USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 854 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 132 ASN : amide:sc= -1.67! C(o=-0.76!,f=-1.8!) USER MOD Set 1.2: A 134 THR OG1 : rot -20:sc= 0.909 USER MOD Set 2.1: A 79 MET CE :methyl 138:sc= -1.62 (180deg=-5.75!) USER MOD Set 2.2: A 117 GLN : amide:sc= -5.61! K(o=-9.5!,f=-5.8) USER MOD Set 2.3: A 118 ASN : amide:sc= -2.25 K(o=-9.5,f=-5.9!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00621 X(o=-0.0062,f=-0.13) USER MOD Single : A 36 THR OG1 : rot 96:sc= -1.65 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.55! C(o=-1.6!,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -111:sc= -0.878 USER MOD Single : A 59 ASN : amide:sc= -2.24 K(o=-2.2,f=-0.55) USER MOD Single : A 62 GLN : amide:sc= -2.61! K(o=-2.6!,f=-1.8) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 157:sc= -2.48 (180deg=-3.89!) USER MOD Single : A 66 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1.7) USER MOD Single : A 68 GLN : amide:sc= -2.49! C(o=-2.5!,f=-6.8!) USER MOD Single : A 72 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.48) USER MOD Single : A 80 THR OG1 : rot 160:sc=-0.00563 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -2.46! K(o=-2.5!,f=-0.96) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-6.9!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -2:sc= -0.131 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= 0.0568 USER MOD Single : A 124 SER OG : rot 180:sc= 0.00376 USER MOD Single : A 125 SER OG : rot 6:sc= 0.742 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 133 SER OG : rot -130:sc= -1.58 USER MOD Single : A 140 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -5.937 5.224 7.886 1.00 0.00 N ATOM 440 CA HIS A 33 -5.148 5.297 9.104 1.00 0.00 C ATOM 441 C HIS A 33 -4.182 4.112 9.162 1.00 0.00 C ATOM 442 O HIS A 33 -4.395 3.170 9.923 1.00 0.00 O ATOM 443 CB HIS A 33 -6.054 5.384 10.334 1.00 0.00 C ATOM 444 CG HIS A 33 -6.713 6.730 10.516 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.997 7.911 10.602 1.00 0.00 N ATOM 446 CD2 HIS A 33 -8.030 7.070 10.628 1.00 0.00 C ATOM 447 CE1 HIS A 33 -6.853 8.910 10.759 1.00 0.00 C ATOM 448 NE2 HIS A 33 -8.112 8.386 10.775 1.00 0.00 N ATOM 0 HA HIS A 33 -4.550 6.208 9.100 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.827 4.619 10.258 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.466 5.155 11.223 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.864 6.384 10.601 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.599 9.955 10.857 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.975 8.919 10.882 1.00 0.00 H new ATOM 456 N ALA A 34 -3.140 4.198 8.348 1.00 0.00 N ATOM 457 CA ALA A 34 -2.141 3.144 8.297 1.00 0.00 C ATOM 458 C ALA A 34 -0.911 3.575 9.099 1.00 0.00 C ATOM 459 O ALA A 34 -0.684 4.766 9.302 1.00 0.00 O ATOM 460 CB ALA A 34 -1.805 2.830 6.838 1.00 0.00 C ATOM 0 H ALA A 34 -2.966 4.981 7.718 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.525 2.229 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.056 2.039 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.706 2.502 6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.414 3.725 6.354 1.00 0.00 H new ATOM 466 N ARG A 35 -0.150 2.581 9.533 1.00 0.00 N ATOM 467 CA ARG A 35 1.051 2.841 10.308 1.00 0.00 C ATOM 468 C ARG A 35 2.074 1.724 10.093 1.00 0.00 C ATOM 469 O ARG A 35 1.853 0.587 10.507 1.00 0.00 O ATOM 470 CB ARG A 35 0.730 2.950 11.800 1.00 0.00 C ATOM 471 CG ARG A 35 0.983 4.370 12.313 1.00 0.00 C ATOM 472 CD ARG A 35 -0.327 5.043 12.729 1.00 0.00 C ATOM 473 NE ARG A 35 -0.040 6.254 13.530 1.00 0.00 N ATOM 474 CZ ARG A 35 -0.976 7.119 13.944 1.00 0.00 C ATOM 475 NH1 ARG A 35 -2.263 6.912 13.636 1.00 0.00 N ATOM 476 NH2 ARG A 35 -0.624 8.191 14.667 1.00 0.00 N ATOM 0 H ARG A 35 -0.342 1.594 9.362 1.00 0.00 H new ATOM 0 HA ARG A 35 1.467 3.789 9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.311 2.677 11.973 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.342 2.243 12.360 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.665 4.338 13.162 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.469 4.960 11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.905 5.310 11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.934 4.348 13.309 1.00 0.00 H new ATOM 0 HE ARG A 35 0.930 6.442 13.783 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.531 6.096 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.975 7.571 13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.356 8.348 14.902 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.336 8.850 14.982 1.00 0.00 H new ATOM 490 N THR A 36 3.172 2.087 9.446 1.00 0.00 N ATOM 491 CA THR A 36 4.230 1.130 9.172 1.00 0.00 C ATOM 492 C THR A 36 5.190 1.041 10.359 1.00 0.00 C ATOM 493 O THR A 36 5.414 2.030 11.056 1.00 0.00 O ATOM 494 CB THR A 36 4.913 1.542 7.867 1.00 0.00 C ATOM 495 OG1 THR A 36 4.253 0.767 6.869 1.00 0.00 O ATOM 496 CG2 THR A 36 6.369 1.077 7.796 1.00 0.00 C ATOM 0 H THR A 36 3.352 3.031 9.104 1.00 0.00 H new ATOM 0 HA THR A 36 3.830 0.124 9.043 1.00 0.00 H new ATOM 0 HB THR A 36 4.872 2.626 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.538 1.299 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.807 1.395 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.931 1.514 8.621 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.408 -0.010 7.866 1.00 0.00 H new ATOM 504 N SER A 37 5.733 -0.152 10.553 1.00 0.00 N ATOM 505 CA SER A 37 6.664 -0.382 11.644 1.00 0.00 C ATOM 506 C SER A 37 7.568 -1.573 11.318 1.00 0.00 C ATOM 507 O SER A 37 7.317 -2.689 11.771 1.00 0.00 O ATOM 508 CB SER A 37 5.922 -0.624 12.960 1.00 0.00 C ATOM 509 OG SER A 37 6.530 0.065 14.050 1.00 0.00 O ATOM 0 H SER A 37 5.546 -0.970 9.973 1.00 0.00 H new ATOM 0 HA SER A 37 7.278 0.511 11.763 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.887 -0.299 12.858 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.901 -1.693 13.173 1.00 0.00 H new ATOM 0 HG SER A 37 6.026 -0.113 14.872 1.00 0.00 H new ATOM 515 N GLY A 38 8.600 -1.295 10.536 1.00 0.00 N ATOM 516 CA GLY A 38 9.542 -2.329 10.144 1.00 0.00 C ATOM 517 C GLY A 38 10.267 -1.950 8.851 1.00 0.00 C ATOM 518 O GLY A 38 10.715 -0.815 8.696 1.00 0.00 O ATOM 0 H GLY A 38 8.805 -0.368 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.269 -2.484 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.015 -3.273 10.006 1.00 0.00 H new ATOM 522 N ARG A 39 10.359 -2.921 7.955 1.00 0.00 N ATOM 523 CA ARG A 39 11.021 -2.704 6.680 1.00 0.00 C ATOM 524 C ARG A 39 9.987 -2.589 5.558 1.00 0.00 C ATOM 525 O ARG A 39 10.113 -1.740 4.677 1.00 0.00 O ATOM 526 CB ARG A 39 11.987 -3.845 6.359 1.00 0.00 C ATOM 527 CG ARG A 39 13.330 -3.642 7.064 1.00 0.00 C ATOM 528 CD ARG A 39 14.369 -4.648 6.566 1.00 0.00 C ATOM 529 NE ARG A 39 14.587 -5.698 7.586 1.00 0.00 N ATOM 530 CZ ARG A 39 15.059 -5.462 8.818 1.00 0.00 C ATOM 531 NH1 ARG A 39 15.364 -4.211 9.190 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.224 -6.476 9.678 1.00 0.00 N ATOM 0 H ARG A 39 9.986 -3.861 8.087 1.00 0.00 H new ATOM 0 HA ARG A 39 11.587 -1.775 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.550 -4.794 6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.143 -3.902 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.687 -2.627 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.200 -3.751 8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.032 -5.100 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.308 -4.137 6.351 1.00 0.00 H new ATOM 0 HE ARG A 39 14.364 -6.661 7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.237 -3.439 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.723 -4.031 10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.990 -7.428 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.583 -6.296 10.616 1.00 0.00 H new ATOM 546 N VAL A 40 8.988 -3.457 5.626 1.00 0.00 N ATOM 547 CA VAL A 40 7.934 -3.464 4.627 1.00 0.00 C ATOM 548 C VAL A 40 6.773 -2.592 5.110 1.00 0.00 C ATOM 549 O VAL A 40 6.513 -2.507 6.309 1.00 0.00 O ATOM 550 CB VAL A 40 7.513 -4.903 4.320 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.382 -4.935 3.290 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.707 -5.735 3.850 1.00 0.00 C ATOM 0 H VAL A 40 8.887 -4.160 6.358 1.00 0.00 H new ATOM 0 HA VAL A 40 8.293 -3.038 3.690 1.00 0.00 H new ATOM 0 HB VAL A 40 7.138 -5.347 5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.102 -5.969 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.520 -4.394 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.718 -4.465 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.380 -6.753 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.125 -5.293 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.468 -5.753 4.630 1.00 0.00 H new ATOM 562 N ALA A 41 6.106 -1.965 4.152 1.00 0.00 N ATOM 563 CA ALA A 41 4.980 -1.102 4.465 1.00 0.00 C ATOM 564 C ALA A 41 3.825 -1.413 3.511 1.00 0.00 C ATOM 565 O ALA A 41 4.040 -1.633 2.320 1.00 0.00 O ATOM 566 CB ALA A 41 5.421 0.361 4.389 1.00 0.00 C ATOM 0 H ALA A 41 6.324 -2.038 3.158 1.00 0.00 H new ATOM 0 HA ALA A 41 4.628 -1.284 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.576 