM 1053 CA ALA A 69 0.564 -13.604 -0.784 1.00 0.00 C ATOM 1054 C ALA A 69 0.723 -12.192 -0.231 1.00 0.00 C ATOM 1055 O ALA A 69 -0.262 -11.491 0.002 1.00 0.00 O ATOM 1056 CB ALA A 69 0.912 -14.633 0.281 1.00 0.00 C ATOM 0 H ALA A 69 1.961 -14.646 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.478 -13.737 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.286 -14.474 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.740 -15.635 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.961 -14.528 0.560 1.00 0.00 H new ATOM 1062 N VAL A 70 1.970 -11.780 -0.021 1.00 0.00 N ATOM 1063 CA VAL A 70 2.258 -10.452 0.505 1.00 0.00 C ATOM 1064 C VAL A 70 1.586 -9.371 -0.334 1.00 0.00 C ATOM 1065 O VAL A 70 0.954 -8.458 0.199 1.00 0.00 O ATOM 1066 CB VAL A 70 3.774 -10.183 0.550 1.00 0.00 C ATOM 1067 CG1 VAL A 70 4.049 -8.751 0.985 1.00 0.00 C ATOM 1068 CG2 VAL A 70 4.463 -11.172 1.477 1.00 0.00 C ATOM 0 H VAL A 70 2.797 -12.348 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 70 1.860 -10.420 1.519 1.00 0.00 H new ATOM 0 HB VAL A 70 4.180 -10.317 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.125 -8.579 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.588 -8.061 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.631 -8.586 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.533 -10.967 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.056 -11.072 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.294 -12.187 1.117 1.00 0.00 H new ATOM 1078 N LYS A 71 1.725 -9.479 -1.651 1.00 0.00 N ATOM 1079 CA LYS A 71 1.130 -8.513 -2.566 1.00 0.00 C ATOM 1080 C LYS A 71 -0.390 -8.510 -2.441 1.00 0.00 C ATOM 1081 O LYS A 71 -0.996 -7.481 -2.144 1.00 0.00 O ATOM 1082 CB LYS A 71 1.533 -8.829 -4.008 1.00 0.00 C ATOM 1083 CG LYS A 71 2.923 -8.336 -4.373 1.00 0.00 C ATOM 1084 CD LYS A 71 3.354 -8.845 -5.738 1.00 0.00 C ATOM 1085 CE LYS A 71 4.840 -8.621 -5.972 1.00 0.00 C ATOM 1086 NZ LYS A 71 5.393 -9.570 -6.978 1.00 0.00 N ATOM 0 H LYS A 71 2.245 -10.227 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 71 1.501 -7.523 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.487 -9.907 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.807 -8.380 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.936 -7.246 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.637 -8.666 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.128 -9.908 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.782 -8.337 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.004 -7.598 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.377 -8.736 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.227 -9.147 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.668 -10.455 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.671 -9.772 -7.698 1.00 0.00 H new ATOM 1100 N ASN A 72 -1.001 -9.668 -2.669 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.451 -9.799 -2.581 1.00 0.00 C ATOM 1102 C ASN A 72 -2.979 -9.148 -1.307 1.00 0.00 C ATOM 1103 O ASN A 72 -4.109 -8.660 -1.269 1.00 0.00 O ATOM 1104 CB ASN A 72 -2.854 -11.274 -2.618 1.00 0.00 C ATOM 1105 CG ASN A 72 -2.709 -11.879 -4.002 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -2.146 -13.080 -4.066 1.00 0.00 O flip ATOM 1107 ND2 ASN A 72 -3.098 -11.272 -5.000 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.514 -10.530 -2.916 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.890 -9.288 -3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.239 -11.834 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.888 -11.374 -2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.525 -10.351 -4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.993 -11.690 -5.924 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.154 -9.144 -0.265 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.538 -8.551 1.010 1.00 0.00 C ATOM 1116 C ILE A 73 -2.252 -7.053 1.029 1.00 0.00 C ATOM 1117 O ILE A 73 -3.086 -6.257 1.461 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.799 -9.218 2.186 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -2.252 -10.671 2.343 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -2.038 -8.440 3.471 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -1.377 -11.479 3.275 1.00 0.00 C ATOM 0 H ILE A 73 -1.216 -9.545 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.610 -8.715 1.124 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.730 -9.212 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.276 -10.686 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.262 -11.148 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.510 -8.923 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.670 -7.421 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.106 -8.418 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.757 -12.499 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.356 -11.495 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.386 -11.026 4.266 1.00 0.00 H new ATOM 1133 N ILE A 74 -1.069 -6.677 0.555 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.674 -5.274 0.515 1.00 0.00 C ATOM 1135 C ILE A 74 -1.509 -4.497 -0.498 1.00 0.00 C ATOM 1136 O ILE A 74 -1.438 -3.270 -0.566 1.00 0.00 O ATOM 1137 CB ILE A 74 0.816 -5.118 0.161 1.00 0.00 C ATOM 1138 CG1 ILE A 74 1.690 -5.691 1.280 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.153 -3.655 -0.085 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.165 -5.709 0.944 1.00 0.00 C ATOM 0 H ILE A 74 -0.368 -7.324 0.194 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.846 -4.869 1.512 1.00 0.00 H new ATOM 0 HB ILE A 74 1.017 -5.675 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.539 -5.103 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.363 -6.707 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.210 -3.562 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.551 -3.277 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.940 -3.076 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.724 -6.127 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.329 -6.321 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.507 -4.692 0.752 1.00 0.00 H new ATOM 1152 N ARG A 75 -2.301 -5.221 -1.283 1.00 0.00 N ATOM 1153 CA ARG A 75 -3.150 -4.600 -2.293 1.00 0.00 C ATOM 1154 C ARG A 75 -4.581 -4.455 -1.784 1.00 0.00 C ATOM 1155 O ARG A 75 -5.264 -3.480 -2.095 1.00 0.00 O ATOM 1156 CB ARG A 75 -3.135 -5.426 -3.580 1.00 0.00 C ATOM 1157 CG ARG A 75 -3.936 -6.714 -3.486 1.00 0.00 C ATOM 1158 CD ARG A 75 -4.264 -7.268 -4.864 1.00 0.00 C ATOM 1159 NE ARG A 75 -5.261 -8.334 -4.802 1.00 0.00 N ATOM 1160 CZ ARG A 75 -6.054 -8.658 -5.818 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -5.966 -8.003 -6.967 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -6.936 -9.640 -5.685 1.00 0.00 N ATOM 0 H ARG A 75 -2.372 -6.238 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.755 -3.606 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.531 -4.820 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.103 -5.668 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.371 -7.455 -2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.860 -6.530 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.633 -6.463 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.354 -7.649 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.353 -8.858 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.288 -7.248 -7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.576 -8.254 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.006 -10.147 -4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.544 -9.888 -6.465 1.00 0.00 H new ATOM 1176 N GLU A 76 -5.028 -5.433 -1.002 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.379 -5.414 -0.453 1.00 0.00 C ATOM 1178 C GLU A 76 -6.406 -4.708 0.900 1.00 0.00 C ATOM 1179 O GLU A 76 -7.006 -3.643 1.045 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.914 -6.840 -0.307 1.00 0.00 C ATOM 1181 CG GLU A 76 -8.431 -6.925 -0.321 1.00 0.00 C ATOM 1182 CD GLU A 76 -9.038 -6.731 1.055 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -9.037 -7.697 1.846 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -9.515 -5.613 1.339 1.00 0.00 O ATOM 0 H GLU A 76 -4.475 -6.247 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.017 -4.863 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.517 -7.453 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.543 -7.264 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.827 -6.169 -0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.733 -7.896 -0.714 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.752 -5.310 1.888 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.701 -4.740 3.230 1.00 0.00 C ATOM 1193 C HIS A 77 -5.040 -3.365 3.211 1.00 0.00 C ATOM 1194 O HIS A 77 -5.533 -2.420 3.827 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.939 -5.671 4.174 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.732 -6.866 4.605 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -5.585 -8.179 4.313 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.828 -6.781 5.438 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -6.583 -8.857 4.969 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -7.319 -7.990 5.641 1.00 0.00 N flip ATOM 0 H HIS A 77 -5.250 -6.192 1.785 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.724 -4.628 3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.028 -6.009 3.681 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.634 -5.110 5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.223 -5.868 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.740 -9.925 4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -8.129 -8.216 6.218 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.922 -3.260 2.500 1.00 0.00 N ATOM 1210 CA PHE A 78 -3.193 -2.001 2.403 1.00 0.00 C ATOM 1211 C PHE A 78 -3.099 -1.538 0.952 1.00 0.00 C ATOM 1212 O PHE A 78 -3.532 -2.239 0.036 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.790 -2.152 2.994 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.772 -2.850 4.324 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.937 -4.223 4.403 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.591 -2.132 5.495 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.920 -4.868 5.625 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.573 -2.771 6.720 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.739 -4.141 6.786 1.00 0.00 C ATOM 0 H PHE A 78 -3.501 -4.032 1.983 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.740 -1.249 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.167 -2.707 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.343 -1.164 3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.081 -4.796 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.463 -1.061 5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.048 -5.939 5.673 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.429 -2.200 7.625 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.727 -4.642 7.743 1.00 0.00 H new ATOM 1229 N ILE A 79 -2.531 -0.354 0.750 1.00 0.00 N ATOM 1230 CA ILE A 79 -2.379 0.202 -0.588 1.00 0.00 C ATOM 1231 C ILE A 79 -0.911 0.260 -0.996 1.00 0.00 C ATOM 1232 O ILE A 79 -0.159 1.116 -0.529 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.983 1.616 -0.682 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -4.475 1.580 -0.347 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.760 2.196 -2.071 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -5.319 0.919 -1.415 1.00 0.00 C ATOM 0 H ILE A 79 -2.168 0.239 1.497 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.916 -0.460 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.483 2.258 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.615 1.050 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.829 2.599 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.192 3.195 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.691 2.253 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.237 1.556 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.365 0.929 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.209 1.462 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.991 -0.112 -1.552 1.00 0.00 H new ATOM 1248 N PHE A 80 -0.510 -0.655 -1.873 1.00 0.00 N ATOM 1249 CA PHE A 80 0.869 -0.708 -2.345 1.00 0.00 C ATOM 1250 C PHE A 80 1.294 0.634 -2.935 1.00 0.00 C ATOM 1251 O PHE A 80 0.775 1.064 -3.965 1.00 0.00 O ATOM 1252 CB PHE A 80 1.029 -1.811 -3.393 1.00 0.00 C ATOM 1253 CG PHE A 80 2.440 -1.971 -3.884 1.00 0.00 C ATOM 1254 CD1 PHE A 80 3.329 -2.800 -3.218 1.00 0.00 C ATOM 1255 CD2 PHE A 80 2.876 -1.294 -5.011 1.00 0.00 C ATOM 1256 CE1 PHE A 80 4.627 -2.948 -3.667 1.00 0.00 C ATOM 1257 CE2 PHE A 80 4.174 -1.439 -5.465 1.00 0.00 C ATOM 1258 CZ PHE A 80 5.050 -2.268 -4.793 1.00 0.00 C ATOM 0 H PHE A 80 -1.120 -1.369 -2.271 1.00 0.00 H new ATOM 0 HA PHE A 80 1.510 -0.930 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.691 -2.756 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.380 -1.592 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.003 -3.336 -2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.194 -0.645 -5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.311 -3.595 -3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.502 -0.904 -6.344 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.064 -2.385 -5.147 1.00 0.00 H new ATOM 1268 N TRP A 81 2.239 1.291 -2.273 1.00 0.00 N ATOM 1269 CA TRP A 81 2.734 2.585 -2.730 1.00 0.00 C ATOM 1270 C TRP A 81 4.258 2.623 -2.711 1.00 0.00 C ATOM 1271 O TRP A 81 4.872 2.694 -1.647 1.00 0.00 O ATOM 1272 CB TRP A 81 2.172 3.707 -1.856 1.00 0.00 C ATOM 1273 CG TRP A 81 2.176 5.045 -2.531 1.00 0.00 C ATOM 1274 CD1 TRP A 81 1.258 5.513 -3.427 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.145 6.086 -2.365 1.00 0.00 C ATOM 1276 NE1 TRP A 81 1.599 6.782 -3.829 1.00 0.00 N ATOM 1277 CE2 TRP A 81 2.751 7.157 -3.191 1.00 0.00 C ATOM 1278 CE3 TRP A 81 4.305 6.218 -1.598 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 3.479 8.341 -3.270 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 5.026 7.394 -1.678 1.00 0.00 C ATOM 1281 CH2 TRP A 81 4.611 8.444 -2.508 1.00 0.00 C ATOM 0 H TRP A 81 2.678 0.949 -1.418 1.00 0.00 H new ATOM 0 HA TRP A 81 2.399 2.732 -3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.151 3.457 -1.568 1.00 0.00 H new ATOM 0 HB3 TRP A 81 2.756 3.770 -0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.392 4.966 -3.769 1.00 0.00 H new ATOM 0 HE1 TRP A 81 1.078 7.352 -4.495 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.632 5.415 -0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.161 9.150 -3.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.925 7.506 -1.090 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.195 9.351 -2.547 1.00 0.00 H new ATOM 1292 N GLN A 82 4.862 2.574 -3.894 1.00 0.00 N ATOM 1293 CA GLN A 82 6.315 2.603 -4.011 1.00 0.00 C ATOM 1294 C GLN A 82 6.767 3.757 -4.899 1.00 0.00 C ATOM 1295 O GLN A 82 6.133 4.063 -5.909 1.00 0.00 O ATOM 1296 CB GLN A 82 6.829 1.278 -4.576 1.00 0.00 C ATOM 1297 CG GLN A 82 8.345 1.163 -4.577 1.00 0.00 C ATOM 1298 CD GLN A 82 8.825 -0.226 -4.948 1.00 0.00 C ATOM 1299 OE1 GLN A 82 9.199 -1.018 -4.083 1.00 0.00 O ATOM 1300 NE2 GLN A 82 8.817 -0.530 -6.241 1.00 0.00 N ATOM 0 H GLN A 82 4.368 2.514 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 82 6.731 2.751 -3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.411 0.458 -3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.464 1.162 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.760 1.886 -5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.726 1.423 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.499 0.157 -6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.129 -1.450 -6.550 1.00 0.00 H new ATOM 1309 N VAL A 83 7.868 4.396 -4.516 1.00 0.00 N ATOM 1310 CA VAL A 83 8.406 5.517 -5.278 1.00 0.00 C ATOM 1311 C VAL A 83 9.903 5.677 -5.037 1.00 0.00 C ATOM 1312 O VAL A 83 10.364 5.662 -3.896 1.00 0.00 O ATOM 1313 CB VAL A 83 7.695 6.834 -4.916 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.207 6.738 -5.216 1.00 0.00 C ATOM 1315 CG2 VAL A 83 7.932 7.183 -3.454 1.00 0.00 C ATOM 0 H VAL A 83 8.405 4.156 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 83 8.232 5.297 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 83 8.113 7.633 -5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.722 7.678 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.062 6.539 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.770 5.928 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.422 8.117 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.542 6.385 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.001 7.298 -3.276 1.00 0.00 H new ATOM 1325 N TYR A 84 10.657 5.831 -6.120 1.00 0.00 N ATOM 1326 CA TYR A 84 12.104 5.992 -6.027 1.00 0.00 C ATOM 1327 C TYR A 84 12.464 7.172 -5.129 1.00 0.00 C ATOM 1328 O TYR A 84 11.703 8.133 -5.012 1.00 0.00 O ATOM 1329 CB TYR A 84 12.706 6.194 -7.419 1.00 0.00 C ATOM 1330 CG TYR A 84 13.033 4.901 -8.131 1.00 0.00 C ATOM 1331 CD1 TYR A 84 12.040 3.972 -8.417 1.00 0.00 C ATOM 1332 CD2 TYR A 84 14.335 4.608 -8.518 1.00 0.00 C ATOM 1333 CE1 TYR A 84 12.334 2.789 -9.067 1.00 0.00 C ATOM 1334 CE2 TYR A 84 14.638 3.428 -9.169 1.00 0.00 C ATOM 1335 CZ TYR A 84 13.635 2.522 -9.441 1.00 0.00 C ATOM 1336 OH TYR A 84 13.932 1.345 -10.089 1.00 0.00 O ATOM 0 H TYR A 84 10.291 5.848 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 84 12.518 5.084 -5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.007 6.768 -8.028 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.615 6.790 -7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.021 4.178 -8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 84 15.124 5.315 -8.306 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.550 2.077 -9.281 1.00 0.00 H new ATOM 0 HE2 TYR A 84 15.655 3.216 -9.463 1.00 0.00 H new ATOM 0 HH TYR A 84 14.892 1.312 -10.283 1.00 0.00 H new ATOM 1346 N HIS A 85 13.630 7.091 -4.497 1.00 0.00 N ATOM 1347 CA HIS A 85 14.094 8.152 -3.609 1.00 0.00 C ATOM 1348 C HIS A 85 14.429 9.413 -4.399 1.00 0.00 C ATOM 1349 O HIS A 85 14.111 10.525 -3.977 1.00 0.00 O ATOM 1350 CB HIS A 85 15.320 7.688 -2.822 1.00 0.00 C ATOM 1351 CG HIS A 85 16.588 7.717 -3.618 1.00 0.00 C ATOM 1352 ND1 HIS A 85 17.393 8.833 -3.711 1.00 0.00 N ATOM 1353 CD2 HIS A 85 17.191 6.757 -4.359 1.00 0.00 C ATOM 1354 CE1 HIS A 85 18.435 8.559 -4.476 1.00 0.00 C ATOM 1355 NE2 HIS A 85 18.336 7.306 -4.882 1.00 0.00 N ATOM 0 H HIS A 85 14.271 6.302 -4.583 1.00 0.00 H new ATOM 0 HA HIS A 85 13.290 8.385 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.438 8.321 -1.943 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.149 6.673 -2.463 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.837 5.748 -4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.232 9.243 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 85 19.002 6.824 -5.486 1.00 0.00 H new ATOM 1364 N ASP A 86 15.073 9.233 -5.547 1.00 0.00 N ATOM 1365 CA ASP A 86 15.451 10.356 -6.396 1.00 0.00 C ATOM 1366 C ASP A 86 14.241 11.230 -6.712 1.00 0.00 C ATOM 1367 O ASP A 86 14.327 12.458 -6.689 1.00 0.00 O ATOM 1368 CB ASP A 86 16.085 9.852 -7.694 1.00 0.00 C ATOM 1369 CG ASP A 86 15.381 8.627 -8.243 1.00 0.00 C ATOM 1370 OD1 ASP A 86 15.647 7.515 -7.741 1.00 0.00 O ATOM 1371 OD2 ASP A 86 14.565 8.780 -9.176 1.00 0.00 O ATOM 0 H ASP A 86 15.344 8.319 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 86 16.181 10.959 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 86 16.060 10.647 -8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 86 17.134 9.615 -7.515 1.00 0.00 H new ATOM 1376 N SER A 87 13.116 10.588 -7.009 1.00 0.00 N ATOM 1377 CA SER A 87 11.890 11.307 -7.335 1.00 0.00 C ATOM 1378 C SER A 87 11.560 12.335 -6.257 1.00 0.00 C ATOM 1379 O SER A 87 11.959 12.189 -5.103 1.00 0.00 O ATOM 1380 CB SER A 87 10.726 10.326 -7.493 1.00 0.00 C ATOM 1381 OG SER A 87 10.289 9.846 -6.234 1.00 0.00 O ATOM 0 H SER A 87 13.028 9.572 -7.031 1.00 0.00 H new ATOM 0 HA SER A 87 12.045 11.832 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.899 10.818 -8.005 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.035 9.488 -8.118 1.00 0.00 H new ATOM 0 HG SER A 87 10.755 9.010 -6.023 1.00 0.00 H new ATOM 1387 N GLU A 88 10.828 13.375 -6.645 1.00 0.00 N ATOM 1388 CA GLU A 88 10.445 14.429 -5.712 1.00 0.00 C ATOM 1389 C GLU A 88 9.732 13.846 -4.496 1.00 0.00 C ATOM 1390 O GLU A 88 9.956 14.278 -3.366 1.00 0.00 O ATOM 1391 CB GLU A 88 9.542 15.451 -6.406 1.00 0.00 C ATOM 1392 CG GLU A 88 8.289 14.842 -7.014 1.00 0.00 C ATOM 1393 CD GLU A 88 7.228 15.880 -7.325 1.00 0.00 C ATOM 1394 OE1 GLU A 88 7.526 16.823 -8.087 1.00 0.00 O ATOM 1395 OE2 GLU A 88 6.100 15.748 -6.806 1.00 0.00 O ATOM 0 H GLU A 88 10.489 13.510 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 88 11.353 14.928 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.251 16.215 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.110 15.952 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.554 14.313 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.878 14.103 -6.326 1.00 0.00 H new ATOM 1402 N GLU A 89 8.871 12.862 -4.737 1.00 0.00 N ATOM 1403 CA GLU A 89 8.124 12.220 -3.662 1.00 0.00 C ATOM 1404 C GLU A 89 9.068 11.553 -2.666 1.00 0.00 C ATOM 1405 O GLU A 89 8.938 11.730 -1.455 1.00 0.00 O ATOM 1406 CB GLU A 89 7.152 11.185 -4.232 1.00 0.00 C ATOM 1407 CG GLU A 89 5.874 11.792 -4.787 1.00 0.00 C ATOM 1408 CD GLU A 89 5.073 10.807 -5.616 1.00 0.00 C ATOM 1409 OE1 GLU A 89 5.688 9.912 -6.233 1.00 0.00 O ATOM 1410 OE2 GLU A 89 3.831 10.931 -5.648 1.00 0.00 O ATOM 0 H GLU A 89 8.674 12.492 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 89 7.557 12.990 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.652 10.626 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.895 10.470 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.259 12.152 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.124 12.658 -5.400 1.00 0.00 H new ATOM 1417 N GLY A 90 10.019 10.783 -3.186 1.00 0.00 N ATOM 1418 CA GLY A 90 10.971 10.100 -2.330 1.00 0.00 C ATOM 1419 C GLY A 90 11.650 11.039 -1.352 1.00 0.00 C ATOM 1420 O GLY A 90 11.653 10.791 -0.146 1.00 0.00 O ATOM 0 H GLY A 90 10.147 10.620 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.458 9.313 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.727 9.615 -2.947 1.00 0.00 H new ATOM 1424 N GLN A 91 12.226 12.117 -1.872 1.00 0.00 N ATOM 1425 CA GLN A 91 12.913 13.094 -1.036 1.00 0.00 C ATOM 1426 C GLN A 91 11.993 13.609 0.066 1.00 0.00 C ATOM 1427 O GLN A 91 12.343 13.575 1.246 1.00 0.00 O ATOM 1428 CB GLN A 91 13.413 14.263 -1.886 1.00 0.00 C ATOM 1429 CG GLN A 91 14.368 13.845 -2.993 1.00 0.00 C ATOM 1430 CD GLN A 91 15.759 13.536 -2.477 1.00 0.00 C ATOM 1431 OE1 GLN A 91 16.562 14.440 -2.241 1.00 0.00 O ATOM 1432 NE2 GLN A 91 16.053 12.253 -2.299 1.00 0.00 N ATOM 0 H GLN A 91 12.231 12.336 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 91 13.767 12.601 -0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.557 14.772 -2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.913 14.984 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.969 12.966 -3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 91 14.428 14.641 -3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.357 11.537 -2.507 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.974 11.984 -1.954 1.00 0.00 H new ATOM 1441 N ARG A 92 10.816 14.087 -0.326 1.00 0.00 N ATOM 1442 CA ARG A 92 9.847 14.611 0.629 1.00 0.00 C ATOM 1443 C ARG A 92 9.530 13.576 1.704 1.00 0.00 C ATOM 1444 O ARG A 92 9.548 13.880 2.897 1.00 0.00 O ATOM 1445 CB ARG A 92 8.562 15.024 -0.091 1.00 0.00 C ATOM 1446 CG ARG A 92 8.601 16.440 -0.641 1.00 0.00 C ATOM 1447 CD ARG A 92 7.201 16.991 -0.860 1.00 0.00 C ATOM 1448 NE ARG A 92 7.224 18.335 -1.432 1.00 0.00 N ATOM 1449 CZ ARG A 92 6.361 18.759 -2.348 1.00 0.00 C ATOM 1450 NH1 ARG A 92 5.410 17.949 -2.793 1.00 0.00 N ATOM 1451 NH2 ARG A 92 6.447 19.996 -2.820 1.00 0.00 N ATOM 0 H ARG A 92 10.511 14.122 -1.299 1.00 0.00 H new ATOM 0 HA ARG A 92 10.284 15.487 1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.375 14.330 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.724 14.934 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.143 17.085 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.149 16.451 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.649 16.325 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.667 17.011 0.090 1.00 0.00 H new ATOM 0 HE ARG A 92 7.942 18.983 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.340 16.998 -2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.748 18.277 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.176 20.622 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.784 20.321 -3.524 1.00 0.00 H new ATOM 1465 N TYR A 93 9.239 12.353 1.274 1.00 0.00 N ATOM 1466 CA TYR A 93 8.915 11.274 2.199 1.00 0.00 C ATOM 1467 C TYR A 93 9.989 11.137 3.274 1.00 0.00 C ATOM 1468 O TYR A 93 9.683 10.940 4.451 1.00 0.00 O ATOM 1469 CB TYR A 93 8.763 9.953 1.443 1.00 0.00 C ATOM 1470 CG TYR A 93 8.400 8.785 2.331 1.00 0.00 C ATOM 1471 CD1 TYR A 93 7.148 8.703 2.928 1.00 0.00 C ATOM 1472 CD2 TYR A 93 9.309 7.762 2.573 1.00 0.00 C ATOM 1473 CE1 TYR A 93 6.813 7.637 3.740 1.00 0.00 C ATOM 1474 CE2 TYR A 93 8.982 6.692 3.383 1.00 0.00 C ATOM 1475 CZ TYR A 93 7.733 6.635 3.965 1.00 0.00 C ATOM 1476 OH TYR A 93 7.402 5.571 4.773 1.00 0.00 O ATOM 0 H TYR A 93 9.221 12.084 0.290 1.00 0.00 H new ATOM 0 HA TYR A 93 7.970 11.518 2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.996 10.069 0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.697 9.730 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.425 9.486 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.288 7.804 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.835 7.589 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.700 5.905 3.559 1.00 0.00 H new ATOM 0 HH TYR A 93 8.220 5.142 5.100 1.00 0.00 H new ATOM 1486 N ILE A 94 11.247 11.243 2.861 1.00 0.00 N ATOM 1487 CA ILE A 94 12.367 11.133 3.787 1.00 0.00 C ATOM 1488 C ILE A 94 12.273 12.182 4.890 1.00 0.00 C ATOM 1489 O ILE A 94 12.462 11.877 6.067 1.00 0.00 O ATOM 1490 CB ILE A 94 13.716 11.288 3.061 1.00 0.00 C ATOM 1491 CG1 ILE A 94 13.899 10.167 2.035 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.860 11.288 4.063 1.00 0.00 C ATOM 1493 CD1 ILE A 94 14.968 10.459 1.006 1.00 0.00 C ATOM 0 H ILE A 94 11.516 11.405 1.891 1.00 0.00 H new ATOM 0 HA ILE A 94 12.314 10.138 4.229 1.00 0.00 H new ATOM 0 HB ILE A 94 13.721 12.242 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.152 9.245 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.952 9.995 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.807 11.398 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.734 12.117 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.860 10.348 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 94 15.043 9.622 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 