1.008 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.223 0.537 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.778 0.581 3.383 1.00 0.00 H new ATOM 572 N VAL A 42 2.624 -1.421 4.070 1.00 0.00 N ATOM 573 CA VAL A 42 1.434 -1.701 3.284 1.00 0.00 C ATOM 574 C VAL A 42 1.209 -0.565 2.284 1.00 0.00 C ATOM 575 O VAL A 42 0.488 0.388 2.575 1.00 0.00 O ATOM 576 CB VAL A 42 0.237 -1.930 4.209 1.00 0.00 C ATOM 577 CG1 VAL A 42 -1.008 -2.318 3.409 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.558 -2.984 5.270 1.00 0.00 C ATOM 0 H VAL A 42 2.449 -1.238 5.058 1.00 0.00 H new ATOM 0 HA VAL A 42 1.563 -2.618 2.710 1.00 0.00 H new ATOM 0 HB VAL A 42 0.026 -0.992 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.844 -2.475 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.255 -1.519 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.813 -3.237 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.309 -3.128 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.808 -3.926 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.404 -2.650 5.870 1.00 0.00 H new ATOM 588 N GLU A 43 1.840 -0.703 1.128 1.00 0.00 N ATOM 589 CA GLU A 43 1.718 0.300 0.084 1.00 0.00 C ATOM 590 C GLU A 43 0.291 0.851 0.041 1.00 0.00 C ATOM 591 O GLU A 43 0.047 1.985 0.450 1.00 0.00 O ATOM 592 CB GLU A 43 2.126 -0.270 -1.276 1.00 0.00 C ATOM 593 CG GLU A 43 2.232 0.837 -2.326 1.00 0.00 C ATOM 594 CD GLU A 43 3.527 1.634 -2.153 1.00 0.00 C ATOM 595 OE1 GLU A 43 4.040 1.644 -1.014 1.00 0.00 O ATOM 596 OE2 GLU A 43 3.975 2.215 -3.165 1.00 0.00 O ATOM 0 H GLU A 43 2.438 -1.495 0.891 1.00 0.00 H new ATOM 0 HA GLU A 43 2.397 1.120 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.083 -0.784 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.395 -1.012 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.200 0.401 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.375 1.506 -2.243 1.00 0.00 H new ATOM 603 N GLU A 44 -0.615 0.022 -0.457 1.00 0.00 N ATOM 604 CA GLU A 44 -2.011 0.411 -0.558 1.00 0.00 C ATOM 605 C GLU A 44 -2.911 -0.826 -0.526 1.00 0.00 C ATOM 606 O GLU A 44 -2.657 -1.801 -1.231 1.00 0.00 O ATOM 607 CB GLU A 44 -2.260 1.238 -1.821 1.00 0.00 C ATOM 608 CG GLU A 44 -3.740 1.599 -1.957 1.00 0.00 C ATOM 609 CD GLU A 44 -4.007 3.018 -1.451 1.00 0.00 C ATOM 610 OE1 GLU A 44 -3.963 3.197 -0.215 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.250 3.891 -2.312 1.00 0.00 O ATOM 0 H GLU A 44 -0.409 -0.918 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.256 1.037 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.662 2.148 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.937 0.676 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.043 1.518 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.345 0.888 -1.394 1.00 0.00 H new ATOM 618 N VAL A 45 -3.944 -0.745 0.300 1.00 0.00 N ATOM 619 CA VAL A 45 -4.883 -1.846 0.433 1.00 0.00 C ATOM 620 C VAL A 45 -6.281 -1.370 0.034 1.00 0.00 C ATOM 621 O VAL A 45 -6.943 -0.669 0.799 1.00 0.00 O ATOM 622 CB VAL A 45 -4.827 -2.413 1.853 1.00 0.00 C ATOM 623 CG1 VAL A 45 -6.094 -3.207 2.177 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.576 -3.272 2.052 1.00 0.00 C ATOM 0 H VAL A 45 -4.151 0.066 0.883 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.613 -2.661 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.771 -1.574 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.028 -3.599 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.963 -2.554 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.195 -4.034 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.561 -3.663 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.588 -4.102 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.687 -2.664 1.883 1.00 0.00 H new ATOM 634 N ASP A 46 -6.688 -1.768 -1.162 1.00 0.00 N ATOM 635 CA ASP A 46 -7.996 -1.390 -1.671 1.00 0.00 C ATOM 636 C ASP A 46 -9.031 -1.519 -0.552 1.00 0.00 C ATOM 637 O ASP A 46 -9.332 -2.625 -0.105 1.00 0.00 O ATOM 638 CB ASP A 46 -8.424 -2.305 -2.820 1.00 0.00 C ATOM 639 CG ASP A 46 -9.713 -1.888 -3.532 1.00 0.00 C ATOM 640 OD1 ASP A 46 -9.729 -0.755 -4.059 1.00 0.00 O ATOM 641 OD2 ASP A 46 -10.653 -2.712 -3.533 1.00 0.00 O ATOM 0 H ASP A 46 -6.136 -2.348 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.934 -0.363 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.618 -2.344 -3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.551 -3.316 -2.432 1.00 0.00 H new ATOM 646 N GLU A 47 -9.548 -0.374 -0.132 1.00 0.00 N ATOM 647 CA GLU A 47 -10.543 -0.345 0.926 1.00 0.00 C ATOM 648 C GLU A 47 -11.763 -1.179 0.529 1.00 0.00 C ATOM 649 O GLU A 47 -12.380 -1.824 1.376 1.00 0.00 O ATOM 650 CB GLU A 47 -10.946 1.092 1.260 1.00 0.00 C ATOM 651 CG GLU A 47 -11.301 1.872 -0.008 1.00 0.00 C ATOM 652 CD GLU A 47 -12.104 3.130 0.328 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.512 4.028 0.965 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.292 3.165 -0.059 1.00 0.00 O ATOM 0 H GLU A 47 -9.296 0.541 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.105 -0.782 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.799 1.086 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.129 1.591 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.389 2.149 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.878 1.237 -0.680 1.00 0.00 H new ATOM 661 N GLU A 48 -12.075 -1.138 -0.758 1.00 0.00 N ATOM 662 CA GLU A 48 -13.211 -1.882 -1.277 1.00 0.00 C ATOM 663 C GLU A 48 -13.014 -3.381 -1.045 1.00 0.00 C ATOM 664 O GLU A 48 -13.984 -4.134 -0.970 1.00 0.00 O ATOM 665 CB GLU A 48 -13.431 -1.581 -2.760 1.00 0.00 C ATOM 666 CG GLU A 48 -14.610 -0.625 -2.956 1.00 0.00 C ATOM 667 CD GLU A 48 -15.917 -1.397 -3.145 1.00 0.00 C ATOM 668 OE1 GLU A 48 -16.027 -2.081 -4.186 1.00 0.00 O ATOM 669 OE2 GLU A 48 -16.777 -1.287 -2.245 1.00 0.00 O ATOM 0 H GLU A 48 -11.561 -0.601 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.105 -1.566 -0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.528 -1.142 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.617 -2.510 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.695 0.035 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.429 0.008 -3.825 1.00 0.00 H new ATOM 676 N GLY A 49 -11.752 -3.770 -0.936 1.00 0.00 N ATOM 677 CA GLY A 49 -11.416 -5.166 -0.714 1.00 0.00 C ATOM 678 C GLY A 49 -11.327 -5.926 -2.039 1.00 0.00 C ATOM 679 O GLY A 49 -12.193 -6.743 -2.350 1.00 0.00 O ATOM 0 H GLY A 49 -10.950 -3.143 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.465 -5.235 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.169 -5.628 -0.076 1.00 0.00 H new ATOM 683 N LYS A 50 -10.272 -5.630 -2.785 1.00 0.00 N ATOM 684 CA LYS A 50 -10.059 -6.276 -4.069 1.00 0.00 C ATOM 685 C LYS A 50 -8.651 -6.874 -4.107 1.00 0.00 C ATOM 686 O LYS A 50 -8.468 -8.013 -4.534 1.00 0.00 O ATOM 687 CB LYS A 50 -10.344 -5.300 -5.213 1.00 0.00 C ATOM 688 CG LYS A 50 -11.849 -5.108 -5.408 1.00 0.00 C ATOM 689 CD LYS A 50 -12.137 -4.244 -6.637 1.00 0.00 C ATOM 690 CE LYS A 50 -11.903 -5.031 -7.928 1.00 0.00 C ATOM 691 NZ LYS A 50 -10.928 -4.331 -8.793 1.00 0.00 N ATOM 0 H LYS A 50 -9.556 -4.952 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.759 -7.101 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.876 -4.339 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.899 -5.675 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.331 -6.079 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.277 -4.640 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.168 -3.891 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.497 -3.362 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.536 -6.029 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.846 -5.156 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.781 -4.879 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.293 -3.388 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.024 -4.234 -8.289 1.00 0.00 H new ATOM 705 N PHE A 51 -7.693 -6.079 -3.655 1.00 0.00 N ATOM 706 CA PHE A 51 -6.307 -6.515 -3.632 1.00 0.00 C ATOM 707 C PHE A 51 -5.509 -5.753 -2.572 1.00 0.00 C ATOM 708 O PHE A 51 -5.873 -4.639 -2.199 1.00 0.00 O ATOM 709 CB PHE A 51 -5.720 -6.212 -5.012 1.00 0.00 C ATOM 710 CG PHE A 51 -5.585 -4.719 -5.317 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.507 -4.026 -4.862 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.545 -4.084 -6.042 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.383 -2.640 -5.144 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.420 -2.698 -6.325 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.342 -2.006 -5.870 1.00 0.00 C ATOM 0 H PHE A 51 -7.849 -5.135 -3.302 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.255 -7.577 -3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.738 -6.678 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.351 -6.672 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.745 -4.530 -4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.402 -4.634 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.527 -2.090 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.181 -2.194 -6.902 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.247 -0.952 -6.085 1.00 0.00 H new ATOM 725 N VAL A 52 -4.437 -6.383 -2.117 1.00 0.00 N ATOM 726 CA VAL A 52 -3.585 -5.778 -1.108 1.00 0.00 C ATOM 727 C VAL A 52 -2.176 -5.597 -1.678 1.00 0.00 C ATOM 728 O VAL A 52 -1.480 -6.575 -1.945 1.00 0.00 O ATOM 729 CB VAL A 52 -3.608 -6.619 0.170 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.454 -6.238 1.099 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.954 -6.490 0.886 1.00 0.00 C ATOM 0 H VAL A 52 -4.138 -7.307 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.957 -4.790 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.478 -7.663 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.494 -6.851 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.506 -6.405 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.539 -5.186 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.944 -7.097 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.127 -5.447 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.751 -6.834 0.227 1.00 0.00 H new ATOM 741 N ARG A 53 -1.799 -4.338 -1.847 1.00 0.00 N ATOM 742 CA ARG A 53 -0.486 -4.015 -2.381 1.00 0.00 C ATOM 743 C ARG A 53 0.480 -3.675 -1.244 1.00 0.00 C ATOM 744 O ARG A 53 0.208 -2.786 -0.438 1.00 0.00 O ATOM 745 CB ARG A 53 -0.560 -2.833 -3.348 1.00 0.00 C ATOM 746 CG ARG A 53 -0.179 -3.261 -4.767 1.00 0.00 C ATOM 747 CD ARG A 53 0.704 -2.207 -5.439 1.00 0.00 C ATOM 748 NE ARG A 53 0.455 -2.193 -6.898 1.00 0.00 N ATOM 749 CZ ARG A 53 1.167 -1.473 -7.775 1.00 0.00 C ATOM 750 NH1 ARG A 53 2.177 -0.703 -7.346 1.00 0.00 N ATOM 751 NH2 ARG A 53 0.870 -1.523 -9.080 1.00 0.00 N ATOM 0 H ARG A 53 -2.379 -3.529 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.124 -4.889 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.569 -2.420 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.109 -2.041 -3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.348 -4.215 -4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.081 -3.416 -5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.496 -1.224 -5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.754 -2.422 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.307 -2.768 -7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.403 -0.666 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.719 -0.155 -8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.102 -2.109 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.412 -0.975 -9.748 1.00 0.00 H new ATOM 765 N LEU A 54 1.588 -4.401 -1.214 1.00 0.00 N ATOM 766 CA LEU A 54 2.595 -4.188 -0.190 1.00 0.00 C ATOM 767 C LEU A 54 3.919 -3.804 -0.854 1.00 0.00 C ATOM 768 O LEU A 54 4.337 -4.435 -1.823 1.00 0.00 O ATOM 769 CB LEU A 54 2.698 -5.411 0.724 1.00 0.00 C ATOM 770 CG LEU A 54 1.371 -6.035 1.161 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.589 -7.431 1.748 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.626 -5.115 2.130 1.00 0.00 C ATOM 0 H LEU A 54 1.810 -5.138 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 54 2.310 -3.358 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.284 -6.174 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.255 -5.127 1.617 1.00 0.00 H new ATOM 0 HG LEU A 54 0.741 -6.152 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.630 -7.852 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.047 -8.074 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.245 -7.362 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.314 -5.582 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.240 -4.944 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.420 -4.162 1.642 1.00 0.00 H new ATOM 784 N ARG A 55 4.541 -2.770 -0.307 1.00 0.00 N ATOM 785 CA ARG A 55 5.809 -2.294 -0.834 1.00 0.00 C ATOM 786 C ARG A 55 6.861 -2.247 0.275 1.00 0.00 C ATOM 787 O ARG A 55 6.536 -1.992 1.434 1.00 0.00 O ATOM 788 CB ARG A 55 5.662 -0.901 -1.449 1.00 0.00 C ATOM 789 CG ARG A 55 7.030 -0.282 -1.738 1.00 0.00 C ATOM 790 CD ARG A 55 6.944 0.726 -2.886 1.00 0.00 C ATOM 791 NE ARG A 55 7.490 2.033 -2.454 1.00 0.00 N ATOM 792 CZ ARG A 55 8.798 2.318 -2.395 1.00 0.00 C ATOM 793 NH1 ARG A 55 9.702 1.391 -2.741 1.00 0.00 N ATOM 794 NH2 ARG A 55 9.201 3.530 -1.991 1.00 0.00 N ATOM 0 H ARG A 55 4.190 -2.248 0.496 1.00 0.00 H new ATOM 0 HA ARG A 55 6.127 -2.989 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.086 -0.966 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.104 -0.257 -0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.406 0.213 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.742 -1.067 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.500 0.357 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.907 0.842 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 55 6.829 2.762 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.394 0.469 -3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.698 1.608 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.512 4.235 -1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.196 3.748 -1.946 1.00 0.00 H new ATOM 808 N ASN A 56 8.102 -2.496 -0.119 1.00 0.00 N ATOM 809 CA ASN A 56 9.204 -2.485 0.828 1.00 0.00 C ATOM 810 C ASN A 56 9.798 -1.077 0.895 1.00 0.00 C ATOM 811 O ASN A 56 9.798 -0.351 -0.098 1.00 0.00 O ATOM 812 CB ASN A 56 10.312 -3.446 0.395 1.00 0.00 C ATOM 813 CG ASN A 56 11.316 -3.672 1.527 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.357 -2.948 2.509 1.00 0.00 O ATOM 815 ND2 ASN A 56 12.122 -4.713 1.336 1.00 0.00 N ATOM 0 H ASN A 56 8.368 -2.706 -1.081 1.00 0.00 H new ATOM 0 HA ASN A 56 8.818 -2.795 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.875 -4.399 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.827 -3.044 -0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.828 -4.946 2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.034 -5.278 0.491 1.00 0.00 H new ATOM 822 N LYS A 57 10.291 -0.732 2.076 1.00 0.00 N ATOM 823 CA LYS A 57 10.888 0.576 2.285 1.00 0.00 C ATOM 824 C LYS A 57 12.389 0.414 2.530 1.00 0.00 C ATOM 825 O LYS A 57 13.181 1.271 2.142 1.00 0.00 O ATOM 826 CB LYS A 57 10.159 1.324 3.404 1.00 0.00 C ATOM 827 CG LYS A 57 8.659 1.411 3.119 1.00 0.00 C ATOM 828 CD LYS A 57 8.368 2.431 2.016 1.00 0.00 C ATOM 829 CE LYS A 57 7.127 2.034 1.215 1.00 0.00 C ATOM 830 NZ LYS A 57 5.989 2.920 1.548 1.00 0.00 N ATOM 0 H LYS A 57 10.289 -1.336 2.898 1.00 0.00 H new ATOM 0 HA LYS A 57 10.776 1.193 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.323 0.815 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.572 2.328 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.284 0.432 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.128 1.692 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.220 3.417 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.227 2.506 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.341 2.093 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.864 0.998 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.155 2.636 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.774 2.843 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.237 3.904 1.320 1.00 0.00 H new ATOM 844 N SER A 58 12.735 -0.692 3.174 1.00 0.00 N ATOM 845 CA SER A 58 14.128 -0.977 3.475 1.00 0.00 C ATOM 846 C SER A 58 14.929 -1.101 2.178 1.00 0.00 C ATOM 847 O SER A 58 14.354 -1.224 1.098 1.00 0.00 O ATOM 848 CB SER A 58 14.261 -2.256 4.305 1.00 0.00 C ATOM 849 OG SER A 58 15.427 -2.242 5.124 1.00 0.00 O ATOM 0 H SER A 58 12.075 -1.400 3.495 1.00 0.00 H new ATOM 0 HA SER A 58 14.527 -0.151 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.378 -2.374 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.296 -3.118 3.639 1.00 0.00 H new ATOM 0 HG SER A 58 16.067 -2.906 4.793 1.00 0.00 H new ATOM 855 N ASN A 59 16.245 -1.063 2.327 1.00 0.00 N ATOM 856 CA ASN A 59 17.132 -1.169 1.180 1.00 0.00 C ATOM 857 C ASN A 59 17.604 -2.617 1.038 1.00 0.00 C ATOM 858 O ASN A 59 18.077 -3.019 -0.024 1.00 0.00 O ATOM 859 CB ASN A 59 18.368 -0.284 1.356 1.00 0.00 C ATOM 860 CG ASN A 59 19.039 -0.541 2.706 1.00 0.00 C ATOM 861 OD1 ASN A 59 18.921 0.230 3.644 1.00 0.00 O ATOM 862 ND2 ASN A 59 19.748 -1.666 2.753 1.00 0.00 N ATOM 0 H ASN A 59 16.719 -0.960 3.224 1.00 0.00 H new ATOM 0 HA ASN A 59 16.581 -0.847 0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.077 -0.479 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.082 0.765 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.234 -1.927 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.806 -2.267 1.931 1.00 0.00 H new ATOM 869 N GLU A 60 17.458 -3.363 2.124 1.00 0.00 N ATOM 870 CA GLU A 60 17.864 -4.758 2.134 1.00 0.00 C ATOM 871 C GLU A 60 16.677 -5.658 1.785 1.00 0.00 C ATOM 872 O GLU A 60 15.609 -5.543 2.384 1.00 0.00 O ATOM 873 CB GLU A 60 18.466 -5.144 3.486 1.00 0.00 C ATOM 874 CG GLU A 60 19.995 -5.104 3.437 1.00 0.00 C ATOM 875 CD GLU A 60 20.599 -5.569 4.764 1.00 0.00 C ATOM 876 OE1 GLU A 60 20.581 -4.754 5.712 1.00 0.00 O ATOM 877 OE2 GLU A 60 21.065 -6.728 4.800 1.00 0.00 O ATOM 0 H GLU A 60 17.064 -3.027 3.003 1.00 0.00 H new ATOM 0 HA GLU A 60 18.636 -4.897 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.105 -4.463 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.134 -6.144 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.353 -5.740 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.329 -4.090 3.217 1.00 0.00 H new ATOM 884 N ASP A 61 16.904 -6.535 0.818 1.00 0.00 N ATOM 885 CA ASP A 61 15.867 -7.454 0.383 1.00 0.00 C ATOM 886 C ASP A 61 15.169 -8.047 1.609 1.00 0.00 C ATOM 887 O ASP A 61 15.828 -8.491 2.548 1.00 0.00 O ATOM 888 CB ASP A 61 16.459 -8.608 -0.428 1.00 0.00 C ATOM 889 CG ASP A 61 17.591 -8.217 -1.379 1.00 0.00 C ATOM 890 OD1 ASP A 61 18.645 -7.787 -0.861 1.00 0.00 O ATOM 891 OD2 ASP A 61 17.379 -8.355 -2.603 1.00 0.00 O ATOM 0 H ASP A 61 17.791 -6.628 0.324 1.00 0.00 H new ATOM 0 HA ASP A 61 15.164 -6.899 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.831 -9.365 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.661 -9.071 -1.008 1.00 0.00 H new ATOM 896 N GLN A 62 13.845 -8.034 1.560 1.00 0.00 N ATOM 897 CA GLN A 62 13.051 -8.565 2.655 1.00 0.00 C ATOM 898 C GLN A 62 12.526 -9.958 2.304 1.00 0.00 C ATOM 899 O GLN A 62 12.035 -10.180 1.198 1.00 0.00 O ATOM 900 CB GLN A 62 11.901 -7.619 3.008 1.00 0.00 C ATOM 901 CG GLN A 62 11.188 -8.073 4.283 1.00 0.00 C ATOM 902 CD GLN A 62 12.196 -8.498 5.353 1.00 0.00 C ATOM 903 OE1 GLN A 62 13.054 -7.739 5.770 1.00 0.00 O ATOM 904 NE2 GLN A 62 12.043 -9.751 5.772 1.00 0.00 N ATOM 0 H GLN A 62 13.302 -7.664 0.779 1.00 0.00 H new ATOM 0 HA GLN A 62 13.691 -8.650 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.286 -6.608 3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.190 -7.582 2.183 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.567 -7.263 4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.522 -8.905 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.303 -10.333 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.666 -10.130 6.485 1.00 0.00 H new ATOM 913 N SER A 63 12.647 -10.861 3.265 1.00 0.00 N ATOM 914 CA SER A 63 12.191 -12.227 3.071 1.00 0.00 C ATOM 915 C SER A 63 10.815 -12.416 3.714 1.00 0.00 C ATOM 916 O SER A 63 10.632 -12.122 4.894 1.00 0.00 O ATOM 917 CB SER A 63 13.190 -13.229 3.653 1.00 0.00 C ATOM 918 OG SER A 63 12.758 -14.576 3.478 1.00 0.00 O ATOM 0 H SER A 63 13.055 -10.674 4.181 1.00 0.00 H new ATOM 0 HA SER A 63 12.113 -12.412 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.160 -13.094 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.328 -13.028 4.715 1.00 0.00 H new ATOM 0 HG SER A 63 13.423 -15.185 3.861 1.00 0.00 H new ATOM 924 N MET A 64 9.883 -12.905 2.909 1.00 0.00 N ATOM 925 CA MET A 64 8.530 -13.136 3.384 1.00 0.00 C ATOM 926 C MET A 64 8.151 -14.613 3.261 1.00 0.00 C ATOM 927 O MET A 64 7.046 -14.940 2.832 1.00 0.00 O ATOM 928 CB MET A 64 7.551 -12.288 2.569 1.00 0.00 C ATOM 929 CG MET A 64 8.125 -10.896 2.298 1.00 0.00 C ATOM 930 SD MET A 64 6.893 -9.869 1.515 1.00 0.00 S ATOM 931 CE MET A 64 5.517 -10.141 2.620 1.00 0.00 C ATOM 0 H MET A 64 10.039 -13.148 1.931 1.00 0.00 H new ATOM 0 HA MET A 64 8.481 -12.854 4.436 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.333 -12.786 1.624 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.607 -12.198 3.107 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.450 -10.439 3.233 1.00 0.00 H new ATOM 0 HG3 MET A 64 9.004 -10.974 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.820 -9.307 2.545 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.008 -11.065 2.347 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.882 -10.217 3.644 1.00 0.00 H new ATOM 941 N GLY A 65 9.089 -15.466 3.647 1.00 0.00 N ATOM 942 CA GLY A 65 8.867 -16.901 3.585 1.00 0.00 C ATOM 943 C GLY A 65 8.149 -17.398 4.841 1.00 0.00 C ATOM 944 O GLY A 65 8.629 -18.308 5.516 1.00 0.00 O ATOM 0 H GLY A 65 10.004 -15.191 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.274 -17.143 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.822 -17.416 3.479 1.00 0.00 H new ATOM 948 N ASN A 66 7.010 -16.780 5.118 1.00 0.00 N ATOM 949 CA ASN A 66 6.221 -17.149 6.281 1.00 0.00 C ATOM 950 C ASN A 66 5.319 -15.976 6.672 1.00 0.00 C ATOM 951 O ASN A 66 4.271 -16.173 7.285 1.00 0.00 O ATOM 952 CB ASN A 66 7.120 -17.473 7.475 1.00 0.00 C ATOM 953 CG ASN A 66 7.089 -18.970 7.794 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.095 -19.387 8.941 1.00 0.00 O ATOM 955 ND2 ASN A 66 7.055 -19.751 6.719 1.00 0.00 N ATOM 0 H ASN A 66 6.615 -16.026 4.557 1.00 0.00 H new ATOM 0 HA ASN A 66 5.632 -18.029 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.143 -17.165 7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.793 -16.905 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.032 -20.765 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.052 -19.336 5.787 1.00 0.00 H new ATOM 962 N TRP A 67 5.760 -14.783 6.302 1.00 0.00 N ATOM 963 CA TRP A 67 5.005 -13.579 6.607 1.00 0.00 C ATOM 964 C TRP A 67 3.529 -13.862 6.325 1.00 0.00 C ATOM 965 O TRP A 67 3.198 -14.831 5.642 1.00 0.00 O ATOM 966 CB TRP A 67 5.545 -12.381 5.824 1.00 0.00 C ATOM 967 CG TRP A 67 6.897 -11.868 6.324 1.00 0.00 C ATOM 968 CD1 TRP A 67 7.931 -12.584 6.786 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.322 -10.491 6.394 1.00 0.00 C ATOM 970 NE1 TRP A 67 8.987 -11.772 7.147 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.605 -10.459 6.901 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.644 -9.311 6.040 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.321 -9.273 7.100 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.374 -8.133 6.245 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.666 -8.084 6.755 1.00 0.00 C ATOM 0 H TRP A 67 6.630 -14.624 5.794 1.00 0.00 H new ATOM 0 HA TRP A 67 5.113 -13.312 7.658 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.639 -12.659 4.774 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.819 -11.570 5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 67 7.937 -13.661 6.866 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.883 -12.079 7.525 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.640 -9.313 5.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.325 -9.275 7.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.900 -7.197 5.989 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.162 -7.134 6.885 1.00 0.00 H new ATOM 986 N GLN A 68 2.680 -12.999 6.863 1.00 0.00 N ATOM 987 CA GLN A 68 1.246 -13.144 6.677 1.00 0.00 C ATOM 988 C GLN A 68 0.567 -11.773 6.699 1.00 0.00 C ATOM 989 O GLN A 68 1.190 -10.773 7.051 1.00 0.00 O ATOM 990 CB GLN A 68 0.647 -14.070 7.737 1.00 0.00 C ATOM 991 CG GLN A 68 1.718 -14.983 8.337 1.00 0.00 C ATOM 992 CD GLN A 68 1.148 -15.815 9.488 1.00 0.00 C ATOM 993 OE1 GLN A 68 -0.051 -15.993 9.625 1.00 0.00 O ATOM 994 NE2 GLN A 68 2.072 -16.314 10.304 1.00 0.00 N ATOM 0 H GLN A 68 2.958 -12.196 7.428 1.00 0.00 H new ATOM 0 HA GLN A 68 1.069 -13.599 5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.187 -13.475 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.143 -14.674 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.111 -15.645 7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.553 -14.382 8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.060 -16.126 10.132 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.793 -16.884 11.102 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.703 -11.772 6.320 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.474 -10.540 6.292 1.00 0.00 C ATOM 1005 C ILE A 69 -2.797 -10.755 7.029 1.00 0.00 C ATOM 1006 O ILE A 69 -3.633 -11.547 6.594 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.644 -10.047 4.853 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.315 -10.096 4.097 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -2.271 -8.652 4.822 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.457 -9.489 2.699 1.00 0.00 C ATOM 0 H ILE A 69 -1.217 -12.604 6.030 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.942 -9.746 6.816 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.331 -10.720 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.447 -9.554 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.024 -11.129 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.381 -8.325 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.251 -8.683 5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.629 -7.953 5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.502 -9.536 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.202 -10.049 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.772 -8.449 2.784 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.947 -10.037 8.132 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.155 -10.139 8.933 1.00 0.00 C ATOM 1024 C ARG A 70 -5.227 -9.187 8.401 1.00 0.00 C ATOM 1025 O ARG A 70 -4.956 -8.010 8.167 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.872 -9.810 10.400 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.197 -10.987 11.107 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.210 -10.795 12.625 1.00 0.00 C ATOM 1029 NE ARG A 70 -2.146 -11.615 13.247 1.00 0.00 N ATOM 1030 CZ ARG A 70 -2.188 -12.951 13.345 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.241 -13.626 12.863 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -1.177 -13.612 13.926 