94 14.707 11.364 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.926 10.602 1.507 1.00 0.00 H new ATOM 1505 N GLN A 95 11.977 13.418 4.501 1.00 0.00 N ATOM 1506 CA GLN A 95 11.857 14.512 5.457 1.00 0.00 C ATOM 1507 C GLN A 95 10.559 14.401 6.251 1.00 0.00 C ATOM 1508 O GLN A 95 10.456 14.910 7.367 1.00 0.00 O ATOM 1509 CB GLN A 95 11.913 15.858 4.734 1.00 0.00 C ATOM 1510 CG GLN A 95 13.286 16.192 4.175 1.00 0.00 C ATOM 1511 CD GLN A 95 13.529 17.685 4.076 1.00 0.00 C ATOM 1512 OE1 GLN A 95 12.703 18.426 3.543 1.00 0.00 O ATOM 1513 NE2 GLN A 95 14.668 18.135 4.591 1.00 0.00 N ATOM 0 H GLN A 95 11.816 13.687 3.530 1.00 0.00 H new ATOM 0 HA GLN A 95 12.694 14.447 6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.189 15.853 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.610 16.645 5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.051 15.745 4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.390 15.745 3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.324 17.485 5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.886 19.131 4.554 1.00 0.00 H new ATOM 1522 N PHE A 96 9.570 13.732 5.667 1.00 0.00 N ATOM 1523 CA PHE A 96 8.277 13.556 6.318 1.00 0.00 C ATOM 1524 C PHE A 96 8.455 13.115 7.769 1.00 0.00 C ATOM 1525 O PHE A 96 8.202 13.883 8.697 1.00 0.00 O ATOM 1526 CB PHE A 96 7.436 12.527 5.560 1.00 0.00 C ATOM 1527 CG PHE A 96 5.961 12.656 5.811 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.479 12.880 7.091 1.00 0.00 C ATOM 1529 CD2 PHE A 96 5.056 12.553 4.767 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.122 13.000 7.325 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.698 12.673 4.995 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.231 12.895 6.275 1.00 0.00 C ATOM 0 H PHE A 96 9.639 13.303 4.744 1.00 0.00 H new ATOM 0 HA PHE A 96 7.760 14.515 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.625 12.631 4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.759 11.525 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.172 12.962 7.915 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.416 12.377 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.759 13.176 8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.003 12.593 4.172 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.170 12.986 6.455 1.00 0.00 H new ATOM 1542 N TYR A 97 8.891 11.874 7.954 1.00 0.00 N ATOM 1543 CA TYR A 97 9.100 11.330 9.290 1.00 0.00 C ATOM 1544 C TYR A 97 10.578 11.047 9.538 1.00 0.00 C ATOM 1545 O TYR A 97 10.937 10.310 10.457 1.00 0.00 O ATOM 1546 CB TYR A 97 8.286 10.048 9.474 1.00 0.00 C ATOM 1547 CG TYR A 97 6.878 10.142 8.932 1.00 0.00 C ATOM 1548 CD1 TYR A 97 6.627 10.024 7.571 1.00 0.00 C ATOM 1549 CD2 TYR A 97 5.798 10.349 9.781 1.00 0.00 C ATOM 1550 CE1 TYR A 97 5.342 10.110 7.071 1.00 0.00 C ATOM 1551 CE2 TYR A 97 4.509 10.435 9.291 1.00 0.00 C ATOM 1552 CZ TYR A 97 4.287 10.315 7.935 1.00 0.00 C ATOM 1553 OH TYR A 97 3.005 10.401 7.442 1.00 0.00 O ATOM 0 H TYR A 97 9.106 11.226 7.196 1.00 0.00 H new ATOM 0 HA TYR A 97 8.765 12.073 10.014 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.803 9.225 8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.242 9.805 10.536 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.451 9.862 6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.969 10.444 10.843 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.165 10.017 6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.681 10.595 9.965 1.00 0.00 H new ATOM 0 HH TYR A 97 2.718 11.338 7.438 1.00 0.00 H new ATOM 1563 N LYS A 98 11.434 11.639 8.712 1.00 0.00 N ATOM 1564 CA LYS A 98 12.875 11.454 8.839 1.00 0.00 C ATOM 1565 C LYS A 98 13.261 9.999 8.590 1.00 0.00 C ATOM 1566 O LYS A 98 14.014 9.405 9.362 1.00 0.00 O ATOM 1567 CB LYS A 98 13.343 11.886 10.231 1.00 0.00 C ATOM 1568 CG LYS A 98 13.076 13.349 10.536 1.00 0.00 C ATOM 1569 CD LYS A 98 14.118 14.252 9.896 1.00 0.00 C ATOM 1570 CE LYS A 98 15.325 14.438 10.802 1.00 0.00 C ATOM 1571 NZ LYS A 98 16.260 15.470 10.275 1.00 0.00 N ATOM 0 H LYS A 98 11.154 12.252 7.946 1.00 0.00 H new ATOM 0 HA LYS A 98 13.364 12.074 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.844 11.271 10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.412 11.694 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.085 13.622 10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.074 13.502 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.437 13.824 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.674 15.223 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.990 14.726 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.852 13.489 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.069 15.567 10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.600 15.183 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.765 16.382 10.201 1.00 0.00 H new ATOM 1585 N LEU A 99 12.742 9.432 7.507 1.00 0.00 N ATOM 1586 CA LEU A 99 13.034 8.047 7.154 1.00 0.00 C ATOM 1587 C LEU A 99 14.441 7.658 7.596 1.00 0.00 C ATOM 1588 O LEU A 99 14.657 6.571 8.131 1.00 0.00 O ATOM 1589 CB LEU A 99 12.885 7.841 5.646 1.00 0.00 C ATOM 1590 CG LEU A 99 13.537 6.582 5.072 1.00 0.00 C ATOM 1591 CD1 LEU A 99 12.734 6.055 3.894 1.00 0.00 C ATOM 1592 CD2 LEU A 99 14.973 6.868 4.657 1.00 0.00 C ATOM 0 H LEU A 99 12.117 9.910 6.858 1.00 0.00 H new ATOM 0 HA LEU A 99 12.320 7.408 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 99 11.822 7.817 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.307 8.708 5.138 1.00 0.00 H new ATOM 0 HG LEU A 99 13.550 5.816 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.213 5.159 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.724 5.811 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.689 6.816 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.422 5.961 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.983 7.650 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 99 15.544 7.198 5.525 1.00 0.00 H new ATOM 1604 N GLY A 100 15.397 8.554 7.368 1.00 0.00 N ATOM 1605 CA GLY A 100 16.771 8.287 7.750 1.00 0.00 C ATOM 1606 C GLY A 100 17.528 7.514 6.689 1.00 0.00 C ATOM 1607 O GLY A 100 18.425 8.053 6.040 1.00 0.00 O ATOM 0 H GLY A 100 15.244 9.460 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.282 9.231 7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 100 16.783 7.724 8.683 1.00 0.00 H new ATOM 1611 N ASP A 101 17.168 6.247 6.512 1.00 0.00 N ATOM 1612 CA ASP A 101 17.820 5.398 5.522 1.00 0.00 C ATOM 1613 C ASP A 101 16.950 4.191 5.184 1.00 0.00 C ATOM 1614 O ASP A 101 15.875 4.009 5.754 1.00 0.00 O ATOM 1615 CB ASP A 101 19.183 4.932 6.037 1.00 0.00 C ATOM 1616 CG ASP A 101 20.154 4.630 4.913 1.00 0.00 C ATOM 1617 OD1 ASP A 101 20.763 5.583 4.383 1.00 0.00 O ATOM 1618 OD2 ASP A 101 20.305 3.441 4.562 1.00 0.00 O ATOM 0 H ASP A 101 16.428 5.786 7.041 1.00 0.00 H new ATOM 0 HA ASP A 101 17.964 5.985 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 101 19.607 5.701 6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.051 4.040 6.649 1.00 0.00 H new ATOM 1623 N PHE A 102 17.423 3.370 4.252 1.00 0.00 N ATOM 1624 CA PHE A 102 16.688 2.182 3.836 1.00 0.00 C ATOM 1625 C PHE A 102 17.408 0.913 4.283 1.00 0.00 C ATOM 1626 O PHE A 102 18.596 0.923 4.603 1.00 0.00 O ATOM 1627 CB PHE A 102 16.510 2.172 2.316 1.00 0.00 C ATOM 1628 CG PHE A 102 16.658 3.528 1.687 1.00 0.00 C ATOM 1629 CD1 PHE A 102 15.730 4.526 1.934 1.00 0.00 C ATOM 1630 CD2 PHE A 102 17.725 3.803 0.847 1.00 0.00 C ATOM 1631 CE1 PHE A 102 15.863 5.775 1.357 1.00 0.00 C ATOM 1632 CE2 PHE A 102 17.863 5.050 0.267 1.00 0.00 C ATOM 1633 CZ PHE A 102 16.931 6.037 0.521 1.00 0.00 C ATOM 0 H PHE A 102 18.312 3.506 3.771 1.00 0.00 H new ATOM 0 HA PHE A 102 15.707 2.208 4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 102 17.242 1.495 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.524 1.775 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.892 4.326 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 102 18.456 3.035 0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 102 15.133 6.545 1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 102 18.700 5.253 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.037 7.011 0.067 1.00 0.00 H new ATOM 1643 N PRO A 103 16.671 -0.208 4.307 1.00 0.00 N ATOM 1644 CA PRO A 103 15.254 -0.232 3.929 1.00 0.00 C ATOM 1645 C PRO A 103 14.371 0.488 4.943 1.00 0.00 C ATOM 1646 O PRO A 103 14.645 0.467 6.144 1.00 0.00 O ATOM 1647 CB PRO A 103 14.922 -1.726 3.895 1.00 0.00 C ATOM 1648 CG PRO A 103 15.906 -2.354 4.821 1.00 0.00 C ATOM 1649 CD PRO A 103 17.163 -1.537 4.706 1.00 0.00 C ATOM 0 HA PRO A 103 15.075 0.280 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.898 -1.912 4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.014 -2.129 2.887 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.533 -2.354 5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.090 -3.393 4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.705 -1.498 5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.846 -1.952 