1.00 0.00 N ATOM 0 H ARG A 70 -2.252 -9.382 8.490 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.512 -11.167 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.233 -8.929 10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.805 -9.563 10.907 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.710 -11.913 10.850 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.169 -11.085 10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.059 -9.743 12.868 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.182 -11.079 13.028 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.330 -11.133 13.625 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.011 -13.123 12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.273 -14.643 12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.376 -13.098 14.293 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.209 -14.629 14.001 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.422 -9.731 8.225 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.537 -8.944 7.725 1.00 0.00 C ATOM 1048 C ARG A 71 -8.739 -9.071 8.662 1.00 0.00 C ATOM 1049 O ARG A 71 -9.420 -10.096 8.669 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.943 -9.396 6.321 1.00 0.00 C ATOM 1051 CG ARG A 71 -9.162 -8.614 5.825 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.753 -7.235 5.305 1.00 0.00 C ATOM 1053 NE ARG A 71 -9.515 -6.910 4.078 1.00 0.00 N ATOM 1054 CZ ARG A 71 -9.723 -5.664 3.630 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -9.227 -4.618 4.305 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -10.426 -5.464 2.508 1.00 0.00 N ATOM 0 H ARG A 71 -6.643 -10.708 8.420 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.216 -7.903 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.110 -9.252 5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.169 -10.462 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.659 -9.173 5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.882 -8.502 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.938 -6.480 6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.684 -7.219 5.094 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.906 -7.683 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.691 -4.770 5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.385 -3.670 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.803 -6.260 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.584 -4.516 2.167 1.00 0.00 H new ATOM 1070 N GLN A 72 -8.964 -8.016 9.431 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.073 -7.996 10.370 1.00 0.00 C ATOM 1072 C GLN A 72 -10.977 -6.792 10.099 1.00 0.00 C ATOM 1073 O GLN A 72 -10.731 -5.700 10.608 1.00 0.00 O ATOM 1074 CB GLN A 72 -9.568 -7.989 11.814 1.00 0.00 C ATOM 1075 CG GLN A 72 -10.571 -8.668 12.749 1.00 0.00 C ATOM 1076 CD GLN A 72 -11.427 -7.633 13.481 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -11.135 -7.221 14.592 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -12.497 -7.236 12.798 1.00 0.00 N ATOM 0 H GLN A 72 -8.397 -7.168 9.423 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.659 -8.904 10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.608 -8.503 11.870 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.400 -6.962 12.139 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.213 -9.336 12.175 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.038 -9.283 13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.683 -7.621 11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.132 -6.546 13.200 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.005 -7.032 9.298 1.00 0.00 N ATOM 1088 CA ASN A 73 -12.947 -5.981 8.953 1.00 0.00 C ATOM 1089 C ASN A 73 -14.268 -6.227 9.684 1.00 0.00 C ATOM 1090 O ASN A 73 -14.715 -7.367 9.799 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.232 -5.968 7.450 1.00 0.00 C ATOM 1092 CG ASN A 73 -13.791 -7.315 6.987 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -14.985 -7.566 7.021 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.864 -8.165 6.554 1.00 0.00 N ATOM 0 H ASN A 73 -12.206 -7.939 8.878 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.509 -5.026 9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -13.944 -5.176 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.316 -5.743 6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -13.136 -9.091 6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.882 -7.891 6.552 1.00 0.00 H new ATOM 1146 N LEU A 78 -11.759 -12.908 10.776 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.414 -12.406 10.549 1.00 0.00 C ATOM 1148 C LEU A 78 -9.625 -13.428 9.729 1.00 0.00 C ATOM 1149 O LEU A 78 -9.458 -14.572 10.150 1.00 0.00 O ATOM 1150 CB LEU A 78 -9.749 -12.038 11.877 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.228 -12.194 11.931 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -7.537 -11.134 11.072 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -7.726 -12.176 13.377 1.00 0.00 C ATOM 0 HA LEU A 78 -10.444 -11.485 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.997 -11.002 12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.186 -12.655 12.663 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.970 -13.166 11.512 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.457 -11.268 11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.862 -11.236 10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.799 -10.141 11.438 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.642 -12.289 13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.997 -11.229 13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.181 -12.997 13.930 1.00 0.00 H new ATOM 1165 N MET A 79 -9.159 -12.979 8.573 1.00 0.00 N ATOM 1166 CA MET A 79 -8.391 -13.840 7.689 1.00 0.00 C ATOM 1167 C MET A 79 -6.905 -13.480 7.729 1.00 0.00 C ATOM 1168 O MET A 79 -6.545 -12.306 7.666 1.00 0.00 O ATOM 1169 CB MET A 79 -8.913 -13.699 6.258 1.00 0.00 C ATOM 1170 CG MET A 79 -10.359 -14.187 6.151 1.00 0.00 C ATOM 1171 SD MET A 79 -11.452 -12.804 5.874 1.00 0.00 S ATOM 1172 CE MET A 79 -10.712 -12.113 4.404 1.00 0.00 C ATOM 0 H MET A 79 -9.298 -12.029 8.228 1.00 0.00 H new ATOM 0 HA MET A 79 -8.505 -14.870 8.026 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.853 -12.656 5.947 1.00 0.00 H new ATOM 0 HB3 MET A 79 -8.281 -14.271 5.579 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.450 -14.902 5.334 1.00 0.00 H new ATOM 0 HG3 MET A 79 -10.644 -14.709 7.065 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.496 -11.821 3.705 1.00 0.00 H new ATOM 0 HE2 MET A 79 -10.120 -11.238 4.672 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.068 -12.858 3.936 1.00 0.00 H new ATOM 1182 N THR A 80 -6.081 -14.513 7.833 1.00 0.00 N ATOM 1183 CA THR A 80 -4.642 -14.320 7.882 1.00 0.00 C ATOM 1184 C THR A 80 -3.979 -14.943 6.652 1.00 0.00 C ATOM 1185 O THR A 80 -3.672 -16.134 6.644 1.00 0.00 O ATOM 1186 CB THR A 80 -4.132 -14.896 9.204 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.797 -14.122 10.199 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.648 -14.606 9.436 1.00 0.00 C ATOM 0 H THR A 80 -6.383 -15.486 7.885 1.00 0.00 H new ATOM 0 HA THR A 80 -4.384 -13.262 7.851 1.00 0.00 H new ATOM 0 HB THR A 80 -4.297 -15.973 9.218 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.790 -14.608 11.050 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.338 -15.037 10.388 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.061 -15.046 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.487 -13.528 9.456 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.777 -14.110 5.642 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.156 -14.564 4.409 1.00 0.00 C ATOM 1198 C TYR A 81 -1.653 -14.778 4.599 1.00 0.00 C ATOM 1199 O TYR A 81 -0.870 -13.836 4.490 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.375 -13.445 3.389 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.585 -13.623 2.091 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -2.968 -14.583 1.176 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -1.489 -12.824 1.835 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -2.225 -14.750 -0.046 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -0.746 -12.992 0.613 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.150 -13.947 -0.267 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.448 -14.105 -1.421 1.00 0.00 O ATOM 0 H TYR A 81 -4.032 -13.123 5.652 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.588 -15.512 4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.437 -13.387 3.151 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.098 -12.494 3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.825 -15.209 1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.189 -12.073 2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.515 -15.496 -0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.113 -12.373 0.400 1.00 0.00 H new ATOM 0 HH TYR A 81 0.292 -13.463 -1.444 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.296 -16.023 4.881 1.00 0.00 N ATOM 1218 CA ARG A 82 0.099 -16.372 5.087 1.00 0.00 C ATOM 1219 C ARG A 82 0.808 -16.543 3.742 1.00 0.00 C ATOM 1220 O ARG A 82 0.410 -17.374 2.928 1.00 0.00 O ATOM 1221 CB ARG A 82 0.230 -17.666 5.893 1.00 0.00 C ATOM 1222 CG ARG A 82 1.695 -17.971 6.208 1.00 0.00 C ATOM 1223 CD ARG A 82 1.839 -18.597 7.597 1.00 0.00 C ATOM 1224 NE ARG A 82 3.102 -19.363 7.678 1.00 0.00 N ATOM 1225 CZ ARG A 82 3.350 -20.308 8.596 1.00 0.00 C ATOM 1226 NH1 ARG A 82 2.422 -20.609 9.514 1.00 0.00 N ATOM 1227 NH2 ARG A 82 4.525 -20.952 8.594 1.00 0.00 N ATOM 0 H ARG A 82 -1.949 -16.802 4.971 1.00 0.00 H new ATOM 0 HA ARG A 82 0.564 -15.560 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.335 -17.579 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.205 -18.493 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.099 -18.649 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.280 -17.053 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.827 -17.818 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.992 -19.253 7.799 1.00 0.00 H new ATOM 0 HE ARG A 82 3.830 -19.159 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.527 -20.119 9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.610 -21.328 10.213 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.231 -20.723 7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.714 -21.671 9.292 1.00 0.00 H new ATOM 1241 N PHE A 83 1.847 -15.742 3.551 1.00 0.00 N ATOM 1242 CA PHE A 83 2.615 -15.795 2.318 1.00 0.00 C ATOM 1243 C PHE A 83 3.352 -17.129 2.188 1.00 0.00 C ATOM 1244 O PHE A 83 3.452 -17.884 3.154 1.00 0.00 O ATOM 1245 CB PHE A 83 3.642 -14.662 2.383 1.00 0.00 C ATOM 1246 CG PHE A 83 3.112 -13.313 1.893 1.00 0.00 C ATOM 1247 CD1 PHE A 83 2.973 -13.080 0.561 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.780 -12.347 2.791 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.482 -11.828 0.106 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.289 -11.094 2.336 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.150 -10.861 1.004 1.00 0.00 C ATOM 0 H PHE A 83 2.174 -15.054 4.229 1.00 0.00 H new ATOM 0 HA PHE A 83 1.950 -15.693 1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.984 -14.554 3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.511 -14.938 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.236 -13.848 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.890 -12.532 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.372 -11.643 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.026 -10.326 3.049 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.776 -9.909 0.658 1.00 0.00 H new ATOM 1261 N PRO A 84 3.862 -17.385 0.953 1.00 0.00 N ATOM 1262 CA PRO A 84 4.587 -18.615 0.684 1.00 0.00 C ATOM 1263 C PRO A 84 5.990 -18.569 1.292 1.00 0.00 C ATOM 1264 O PRO A 84 6.620 -17.514 1.329 1.00 0.00 O ATOM 1265 CB PRO A 84 4.600 -18.741 -0.831 1.00 0.00 C ATOM 1266 CG PRO A 84 4.293 -17.352 -1.366 1.00 0.00 C ATOM 1267 CD PRO A 84 3.762 -16.514 -0.214 1.00 0.00 C ATOM 0 HA PRO A 84 4.118 -19.487 1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.569 -19.091 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.857 -19.463 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.191 -16.898 -1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.558 -17.406 -2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.349 -15.605 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.732 -16.205 -0.391 1.00 0.00 H new ATOM 1275 N PRO A 85 6.450 -19.758 1.766 1.00 0.00 N ATOM 1276 CA PRO A 85 7.767 -19.863 2.371 1.00 0.00 C ATOM 1277 C PRO A 85 8.865 -19.824 1.305 1.00 0.00 C ATOM 1278 O PRO A 85 9.957 -20.350 1.514 1.00 0.00 O ATOM 1279 CB PRO A 85 7.740 -21.170 3.147 1.00 0.00 C ATOM 1280 CG PRO A 85 6.582 -21.971 2.575 1.00 0.00 C ATOM 1281 CD PRO A 85 5.732 -21.029 1.739 1.00 0.00 C ATOM 0 HA PRO A 85 7.994 -19.027 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.681 -21.710 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.601 -20.989 4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.952 -22.795 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.989 -22.410 3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.618 -21.398 0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.730 -20.926 2.155 1.00 0.00 H new ATOM 1289 N LYS A 86 8.536 -19.195 0.186 1.00 0.00 N ATOM 1290 CA LYS A 86 9.480 -19.080 -0.912 1.00 0.00 C ATOM 1291 C LYS A 86 9.299 -17.723 -1.595 1.00 0.00 C ATOM 1292 O LYS A 86 9.449 -17.610 -2.810 1.00 0.00 O ATOM 1293 CB LYS A 86 9.342 -20.270 -1.864 1.00 0.00 C ATOM 1294 CG LYS A 86 7.894 -20.435 -2.329 1.00 0.00 C ATOM 1295 CD LYS A 86 7.190 -21.546 -1.546 1.00 0.00 C ATOM 1296 CE LYS A 86 7.770 -22.917 -1.898 1.00 0.00 C ATOM 1297 NZ LYS A 86 8.044 -23.695 -0.669 1.00 0.00 N ATOM 0 H LYS A 86 7.629 -18.760 0.016 1.00 0.00 H new ATOM 0 HA LYS A 86 10.504 -19.116 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.991 -20.126 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.673 -21.180 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.357 -19.496 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.874 -20.667 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.297 -21.366 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.123 -21.531 -1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.071 -23.462 -2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.690 -22.793 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.437 -24.623 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.728 -23.181 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.160 -23.829 -0.138 1.00 0.00 H new ATOM 1311 N PHE A 87 8.978 -16.726 -0.783 1.00 0.00 N ATOM 1312 CA PHE A 87 8.775 -15.381 -1.293 1.00 0.00 C ATOM 1313 C PHE A 87 9.747 -14.395 -0.642 1.00 0.00 C ATOM 1314 O PHE A 87 9.885 -14.368 0.580 1.00 0.00 O ATOM 1315 CB PHE A 87 7.343 -14.978 -0.934 1.00 0.00 C ATOM 1316 CG PHE A 87 6.783 -13.842 -1.793 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.304 -14.104 -3.039 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.763 -12.571 -1.310 1.00 0.00 C ATOM 1319 CE1 PHE A 87 5.784 -13.049 -3.835 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.243 -11.517 -2.106 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.765 -11.778 -3.352 1.00 0.00 C ATOM 0 H PHE A 87 8.854 -16.823 0.225 1.00 0.00 H new ATOM 0 HA PHE A 87 8.946 -15.362 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.695 -15.849 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.313 -14.677 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.319 -15.113 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 87 7.143 -12.363 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.404 -13.256 -4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.227 -10.508 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.370 -10.976 -3.958 1.00 0.00 H new ATOM 1331 N THR A 88 10.397 -13.608 -1.488 1.00 0.00 N ATOM 1332 CA THR A 88 11.352 -12.623 -1.010 1.00 0.00 C ATOM 1333 C THR A 88 11.064 -11.256 -1.633 1.00 0.00 C ATOM 1334 O THR A 88 11.307 -11.046 -2.820 1.00 0.00 O ATOM 1335 CB THR A 88 12.759 -13.144 -1.312 1.00 0.00 C ATOM 1336 OG1 THR A 88 13.218 -13.647 -0.060 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.741 -12.019 -1.644 1.00 0.00 C ATOM 0 H THR A 88 10.281 -13.633 -2.501 1.00 0.00 H new ATOM 0 HA THR A 88 11.267 -12.479 0.067 1.00 0.00 H new ATOM 0 HB THR A 88 12.716 -13.845 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.124 -14.007 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.724 -12.443 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.389 -11.476 -2.521 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.811 -11.336 -0.798 1.00 0.00 H new ATOM 1345 N LEU A 89 10.550 -10.360 -0.803 1.00 0.00 N ATOM 1346 CA LEU A 89 10.227 -9.018 -1.257 1.00 0.00 C ATOM 1347 C LEU A 89 11.494 -8.162 -1.248 1.00 0.00 C ATOM 1348 O LEU A 89 11.856 -7.592 -0.220 1.00 0.00 O ATOM 1349 CB LEU A 89 9.083 -8.432 -0.426 1.00 0.00 C ATOM 1350 CG LEU A 89 8.697 -6.986 -0.742 1.00 0.00 C ATOM 1351 CD1 LEU A 89 8.076 -6.877 -2.136 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.779 -6.414 0.341 1.00 0.00 C ATOM 0 H LEU A 89 10.349 -10.537 0.181 1.00 0.00 H new ATOM 0 HA LEU A 89 9.865 -9.041 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.203 -9.060 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.358 -8.492 0.627 1.00 0.00 H new ATOM 0 HG LEU A 89 9.605 -6.383 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.811 -5.839 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.794 -7.218 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.180 -7.496 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.520 -5.385 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.870 -7.013 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.292 -6.436 1.302 1.00 0.00 H new ATOM 1364 N LYS A 90 12.135 -8.098 -2.406 1.00 0.00 N ATOM 1365 CA LYS A 90 13.355 -7.321 -2.545 1.00 0.00 C ATOM 1366 C LYS A 90 13.147 -5.938 -1.924 1.00 0.00 C ATOM 1367 O LYS A 90 12.037 -5.597 -1.518 1.00 0.00 O ATOM 1368 CB LYS A 90 13.799 -7.277 -4.009 1.00 0.00 C ATOM 1369 CG LYS A 90 14.487 -8.583 -4.412 1.00 0.00 C ATOM 1370 CD LYS A 90 14.546 -8.724 -5.935 1.00 0.00 C ATOM 1371 CE LYS A 90 13.151 -8.950 -6.519 1.00 0.00 C ATOM 1372 NZ LYS A 90 