3.964 1.00 0.00 H new ATOM 1657 N TYR A 104 13.312 1.122 4.453 1.00 0.00 N ATOM 1658 CA TYR A 104 12.390 1.850 5.317 1.00 0.00 C ATOM 1659 C TYR A 104 10.942 1.572 4.924 1.00 0.00 C ATOM 1660 O TYR A 104 10.543 1.796 3.782 1.00 0.00 O ATOM 1661 CB TYR A 104 12.670 3.352 5.247 1.00 0.00 C ATOM 1662 CG TYR A 104 11.897 4.160 6.264 1.00 0.00 C ATOM 1663 CD1 TYR A 104 10.591 4.563 6.012 1.00 0.00 C ATOM 1664 CD2 TYR A 104 12.471 4.522 7.476 1.00 0.00 C ATOM 1665 CE1 TYR A 104 9.880 5.302 6.938 1.00 0.00 C ATOM 1666 CE2 TYR A 104 11.768 5.260 8.408 1.00 0.00 C ATOM 1667 CZ TYR A 104 10.472 5.648 8.134 1.00 0.00 C ATOM 1668 OH TYR A 104 9.769 6.384 9.059 1.00 0.00 O ATOM 0 H TYR A 104 13.070 1.147 3.462 1.00 0.00 H new ATOM 0 HA TYR A 104 12.543 1.507 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.736 3.522 5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.426 3.712 4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.124 4.294 5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 104 13.485 4.221 7.693 1.00 0.00 H new ATOM 0 HE1 TYR A 104 8.866 5.607 6.726 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.230 5.532 9.346 1.00 0.00 H new ATOM 0 HH TYR A 104 10.330 6.541 9.847 1.00 0.00 H new ATOM 1678 N VAL A 105 10.160 1.084 5.882 1.00 0.00 N ATOM 1679 CA VAL A 105 8.755 0.777 5.638 1.00 0.00 C ATOM 1680 C VAL A 105 7.906 1.077 6.869 1.00 0.00 C ATOM 1681 O VAL A 105 8.291 0.758 7.994 1.00 0.00 O ATOM 1682 CB VAL A 105 8.564 -0.699 5.244 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.087 -1.016 5.059 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.348 -1.018 3.980 1.00 0.00 C ATOM 0 H VAL A 105 10.475 0.893 6.833 1.00 0.00 H new ATOM 0 HA VAL A 105 8.430 1.411 4.813 1.00 0.00 H new ATOM 0 HB VAL A 105 8.947 -1.325 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.972 -2.064 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.555 -0.828 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.675 -0.384 4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.202 -2.065 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 105 8.997 -0.386 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.408 -0.832 4.153 1.00 0.00 H new ATOM 1694 N SER A 106 6.749 1.692 6.646 1.00 0.00 N ATOM 1695 CA SER A 106 5.846 2.039 7.737 1.00 0.00 C ATOM 1696 C SER A 106 4.406 2.134 7.242 1.00 0.00 C ATOM 1697 O SER A 106 4.149 2.095 6.038 1.00 0.00 O ATOM 1698 CB SER A 106 6.266 3.365 8.374 1.00 0.00 C ATOM 1699 OG SER A 106 6.279 4.409 7.416 1.00 0.00 O ATOM 0 H SER A 106 6.415 1.960 5.720 1.00 0.00 H new ATOM 0 HA SER A 106 5.903 1.250 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.580 3.617 9.182 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.256 3.262 8.817 1.00 0.00 H new ATOM 0 HG SER A 106 6.549 5.246 7.848 1.00 0.00 H new ATOM 1705 N ILE A 107 3.472 2.257 8.178 1.00 0.00 N ATOM 1706 CA ILE A 107 2.058 2.359 7.837 1.00 0.00 C ATOM 1707 C ILE A 107 1.457 3.658 8.363 1.00 0.00 C ATOM 1708 O ILE A 107 1.481 3.923 9.566 1.00 0.00 O ATOM 1709 CB ILE A 107 1.256 1.170 8.400 1.00 0.00 C ATOM 1710 CG1 ILE A 107 1.746 -0.142 7.784 1.00 0.00 C ATOM 1711 CG2 ILE A 107 -0.230 1.363 8.139 1.00 0.00 C ATOM 1712 CD1 ILE A 107 1.340 -1.368 8.571 1.00 0.00 C ATOM 0 H ILE A 107 3.668 2.289 9.178 1.00 0.00 H new ATOM 0 HA ILE A 107 1.995 2.347 6.749 1.00 0.00 H new ATOM 0 HB ILE A 107 1.412 1.123 9.478 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.356 -0.226 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.833 -0.114 7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.783 0.515 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.568 2.280 8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.405 1.433 7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.722 -2.261 8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.753 -1.307 9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.253 -1.421 8.627 1.00 0.00 H new ATOM 1724 N LEU A 108 0.918 4.463 7.455 1.00 0.00 N ATOM 1725 CA LEU A 108 0.308 5.735 7.828 1.00 0.00 C ATOM 1726 C LEU A 108 -1.213 5.654 7.748 1.00 0.00 C ATOM 1727 O LEU A 108 -1.764 4.798 7.055 1.00 0.00 O ATOM 1728 CB LEU A 108 0.819 6.854 6.918 1.00 0.00 C ATOM 1729 CG LEU A 108 2.335 6.938 6.744 1.00 0.00 C ATOM 1730 CD1 LEU A 108 2.700 8.036 5.757 1.00 0.00 C ATOM 1731 CD2 LEU A 108 3.013 7.178 8.085 1.00 0.00 C ATOM 0 H LEU A 108 0.891 4.258 6.456 1.00 0.00 H new ATOM 0 HA LEU A 108 0.588 5.956 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.367 6.730 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.465 7.806 7.313 1.00 0.00 H new ATOM 0 HG LEU A 108 2.688 5.987 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.783 8.080 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.245 7.822 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.333 8.994 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.092 7.235 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.654 8.114 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.780 6.357 8.763 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.887 6.551 8.459 1.00 0.00 N ATOM 1744 CA ASP A 109 -3.345 6.584 8.466 1.00 0.00 C ATOM 1745 C ASP A 109 -3.871 7.586 7.443 1.00 0.00 C ATOM 1746 O ASP A 109 -3.565 8.777 7.491 1.00 0.00 O ATOM 1747 CB ASP A 109 -3.861 6.940 9.861 1.00 0.00 C ATOM 1748 CG ASP A 109 -5.374 6.896 9.947 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -5.976 5.985 9.341 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -5.957 7.773 10.618 1.00 0.00 O ATOM 0 H ASP A 109 -1.447 7.266 9.039 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.708 5.593 8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.438 6.248 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.513 7.937 10.130 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.682 7.093 6.495 1.00 0.00 N ATOM 1756 CA PRO A 110 -5.267 7.928 5.442 1.00 0.00 C ATOM 1757 C PRO A 110 -6.322 8.888 5.983 1.00 0.00 C ATOM 1758 O PRO A 110 -6.778 9.787 5.276 1.00 0.00 O ATOM 1759 CB PRO A 110 -5.907 6.909 4.496 1.00 0.00 C ATOM 1760 CG PRO A 110 -6.187 5.722 5.351 1.00 0.00 C ATOM 1761 CD PRO A 110 -5.090 5.683 6.378 1.00 0.00 C ATOM 0 HA PRO A 110 -4.522 8.564 4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.822 7.301 4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.237 6.656 3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.164 5.806 5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.199 4.808 4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.444 5.287 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.262 5.050 6.058 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.704 8.692 7.241 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.706 9.541 7.876 1.00 0.00 C ATOM 1771 C ARG A 111 -7.050 10.736 8.561 1.00 0.00 C ATOM 1772 O ARG A 111 -7.376 11.888 8.272 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.515 8.736 8.894 1.00 0.00 C ATOM 1774 CG ARG A 111 -9.351 7.630 8.271 1.00 0.00 C ATOM 1775 CD ARG A 111 -10.284 6.996 9.290 1.00 0.00 C ATOM 1776 NE ARG A 111 -9.594 6.022 10.133 1.00 0.00 N ATOM 1777 CZ ARG A 111 -10.002 5.686 11.351 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -11.090 6.241 11.867 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -9.320 4.792 12.057 1.00 0.00 N ATOM 0 H ARG A 111 -6.335 7.954 7.840 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.377 9.912 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.833 8.298 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -9.172 9.413 9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.935 8.035 7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -8.694 6.867 7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.719 7.774 9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -11.109 6.507 8.771 1.00 0.00 H new ATOM 0 HE ARG A 111 -8.753 5.576 9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.616 6.928 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -11.401 5.980 12.803 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.482 4.363 11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.634 4.534 12.993 1.00 0.00 H new ATOM 1793 N THR A 112 -6.123 10.454 9.472 1.00 0.00 N ATOM 1794 CA THR A 112 -5.423 11.505 10.200 1.00 0.00 C ATOM 1795 C THR A 112 -4.088 11.835 9.541 1.00 0.00 C ATOM 1796 O THR A 112 -3.719 13.001 9.415 1.00 0.00 O ATOM 1797 CB THR A 112 -5.173 11.102 11.666 1.00 0.00 C ATOM 1798 OG1 THR A 112 -4.325 9.950 11.719 1.00 0.00 O ATOM 1799 CG2 THR A 112 -6.485 10.806 12.377 1.00 0.00 C ATOM 0 H THR A 112 -5.840 9.507 9.723 1.00 0.00 H new ATOM 0 HA THR A 112 -6.064 12.386 10.177 1.00 0.00 H new ATOM 0 HB THR A 112 -4.685 11.935 12.171 1.00 0.00 H new ATOM 0 HG1 THR A 112 -4.812 9.170 11.380 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.283 10.524 13.410 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.116 11.694 12.360 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.997 9.988 11.871 1.00 0.00 H new ATOM 1807 N GLY A 113 -3.369 10.798 9.121 1.00 0.00 N ATOM 1808 CA GLY A 113 -2.083 11.000 8.480 1.00 0.00 C ATOM 