13.232 -9.188 -7.978 1.00 0.00 N ATOM 0 H LYS A 90 11.832 -8.572 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 90 14.173 -7.795 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.935 -7.104 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.481 -6.440 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.496 -8.608 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.948 -9.429 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.985 -7.826 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.195 -9.558 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.680 -9.803 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.522 -8.082 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.276 -9.340 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.662 -8.362 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.815 -10.030 -8.161 1.00 0.00 H new ATOM 1386 N ALA A 91 14.232 -5.180 -1.870 1.00 0.00 N ATOM 1387 CA ALA A 91 14.183 -3.842 -1.305 1.00 0.00 C ATOM 1388 C ALA A 91 13.733 -2.854 -2.383 1.00 0.00 C ATOM 1389 O ALA A 91 14.246 -2.874 -3.501 1.00 0.00 O ATOM 1390 CB ALA A 91 15.550 -3.484 -0.720 1.00 0.00 C ATOM 0 H ALA A 91 15.151 -5.467 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 91 13.459 -3.795 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.513 -2.480 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.810 -4.198 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.303 -3.518 -1.507 1.00 0.00 H new ATOM 1396 N GLY A 92 12.779 -2.014 -2.010 1.00 0.00 N ATOM 1397 CA GLY A 92 12.254 -1.020 -2.931 1.00 0.00 C ATOM 1398 C GLY A 92 11.286 -1.657 -3.930 1.00 0.00 C ATOM 1399 O GLY A 92 10.875 -1.016 -4.897 1.00 0.00 O ATOM 0 H GLY A 92 12.356 -2.001 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.743 -0.236 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.076 -0.546 -3.467 1.00 0.00 H new ATOM 1403 N GLN A 93 10.949 -2.910 -3.663 1.00 0.00 N ATOM 1404 CA GLN A 93 10.036 -3.640 -4.526 1.00 0.00 C ATOM 1405 C GLN A 93 8.606 -3.543 -3.990 1.00 0.00 C ATOM 1406 O GLN A 93 8.378 -2.987 -2.917 1.00 0.00 O ATOM 1407 CB GLN A 93 10.469 -5.100 -4.673 1.00 0.00 C ATOM 1408 CG GLN A 93 11.198 -5.325 -5.999 1.00 0.00 C ATOM 1409 CD GLN A 93 12.279 -4.265 -6.218 1.00 0.00 C ATOM 1410 OE1 GLN A 93 12.220 -3.462 -7.135 1.00 0.00 O ATOM 1411 NE2 GLN A 93 13.265 -4.306 -5.327 1.00 0.00 N ATOM 0 H GLN A 93 11.292 -3.439 -2.861 1.00 0.00 H new ATOM 0 HA GLN A 93 10.063 -3.186 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.121 -5.375 -3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.595 -5.749 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.650 -6.317 -6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.483 -5.295 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.252 -5.005 -4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.034 -3.639 -5.386 1.00 0.00 H new ATOM 1420 N VAL A 94 7.680 -4.093 -4.762 1.00 0.00 N ATOM 1421 CA VAL A 94 6.279 -4.075 -4.378 1.00 0.00 C ATOM 1422 C VAL A 94 5.615 -5.379 -4.828 1.00 0.00 C ATOM 1423 O VAL A 94 6.127 -6.069 -5.708 1.00 0.00 O ATOM 1424 CB VAL A 94 5.596 -2.830 -4.946 1.00 0.00 C ATOM 1425 CG1 VAL A 94 5.561 -2.873 -6.475 1.00 0.00 C ATOM 1426 CG2 VAL A 94 4.189 -2.665 -4.370 1.00 0.00 C ATOM 0 H VAL A 94 7.873 -4.554 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 94 6.181 -4.017 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 94 6.183 -1.961 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.070 -1.976 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.579 -2.920 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.009 -3.754 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.726 -1.772 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.588 -3.539 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.249 -2.566 -3.286 1.00 0.00 H new ATOM 1436 N VAL A 95 4.485 -5.676 -4.203 1.00 0.00 N ATOM 1437 CA VAL A 95 3.746 -6.884 -4.528 1.00 0.00 C ATOM 1438 C VAL A 95 2.250 -6.628 -4.335 1.00 0.00 C ATOM 1439 O VAL A 95 1.855 -5.861 -3.459 1.00 0.00 O ATOM 1440 CB VAL A 95 4.265 -8.056 -3.693 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.206 -7.732 -2.198 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.492 -9.338 -4.007 1.00 0.00 C ATOM 0 H VAL A 95 4.063 -5.101 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 95 3.898 -7.155 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 95 5.309 -8.221 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.580 -8.581 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.821 -6.856 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.175 -7.528 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.881 -10.155 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.436 -9.190 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.608 -9.583 -5.063 1.00 0.00 H new ATOM 1452 N THR A 96 1.457 -7.287 -5.169 1.00 0.00 N ATOM 1453 CA THR A 96 0.013 -7.141 -5.101 1.00 0.00 C ATOM 1454 C THR A 96 -0.648 -8.495 -4.836 1.00 0.00 C ATOM 1455 O THR A 96 -0.330 -9.484 -5.493 1.00 0.00 O ATOM 1456 CB THR A 96 -0.456 -6.479 -6.398 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.450 -5.394 -6.582 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.821 -5.803 -6.249 1.00 0.00 C ATOM 0 H THR A 96 1.788 -7.923 -5.895 1.00 0.00 H new ATOM 0 HA THR A 96 -0.282 -6.503 -4.268 1.00 0.00 H new ATOM 0 HB THR A 96 -0.505 -7.226 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.219 -4.911 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.108 -5.349 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.566 -6.546 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.763 -5.032 -5.480 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.556 -8.495 -3.871 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.265 -9.712 -3.511 1.00 0.00 C ATOM 1468 C ILE A 97 -3.760 -9.523 -3.776 1.00 0.00 C ATOM 1469 O ILE A 97 -4.523 -9.221 -2.859 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.941 -10.114 -2.071 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.430 -10.135 -1.834 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.596 -11.450 -1.714 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.088 -8.743 -1.467 1.00 0.00 C ATOM 0 H ILE A 97 -1.817 -7.672 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.934 -10.544 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.361 -9.361 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.194 -10.837 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.077 -10.491 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.350 -11.713 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.678 -11.364 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.228 -12.226 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.165 -8.787 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.128 -8.049 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.403 -8.400 -0.556 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.134 -9.709 -5.033 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.524 -9.563 -5.430 1.00 0.00 C ATOM 1487 C TRP A 98 -6.325 -10.686 -4.767 1.00 0.00 C ATOM 1488 O TRP A 98 -5.749 -11.643 -4.251 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.661 -9.550 -6.953 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.750 -8.537 -7.651 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.441 -8.650 -7.914 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -5.136 -7.246 -8.167 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -2.957 -7.530 -8.559 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -4.021 -6.649 -8.718 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.387 -6.604 -8.169 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -4.044 -5.381 -9.312 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.393 -5.337 -8.765 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.279 -4.723 -9.324 1.00 0.00 C ATOM 0 H TRP A 98 -3.498 -9.960 -5.790 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.923 -8.606 -5.094 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.440 -10.546 -7.336 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.697 -9.331 -7.213 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.840 -9.509 -7.654 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -1.996 -7.377 -8.863 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.273 -7.053 -7.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.157 -4.935 -9.