1809 C GLY A 113 -0.938 11.031 9.472 1.00 0.00 C ATOM 1810 O GLY A 113 0.034 11.763 9.285 1.00 0.00 O ATOM 0 H GLY A 113 -3.654 9.823 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.912 10.202 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.102 11.936 7.922 1.00 0.00 H new ATOM 1814 N GLN A 114 -1.053 10.237 10.532 1.00 0.00 N ATOM 1815 CA GLN A 114 -0.020 10.180 11.559 1.00 0.00 C ATOM 1816 C GLN A 114 0.640 8.805 11.591 1.00 0.00 C ATOM 1817 O GLN A 114 -0.023 7.782 11.419 1.00 0.00 O ATOM 1818 CB GLN A 114 -0.615 10.505 12.930 1.00 0.00 C ATOM 1819 CG GLN A 114 0.319 10.193 14.088 1.00 0.00 C ATOM 1820 CD GLN A 114 0.073 11.081 15.292 1.00 0.00 C ATOM 1821 OE1 GLN A 114 0.131 12.307 15.195 1.00 0.00 O ATOM 1822 NE2 GLN A 114 -0.204 10.466 16.435 1.00 0.00 N ATOM 0 H GLN A 114 -1.851 9.625 10.702 1.00 0.00 H new ATOM 0 HA GLN A 114 0.740 10.923 11.316 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -0.878 11.562 12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -1.540 9.942 13.058 1.00 0.00 H new ATOM 0 HG2 GLN A 114 0.195 9.150 14.379 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.351 10.311 13.759 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -0.242 9.447 16.470 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.379 11.012 17.279 1.00 0.00 H new ATOM 1831 N LYS A 115 1.950 8.788 11.812 1.00 0.00 N ATOM 1832 CA LYS A 115 2.701 7.539 11.868 1.00 0.00 C ATOM 1833 C LYS A 115 2.267 6.697 13.063 1.00 0.00 C ATOM 1834 O LYS A 115 2.466 7.086 14.215 1.00 0.00 O ATOM 1835 CB LYS A 115 4.202 7.826 11.950 1.00 0.00 C ATOM 1836 CG LYS A 115 5.070 6.642 11.561 1.00 0.00 C ATOM 1837 CD LYS A 115 6.542 7.015 11.531 1.00 0.00 C ATOM 1838 CE LYS A 115 7.086 7.250 12.932 1.00 0.00 C ATOM 1839 NZ LYS A 115 7.108 5.997 13.736 1.00 0.00 N ATOM 0 H LYS A 115 2.514 9.626 11.955 1.00 0.00 H new ATOM 0 HA LYS A 115 2.494 6.978 10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.438 8.668 11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.450 8.129 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.915 5.828 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.767 6.274 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.110 6.220 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.678 7.915 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.095 7.657 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.474 7.996 13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.719 6.185 14.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.533 5.271 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.087 5.659 13.825 1.00 0.00 H new ATOM 1853 N LEU A 116 1.676 5.541 12.783 1.00 0.00 N ATOM 1854 CA LEU A 116 1.215 4.642 13.836 1.00 0.00 C ATOM 1855 C LEU A 116 2.257 3.567 14.128 1.00 0.00 C ATOM 1856 O LEU A 116 2.533 3.253 15.286 1.00 0.00 O ATOM 1857 CB LEU A 116 -0.109 3.990 13.434 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.189 4.935 12.904 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -2.402 4.148 12.434 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -1.586 5.944 13.972 1.00 0.00 C ATOM 0 H LEU A 116 1.504 5.204 11.836 1.00 0.00 H new ATOM 0 HA LEU A 116 1.063 5.230 14.741 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.096 3.240 12.670 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.509 3.463 14.300 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.782 5.480 12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.160 4.836 12.060 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.107 3.466 11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.810 3.577 13.268 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.355 6.608 13.577 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.974 5.417 14.844 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.714 6.530 14.261 1.00 0.00 H new ATOM 1872 N VAL A 117 2.833 3.006 13.069 1.00 0.00 N ATOM 1873 CA VAL A 117 3.847 1.967 13.212 1.00 0.00 C ATOM 1874 C VAL A 117 5.049 2.247 12.316 1.00 0.00 C ATOM 1875 O VAL A 117 4.985 3.089 11.421 1.00 0.00 O ATOM 1876 CB VAL A 117 3.278 0.577 12.870 1.00 0.00 C ATOM 1877 CG1 VAL A 117 2.030 0.295 13.692 1.00 0.00 C ATOM 1878 CG2 VAL A 117 2.982 0.474 11.382 1.00 0.00 C ATOM 0 H VAL A 117 2.615 3.253 12.104 1.00 0.00 H new ATOM 0 HA VAL A 117 4.164 1.975 14.255 1.00 0.00 H new ATOM 0 HB VAL A 117 4.026 -0.175 13.120 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.642 -0.691 13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.279 0.324 14.753 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.274 1.050 13.476 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.581 -0.515 11.158 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.252 1.234 11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.901 0.629 10.817 1.00 0.00 H new ATOM 1888 N GLU A 118 6.143 1.534 12.564 1.00 0.00 N ATOM 1889 CA GLU A 118 7.360 1.706 11.780 1.00 0.00 C ATOM 1890 C GLU A 118 8.182 0.420 11.761 1.00 0.00 C ATOM 1891 O GLU A 118 8.384 -0.215 12.796 1.00 0.00 O ATOM 1892 CB GLU A 118 8.200 2.853 12.345 1.00 0.00 C ATOM 1893 CG GLU A 118 8.736 2.584 13.741 1.00 0.00 C ATOM 1894 CD GLU A 118 9.794 3.585 14.163 1.00 0.00 C ATOM 1895 OE1 GLU A 118 9.670 4.771 13.793 1.00 0.00 O ATOM 1896 OE2 GLU A 118 10.745 3.182 14.865 1.00 0.00 O ATOM 0 H GLU A 118 6.211 0.832 13.301 1.00 0.00 H new ATOM 0 HA GLU A 118 7.071 1.947 10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.037 3.044 11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.595 3.759 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.912 2.610 14.454 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.157 1.579 13.777 1.00 0.00 H new ATOM 1903 N TRP A 119 8.652 0.043 10.578 1.00 0.00 N ATOM 1904 CA TRP A 119 9.451 -1.168 10.424 1.00 0.00 C ATOM 1905 C TRP A 119 10.664 -0.910 9.537 1.00 0.00 C ATOM 1906 O TRP A 119 10.526 -0.634 8.344 1.00 0.00 O ATOM 1907 CB TRP A 119 8.601 -2.293 9.832 1.00 0.00 C ATOM 1908 CG TRP A 119 7.345 -2.558 10.605 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.216 -2.621 11.964 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.040 -2.798 10.066 1.00 0.00 C ATOM 1911 NE1 TRP A 119 5.911 -2.885 12.301 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.169 -2.997 11.154 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.523 -2.861 8.769 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 3.812 -3.256 10.984 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.176 -3.118 8.601 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.333 -3.313 9.703 1.00 0.00 C ATOM 0 H TRP A 119 8.494 0.558 9.712 1.00 0.00 H new ATOM 0 HA TRP A 119 9.803 -1.469 11.411 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.340 -2.039 8.805 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.195 -3.206 9.794 1.00 0.00 H new ATOM 0 HD1 TRP A 119 8.022 -2.483 12.670 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.552 -2.982 13.251 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.165 -2.711 7.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.161 -3.407 11.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.766 -3.169 7.603 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.284 -3.512 9.538 1.00 0.00 H new ATOM 1927 N HIS A 120 11.852 -1.001 10.125 1.00 0.00 N ATOM 1928 CA HIS A 120 13.090 -0.779 9.386 1.00 0.00 C ATOM 1929 C HIS A 120 13.493 -2.029 8.610 1.00 0.00 C ATOM 1930 O HIS A 120 13.758 -1.967 7.410 1.00 0.00 O ATOM 1931 CB HIS A 120 14.213 -0.374 10.342 1.00 0.00 C ATOM 1932 CG HIS A 120 15.254 0.498 9.708 1.00 0.00 C ATOM 1933 ND1 HIS A 120 16.037 0.295 8.623 1.00 0.00 N flip ATOM 1934 CD2 HIS A 120 15.587 1.745 10.192 1.00 0.00 C flip ATOM 1935 CE1 HIS A 120 16.822 1.412 8.473 1.00 0.00 C flip ATOM 1936 NE2 HIS A 120 16.530 2.272 9.432 1.00 0.00 N flip ATOM 0 H HIS A 120 11.984 -1.227 11.111 1.00 0.00 H new ATOM 0 HA HIS A 120 12.919 0.029 8.674 1.00 0.00 H new ATOM 0 HB2 HIS A 120 13.782 0.150 11.195 1.00 0.00 H new ATOM 0 HB3 HIS A 120 14.691 -1.274 10.730 1.00 0.00 H new ATOM 0 HD2 HIS A 120 15.146 2.217 11.057 1.00 0.00 H new ATOM 0 HE1 HIS A 120 17.558 1.563 7.697 1.00 0.00 H new ATOM 0 HE2 HIS A 120 16.960 3.188 9.563 1.00 0.00 H new ATOM 1945 N GLN A 121 13.536 -3.162 9.304 1.00 0.00 N ATOM 1946 CA GLN A 121 13.907 -4.426 8.680 1.00 0.00 C ATOM 1947 C GLN A 121 12.758 -5.426 8.749 1.00 0.00 C ATOM 1948 O GLN A 121 12.415 -5.920 9.824 1.00 0.00 O ATOM 1949 CB GLN A 121 15.148 -5.009 9.359 1.00 0.00 C ATOM 1950 CG GLN A 121 15.580 -6.350 8.788 1.00 0.00 C ATOM 1951 CD GLN A 121 16.213 -6.224 7.416 1.00 0.00 C ATOM 1952 OE1 GLN A 121 15.675 -6.718 6.424 1.00 0.00 O ATOM 1953 NE2 GLN A 121 17.360 -5.559 7.352 1.00 0.00 N ATOM 0 H GLN A 121 13.319 -3.230 10.298 1.00 0.00 H new ATOM 0 HA GLN A 121 14.132 -4.232 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 121 15.971 -4.301 9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 121 14.949 -5.124 10.424 1.00 0.00 H new ATOM 0 HG2 GLN A 121 16.290 -6.819 9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 121 14.715 -7.010 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 121 17.770 -5.166 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.832 -5.441 6.455 1.00 0.00 H new ATOM 1962 N LEU A 122 12.166 -5.720 7.597 1.00 0.00 N ATOM 1963 CA LEU A 122 11.054 -6.662 7.526 1.00 0.00 C ATOM 1964 C LEU A 122 11.489 -7.970 6.873 1.00 0.00 C ATOM 1965 O LEU A 122 12.607 -8.082 6.369 1.00 0.00 O ATOM 1966 CB LEU A 122 9.891 -6.050 6.744 1.00 0.00 C ATOM 1967 CG LEU A 122 9.074 -4.987 7.478 1.00 0.00 C ATOM 1968 CD1 LEU A 122 8.510 -3.973 6.494 1.00 0.00 C ATOM 1969 CD2 LEU A 122 7.954 -5.634 8.280 1.00 0.00 C ATOM 0 H LEU A 122 12.437 -5.320 6.699 1.00 0.00 H new ATOM 0 HA LEU A 122 10.727 -6.877 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.287 -5.608 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.218 -6.854 6.444 1.00 0.00 H new ATOM 0 HG LEU A 122 9.734 -4.463 8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.931 -3.224 7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.329 -3.486 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.865 -4.481 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.383 -4.862 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.296 -6.184 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.380 -6.320 9.012 1.00 0.00 H new ATOM 1981 N ASP A 123 10.598 -8.956 6.885 1.00 0.00 N ATOM 1982 CA ASP A 123 10.889 -10.256 6.291 1.00 0.00 C ATOM 1983 C ASP A 123 9.605 -10.943 5.836 1.00 0.00 C ATOM 1984 O ASP A 123 8.503 -10.497 6.153 1.00 0.00 O ATOM 1985 CB ASP A 123 11.630 -11.143 7.292 1.00 0.00 C ATOM 1986 CG ASP A 123 12.296 -12.333 6.629 1.00 0.00 C ATOM 1987 OD1 ASP A 123 11.634 -13.383 6.493 1.00 0.00 O ATOM 1988 OD2 ASP A 123 13.478 -12.214 6.245 1.00 0.00 O ATOM 0 H ASP A 123 9.669 -8.880 7.299 1.00 0.00 H new ATOM 0 HA ASP A 123 11.524 -10.097 5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.384 -10.550 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 123 10.929 -11.497 8.048 1.00 0.00 H new ATOM 1993 N VAL A 124 9.757 -12.032 5.088 1.00 0.00 N ATOM 1994 CA VAL A 124 8.611 -12.782 4.589 1.00 0.00 C ATOM 1995 C VAL A 124 7.699 -13.218 5.730 1.00 0.00 C ATOM 1996 O VAL A 124 6.526 -12.848 5.778 1.00 0.00 O ATOM 1997 CB VAL A 124 9.056 -14.026 3.797 1.00 0.00 C ATOM 1998 CG1 VAL A 124 7.849 -14.856 3.384 1.00 0.00 C ATOM 1999 CG2 VAL A 124 9.874 -13.619 2.581 1.00 0.00 C ATOM 0 H VAL A 124 10.662 -12.414 4.815 1.00 0.00 H new ATOM 0 HA VAL A 124 8.062 -12.115 3.925 1.00 0.00 H new ATOM 0 HB VAL A 124 9.686 -14.639 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 124 8.183 -15.731 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.307 -15.178 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.191 -14.254 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.180 -14.510 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.270 -12.984 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.759 -13.071 2.905 1.00 0.00 H new ATOM 2009 N SER A 125 8.247 -14.008 6.648 1.00 0.00 N ATOM 2010 CA SER A 125 7.483 -14.499 7.789 1.00 0.00 C ATOM 2011 C SER A 125 7.115 -13.354 8.729 1.00 0.00 C ATOM 2012 O SER A 125 5.954 -13.192 9.103 1.00 0.00 O ATOM 2013 CB SER A 125 8.282 -15.560 8.547 1.00 0.00 C ATOM 2014 OG SER A 125 7.561 -16.035 9.671 1.00 0.00 O ATOM 0 H SER A 125 9.217 -14.322 6.624 1.00 0.00 H new ATOM 0 HA SER A 125 6.563 -14.948 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.512 -16.391 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.234 -15.140 8.872 1.00 0.00 H new ATOM 0 HG SER A 125 8.092 -16.713 10.138 1.00 0.00 H new ATOM 2020 N SER A 126 8.114 -12.563 9.107 1.00 0.00 N ATOM 2021 CA SER A 126 7.898 -11.436 10.007 1.00 0.00 C ATOM 2022 C SER A 126 6.780 -10.536 9.491 1.00 0.00 C ATOM 2023 O SER A 126 5.771 -10.331 10.166 1.00 0.00 O ATOM 2024 CB SER A 126 9.188 -10.627 10.163 1.00 0.00 C ATOM 2025 OG SER A 126 10.107 -11.293 11.012 1.00 0.00 O ATOM 0 H SER A 126 9.081 -12.682 8.804 1.00 0.00 H new ATOM 0 HA SER A 126 7.604 -11.830 10.980 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.642 -10.467 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.957 -9.643 10.572 1.00 0.00 H new ATOM 0 HG SER A 126 10.923 -10.757 11.095 1.00 0.00 H new ATOM 2031 N PHE A 127 6.966 -10.001 8.289 1.00 0.00 N ATOM 2032 CA PHE A 127 5.974 -9.122 7.681 1.00 0.00 C ATOM 2033 C PHE A 127 4.565 -9.673 7.878 1.00 0.00 C ATOM 2034 O PHE A 127 3.697 -9.004 8.440 1.00 0.00 O ATOM 2035 CB PHE A 127 6.261 -8.948 6.189 1.00 0.00 C ATOM 2036 CG PHE A 127 5.236 -8.114 5.474 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.378 -6.738 5.393 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.132 -8.706 4.884 1.00 0.00 C ATOM 2039 CE1 PHE A 127 4.436 -5.968 4.736 1.00 0.00 C ATOM 2040 CE2 PHE A 127 3.188 -7.942 4.225 1.00 0.00 C ATOM 2041 CZ PHE A 127 3.340 -6.571 4.152 1.00 0.00 C ATOM 0 H PHE A 127 7.795 -10.161 7.716 1.00 0.00 H new ATOM 0 HA PHE A 127 6.037 -8.151 8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.241 -8.488 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.310 -9.931 5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.234 -6.262 5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.007 -9.777 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.557 -4.896 4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.332 -8.416 3.768 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.603 -5.972 3.639 1.00 0.00 H new ATOM 2051 N LEU A 128 4.345 -10.897 7.411 1.00 0.00 N ATOM 2052 CA LEU A 128 3.041 -11.541 7.535 1.00 0.00 C ATOM 2053 C LEU A 128 2.615 -11.632 8.997 1.00 0.00 C ATOM 2054 O LEU A 128 1.600 -11.061 9.394 1.00 0.00 O ATOM 2055 CB LEU A 128 3.080 -12.939 6.915 1.00 0.00 C ATOM 2056 CG LEU A 128 3.538 -13.014 5.458 1.00 0.00 C ATOM 2057 CD1 LEU A 128 3.904 -14.443 5.088 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.456 -12.481 4.530 1.00 0.00 C ATOM 0 H LEU A 128 5.052 -11.464 6.943 1.00 0.00 H new ATOM 0 HA LEU A 128 2.311 -10.933 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 128 3.742 -13.563 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 128 2.083 -13.373 6.984 1.00 0.00 H new ATOM 0 HG LEU A 128 4.425 -12.391 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 128 4.228 -14.478 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.713 -14.790 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 128 3.034 -15.087 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.800 -12.542 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.551 -13.077 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 128 2.242 -11.442 4.780 1.00 0.00 H new ATOM 2070 N ASP A 129 3.399 -12.351 9.792 1.00 0.00 N ATOM 2071 CA ASP A 129 3.105 -12.514 11.211 1.00 0.00 C ATOM 2072 C ASP A 129 2.627 -11.200 11.822 1.00 0.00 C ATOM 2073 O ASP A 129 1.603 -11.159 12.503 1.00 0.00 O ATOM 2074 CB ASP A 129 4.343 -13.016 11.956 1.00 0.00 C ATOM 2075 CG ASP A 129 3.997 -13.672 13.278 1.00 0.00 C ATOM 2076 OD1 ASP A 129 3.906 -12.950 14.292 1.00 0.00 O ATOM 2077 OD2 ASP A 129 3.819 -14.909 13.299 1.00 0.00 O ATOM 0 H ASP A 129 4.243 -12.830 9.478 1.00 0.00 H new ATOM 0 HA ASP A 129 2.308 -13.251 11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.877 -13.730 11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.020 -12.180 12.135 1.00 0.00 H new ATOM 2082 N GLN A 130 3.377 -10.131 11.573 1.00 0.00 N ATOM 2083 CA GLN A 130 3.030 -8.817 12.100 1.00 0.00 C ATOM 2084 C GLN A 130 1.746 -8.296 11.463 1.00 0.00 C ATOM 2085 O GLN A 130 0.739 -8.099 12.142 1.00 0.00 O ATOM 2086 CB GLN A 130 4.171 -7.828 11.856 1.00 0.00 C ATOM 2087 CG GLN A 130 5.475 -8.226 12.530 1.00 0.00 C ATOM 2088 CD GLN A 130 6.459 -7.077 12.620 1.00 0.00 C ATOM 2089 OE1 GLN A 130 6.086 -5.948 12.942 1.00 0.00 O ATOM 2090 NE2 GLN A 130 7.726 -7.358 12.336 1.00 0.00 N ATOM 0 H GLN A 130 4.228 -10.149 11.010 1.00 0.00 H new ATOM 0 HA GLN A 130 2.868 -8.916 13.173 1.00 0.00 H new ATOM 0 HB2 GLN A 130 4.339 -7.737 10.783 1.00 0.00 H new ATOM 0 HB3 GLN A 130 3.871 -6.844 12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 130 5.263 -8.597 13.533 1.00 0.00 H new ATOM 0 HG3 GLN A 130 5.930 -9.047 11.976 1.00 0.00 H new ATOM 0 HE21 GLN A 130 7.991 -8.307 12.074 1.00 0.00 H new ATOM 0 HE22 GLN A 130 8.433 -6.624 12.380 1.00 0.00 H new ATOM 2099 N VAL A 131 1.789 -8.075 10.153 1.00 0.00 N ATOM 2100 CA VAL A 131 0.629 -7.577 9.423 1.00 0.00 C ATOM 2101 C VAL A 131 -0.651 -8.256 9.898 1.00 0.00 C ATOM 2102 O VAL A 131 -1.581 -7.596 10.365 1.00 0.00 O ATOM 2103 CB VAL A 131 0.782 -7.800 7.906 1.00 0.00 C ATOM 2104 CG1 VAL A 131 -0.447 -7.296 7.166 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.041 -7.117 7.393 1.00 0.00 C ATOM 0 H VAL A 131 2.615 -8.233 9.575 1.00 0.00 H new ATOM 0 HA VAL A 131 0.565 -6.507 9.621 1.00 0.00 H new ATOM 0 HB VAL A 131 0.875 -8.870 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.321 -7.462 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.328 -7.834 7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.574 -6.230 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.134 -7.284 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.980 -6.047 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.912 -7.530 7.902 1.00 0.00 H new ATOM 2115 N THR A 132 -0.694 -9.579 9.776 1.00 0.00 N ATOM 2116 CA THR A 132 -1.860 -10.347 10.192 1.00 0.00 C ATOM 2117 C THR A 132 -2.315 -9.943 11.590 1.00 0.00 C ATOM 2118 O THR A 132 -3.506 -9.749 11.834 1.00 0.00 O ATOM 2119 CB THR A 132 -1.571 -11.860 10.177 1.00 0.00 C ATOM 2120 OG1 THR A 132 -0.353 -12.133 10.880 1.00 0.00 O ATOM 2121 CG2 THR A 132 -1.465 -12.377 8.750 1.00 0.00 C ATOM 0 H THR A 132 0.066 -10.141 9.392 1.00 0.00 H new ATOM 0 HA THR A 132 -2.653 -10.128 9.477 1.00 0.00 H new ATOM 0 HB THR A 132 -2.398 -12.370 10.671 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.410 -11.968 10.288 1.00 0.00 H new ATOM 0 HG21 THR A 132 -1.261 -13.448 8.765 1.00 0.00 H new ATOM 0 HG22 THR A 132 -2.403 -12.194 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 132 -0.655 -11.860 8.235 1.00 0.00 H new ATOM 2129 N GLY A 133 -1.359 -9.816 12.505 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.683 -9.434 13.867 1.00 0.00 C ATOM 2131 C GLY A 133 -2.340 -8.070 13.947 1.00 0.00 C ATOM 2132 O GLY A 133 -3.347 -7.897 14.633 1.00 0.00 O ATOM 0 H GLY A 133 -0.367 -9.971 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.348 -10.180 14.302 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.773 -9.431 14.466 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.769 -7.098 13.244 1.00 0.00 N ATOM 2137 CA PHE A 134 -2.304 -5.741 13.239 1.00 0.00 C ATOM 2138 C PHE A 134 -3.718 -5.716 12.667 1.00 0.00 C ATOM 2139 O PHE A 134 -4.619 -5.098 13.235 1.00 0.00 O ATOM 2140 CB PHE A 134 -1.396 -4.815 12.428 1.00 0.00 C ATOM 2141 CG PHE A 134 -1.830 -3.377 12.454 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -2.997 -2.980 11.822 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -1.071 -2.422 13.111 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -3.398 -1.658 11.843 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -1.467 -1.098 13.136 1.00 0.00 C ATOM 2146 CZ PHE A 134 -2.633 -0.716 12.503 1.00 0.00 C ATOM 0 H PHE A 134 -0.935 -7.224 12.670 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.342 -5.388 14.270 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -0.379 -4.886 12.814 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -1.369 -5.160 11.394 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -3.601 -3.713 11.307 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -0.159 -2.716 13.610 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -4.309 -1.361 11.344 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -0.865 -0.363 13.650 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.946 0.317 12.524 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.904 -6.391 11.538 1.00 0.00 N ATOM 2157 CA LEU A 135 -5.208 -6.447 10.886 1.00 0.00 C ATOM 2158 C LEU A 135 -6.244 -7.101 11.796 1.00 0.00 C ATOM 2159 O LEU A 135 -7.358 -6.600 11.945 1.00 0.00 O ATOM 2160 CB LEU A 135 -5.110 -7.219 9.570 1.00 0.00 C ATOM 2161 CG LEU A 135 -4.146 -6.649 8.528 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -3.901 -7.660 7.418 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -4.688 -5.347 7.956 1.00 0.00 C ATOM 0 H LEU A 135 -3.169 -6.907 11.055 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.526 -5.426 10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.808 -8.242 9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.104 -7.270 9.127 1.00 0.00 H new ATOM 0 HG LEU A 135 -3.195 -6.440 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.213 -7.237 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.469 -8.567 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -4.846 -7.901 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.989 -4.956 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.652 -5.531 7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -4.811 -4.620 8.759 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.867 -8.222 12.404 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.774 -8.924 13.293 1.00 0.00 C ATOM 2177 C GLY A 136 -6.987 -8.190 14.602 1.00 0.00 C ATOM 2178 O GLY A 136 -8.065 -8.261 15.192 1.00 0.00 O ATOM 0 H GLY A 136 -4.950 -8.656 12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.734 -9.058 12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.379 -9.919 13.498 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.956 -7.485 15.058 1.00 0.00 N ATOM 2183 CA GLU A 137 -6.036 -6.737 16.307 1.00 0.00 C ATOM 2184 C GLU A 137 -6.843 -5.455 16.124 1.00 0.00 C ATOM 2185 O GLU A 137 -7.881 -5.265 16.759 1.00 0.00 O ATOM 2186 CB GLU A 137 -4.633 -6.401 16.817 1.00 0.00 C ATOM 2187 CG GLU A 137 -4.033 -7.479 17.704 1.00 0.00 C ATOM 2188 CD GLU A 137 -4.039 -8.846 17.047 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -5.113 -9.482 17.009 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -2.969 -9.279 16.570 1.00 0.00 O ATOM 0 H GLU A 137 -5.057 -7.416 14.582 1.00 0.00 H new ATOM 0 HA GLU A 137 -6.542 -7.362 17.042 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.975 -6.237 15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.673 -5.465 17.374 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -3.009 -7.207 17.958 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -4.591 -7.527 18.639 1.00 0.00 H new ATOM 2197 N HIS A 138 -6.358 -4.578 15.251 1.00 0.00 N ATOM 2198 CA HIS A 138 -7.033 -3.313 14.983 1.00 0.00 C ATOM 2199 C HIS A 138 -8.166 -3.504 13.979 1.00 0.00 C ATOM 2200 O HIS A 138 -9.341 -3.378 14.321 1.00 0.00 O ATOM 2201 CB HIS A 138 -6.037 -2.280 14.456 1.00 0.00 C ATOM 2202 CG HIS A 138 -5.375 -1.480 15.536 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -6.048 -0.556 16.307 1.00 0.00 N ATOM 2204 CD2 HIS A 138 -4.094 -1.471 15.972 1.00 0.00 C ATOM 2205 CE1 HIS A 138 -5.209 -0.012 17.170 1.00 0.00 C ATOM 2206 NE2 HIS A 138 -4.017 -0.551 16.988 1.00 0.00 N ATOM 0 H HIS A 138 -5.500 -4.720 14.717 1.00 0.00 H new ATOM 0 HA HIS A 138 -7.458 -2.951 15.919 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.271 -2.791 13.872 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.555 -1.601 13.778 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -3.283 -2.075 15.592 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -5.456 0.745 17.900 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -3.176 -0.321 17.517 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.803 -3.807 12.736 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.800 -4.009 11.701 1.00 0.00 C ATOM 2217 C GLY A 139 -8.806 -2.893 10.675 1.00 0.00 C ATOM 2218 O GLY A 139 -8.585 -1.730 11.014 1.00 0.00 O ATOM 0 H GLY A 139 -6.837 -3.916 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.611 -4.958 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.786 -4.082 12.160 1.00 0.00 H new ATOM 2222 N GLN A 140 -9.058 -3.246 9.419 1.00 0.00 N ATOM 2223 CA GLN A 140 -9.089 -2.265 8.341 1.00 0.00 C ATOM 2224 C GLN A 140 -10.129 -1.185 8.619 1.00 0.00 C ATOM 2225 O GLN A 140 -10.962 -1.326 9.515 1.00 0.00 O ATOM 2226 CB GLN A 140 -9.391 -2.950 7.008 1.00 0.00 C ATOM 2227 CG GLN A 140 -10.756 -3.617 6.962 1.00 0.00 C ATOM 2228 CD GLN A 140 -11.318 -3.700 5.556 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -11.381 -4.777 4.963 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -11.731 -2.560 5.015 1.00 0.00 N ATOM 0 H GLN A 140 -9.244 -4.204 9.123 1.00 0.00 H new ATOM 0 HA GLN A 140 -8.108 -1.793 8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -9.329 -2.212 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.623 -3.698 6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -10.680 -4.621 7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -11.449 -3.062 7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -11.660 -1.690 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -12.119 -2.554 4.072 1.00 0.00 H new ATOM 2239 N LEU A 141 -10.075 -0.106 7.845 1.00 0.00 N ATOM 2240 CA LEU A 141 -11.013 1.000 8.008 1.00 0.00 C ATOM 2241 C LEU A 141 -12.419 0.588 7.582 1.00 0.00 C ATOM 2242 O LEU A 141 -12.590 -0.225 6.674 1.00 0.00 O ATOM 2243 CB LEU A 141 -10.554 2.208 7.190 1.00 0.00 C ATOM 2244 CG LEU A 141 -9.385 3.006 7.770 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -8.068 2.294 7.502 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -9.360 4.413 7.191 1.00 0.00 C ATOM 0 H LEU A 141 -9.392 0.027 7.099 1.00 0.00 H new ATOM 0 HA LEU A 141 -11.037 1.271 9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -10.274 1.863 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -11.402 2.882 7.067 1.00 0.00 H new ATOM 0 HG LEU A 141 -9.521 3.081 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -7.248 2.876 7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -8.087 1.307 7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -7.924 2.187 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -8.522 4.966 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -9.248 4.359 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -10.292 4.923 7.435 1.00 0.00 H new