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.329 -4.799 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.366 -3.741 -9.766 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.640 -10.532 -4.804 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.526 -11.521 -4.214 1.00 0.00 C ATOM 1511 C ALA A 99 -9.293 -12.241 -5.325 1.00 0.00 C ATOM 1512 O ALA A 99 -9.671 -11.626 -6.321 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.458 -10.839 -3.211 1.00 0.00 C ATOM 0 H ALA A 99 -8.114 -9.737 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.953 -12.271 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.122 -11.581 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.866 -10.368 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.051 -10.081 -3.723 1.00 0.00 H new ATOM 1519 N SER A 100 -9.499 -13.533 -5.117 1.00 0.00 N ATOM 1520 CA SER A 100 -10.213 -14.343 -6.089 1.00 0.00 C ATOM 1521 C SER A 100 -11.355 -13.533 -6.707 1.00 0.00 C ATOM 1522 O SER A 100 -11.399 -13.340 -7.921 1.00 0.00 O ATOM 1523 CB SER A 100 -10.755 -15.622 -5.449 1.00 0.00 C ATOM 1524 OG SER A 100 -11.818 -16.191 -6.209 1.00 0.00 O ATOM 0 H SER A 100 -9.184 -14.039 -4.289 1.00 0.00 H new ATOM 0 HA SER A 100 -9.514 -14.631 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.949 -16.349 -5.353 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.107 -15.402 -4.441 1.00 0.00 H new ATOM 0 HG SER A 100 -12.135 -17.007 -5.768 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.252 -13.081 -5.842 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.391 -12.297 -6.287 1.00 0.00 C ATOM 1532 C GLY A 101 -12.954 -11.195 -7.255 1.00 0.00 C ATOM 1533 O GLY A 101 -13.542 -11.034 -8.324 1.00 0.00 O ATOM 0 H GLY A 101 -12.213 -13.243 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.117 -12.948 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.890 -11.853 -5.426 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.926 -10.466 -6.847 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.403 -9.385 -7.665 1.00 0.00 C ATOM 1539 C ALA A 102 -11.358 -9.834 -9.127 1.00 0.00 C ATOM 1540 O ALA A 102 -11.734 -9.080 -10.023 1.00 0.00 O ATOM 1541 CB ALA A 102 -10.029 -8.967 -7.140 1.00 0.00 C ATOM 0 H ALA A 102 -11.441 -10.603 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.052 -8.511 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.636 -8.156 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.121 -8.629 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.349 -9.817 -7.184 1.00 0.00 H new ATOM 1547 N GLY A 103 -10.894 -11.059 -9.322 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.794 -11.617 -10.660 1.00 0.00 C ATOM 1549 C GLY A 103 -9.595 -11.033 -11.410 1.00 0.00 C ATOM 1550 O GLY A 103 -9.574 -11.020 -12.640 1.00 0.00 O ATOM 0 H GLY A 103 -10.583 -11.681 -8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.697 -12.701 -10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.710 -11.410 -11.214 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.626 -10.564 -10.637 1.00 0.00 N ATOM 1555 CA ALA A 104 -7.427 -9.980 -11.213 1.00 0.00 C ATOM 1556 C ALA A 104 -6.713 -11.030 -12.067 1.00 0.00 C ATOM 1557 O ALA A 104 -7.324 -12.009 -12.492 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.536 -9.436 -10.094 1.00 0.00 C ATOM 0 H ALA A 104 -8.647 -10.577 -9.617 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.682 -9.143 -11.863 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.636 -8.998 -10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.079 -8.674 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.258 -10.249 -9.423 1.00 0.00 H new ATOM 1564 N THR A 105 -5.430 -10.790 -12.294 1.00 0.00 N ATOM 1565 CA THR A 105 -4.627 -11.702 -13.090 1.00 0.00 C ATOM 1566 C THR A 105 -3.368 -12.112 -12.323 1.00 0.00 C ATOM 1567 O THR A 105 -2.525 -11.272 -12.012 1.00 0.00 O ATOM 1568 CB THR A 105 -4.329 -11.024 -14.429 1.00 0.00 C ATOM 1569 OG1 THR A 105 -5.309 -11.561 -15.315 1.00 0.00 O ATOM 1570 CG2 THR A 105 -2.997 -11.476 -15.030 1.00 0.00 C ATOM 0 H THR A 105 -4.927 -9.976 -11.940 1.00 0.00 H new ATOM 0 HA THR A 105 -5.164 -12.629 -13.291 1.00 0.00 H new ATOM 0 HB THR A 105 -4.318 -9.942 -14.294 1.00 0.00 H new ATOM 0 HG1 THR A 105 -5.190 -11.174 -16.207 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.834 -10.965 -15.979 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.187 -11.233 -14.343 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.020 -12.553 -15.197 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.280 -13.403 -12.041 1.00 0.00 N ATOM 1579 CA HIS A 106 -2.138 -13.935 -11.317 1.00 0.00 C ATOM 1580 C HIS A 106 -0.853 -13.632 -12.090 1.00 0.00 C ATOM 1581 O HIS A 106 -0.628 -14.182 -13.167 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.321 -15.427 -11.034 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.498 -15.938 -9.875 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.371 -15.247 -8.683 1.00 0.00 N ATOM 1585 CD2 HIS A 106 -0.763 -17.079 -9.739 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.592 -15.949 -7.874 1.00 0.00 C ATOM 1587 NE2 HIS A 106 -0.215 -17.083 -8.530 1.00 0.00 N ATOM 0 H HIS A 106 -3.981 -14.097 -12.301 1.00 0.00 H new ATOM 0 HA HIS A 106 -2.060 -13.447 -10.346 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.374 -15.621 -10.832 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -2.059 -15.991 -11.929 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.647 -17.848 -10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.306 -15.672 -6.870 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.389 -17.814 -8.154 1.00 0.00 H new ATOM 1595 N SER A 107 -0.044 -12.757 -11.511 1.00 0.00 N ATOM 1596 CA SER A 107 1.212 -12.374 -12.132 1.00 0.00 C ATOM 1597 C SER A 107 2.297 -12.215 -11.065 1.00 0.00 C ATOM 1598 O SER A 107 2.760 -11.105 -10.806 1.00 0.00 O ATOM 1599 CB SER A 107 1.059 -11.078 -12.930 1.00 0.00 C ATOM 1600 OG SER A 107 1.228 -11.289 -14.329 1.00 0.00 O ATOM 0 H SER A 107 -0.234 -12.302 -10.618 1.00 0.00 H new ATOM 0 HA SER A 107 1.505 -13.163 -12.824 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.073 -10.652 -12.744 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.791 -10.350 -12.582 1.00 0.00 H new ATOM 0 HG SER A 107 1.121 -10.438 -14.803 1.00 0.00 H new ATOM 1606 N PRO A 108 2.679 -13.370 -10.458 1.00 0.00 N ATOM 1607 CA PRO A 108 3.701 -13.369 -9.424 1.00 0.00 C ATOM 1608 C PRO A 108 5.094 -13.186 -10.030 1.00 0.00 C ATOM 1609 O PRO A 108 5.261 -13.261 -11.246 1.00 0.00 O ATOM 1610 CB PRO A 108 3.535 -14.699 -8.707 1.00 0.00 C ATOM 1611 CG PRO A 108 2.744 -15.587 -9.653 1.00 0.00 C ATOM 1612 CD PRO A 108 2.152 -14.702 -10.738 1.00 0.00 C ATOM 0 HA PRO A 108 3.593 -12.539 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.504 -15.141 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.009 -14.570 -7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.389 -16.348 -10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.954 -16.111 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.445 -15.043 -11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.063 -14.712 -10.706 1.00 0.00 H new ATOM 1620 N PRO A 109 6.084 -12.942 -9.130 1.00 0.00 N ATOM 1621 CA PRO A 109 5.801 -12.868 -7.707 1.00 0.00 C ATOM 1622 C PRO A 109 5.107 -11.551 -7.353 1.00 0.00 C ATOM 1623 O PRO A 109 4.615 -11.384 -6.238 1.00 0.00 O ATOM 1624 CB PRO A 109 7.151 -13.030 -7.028 1.00 0.00 C ATOM 1625 CG PRO A 109 8.192 -12.722 -8.092 1.00 0.00 C ATOM 1626 CD PRO A 109 7.494 -12.730 -9.443 1.00 0.00 C ATOM 0 HA PRO A 109 5.108 -13.642 -7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.246 -12.351 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.275 -14.042 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.653 -11.752 -7.906 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.991 -13.463 -8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.645 -11.789 -9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.881 -13.522 -10.084 1.00 0.00 H new ATOM 1634 N THR A 110 5.091 -10.649 -8.323 1.00 0.00 N ATOM 1635 CA THR A 110 4.466 -9.351 -8.128 1.00 0.00 C ATOM 1636 C THR A 110 2.978 -9.518 -7.816 1.00 0.00 C ATOM 1637 O THR A 110 2.591 -9.615 -6.652 1.00 0.00 O ATOM 1638 CB THR A 110 4.735 -8.505 -9.374 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.314 -9.334 -10.454 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.229 -8.293 -9.627 1.00 0.00 C ATOM 0 H THR A 110 5.501 -10.791 -9.246 1.00 0.00 H new ATOM 0 HA THR A 110 4.890 -8.832 -7.268 1.00 0.00 H new ATOM 0 HB THR A 110 4.244 -7.537 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.016 -10.200 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.364 -7.687 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.674 -7.783 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.715 -9.259 -9.766 1.00 0.00 H new ATOM 1648 N ASP A 111 2.183 -9.546 -8.876 1.00 0.00 N ATOM 1649 CA ASP A 111 0.746 -9.699 -8.729 1.00 0.00 C ATOM 1650 C ASP A 111 0.438 -11.098 -8.192 1.00 0.00 C ATOM 1651 O ASP A 111 1.119 -12.063 -8.536 1.00 0.00 O ATOM 1652 CB ASP A 111 0.035 -9.543 -10.075 1.00 0.00 C ATOM 1653 CG ASP A 111 -0.288 -8.102 -10.473 1.00 0.00 C ATOM 1654 OD1 ASP A 111 -0.645 -7.328 -9.559 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -0.170 -7.807 -11.682 1.00 0.00 O ATOM 0 H ASP A 111 2.507 -9.465 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 111 0.394 -8.929 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.658 -9.987 -10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.894 -10.113 -10.046 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.588 -11.164 -7.356 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.994 -12.429 -6.767 1.00 0.00 C ATOM 1662 C LEU A 112 -2.521 -12.484 -6.691 1.00 0.00 C ATOM 1663 O LEU A 112 -3.178 -11.451 -6.578 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.303 -12.638 -5.418 1.00 0.00 C ATOM 1665 CG LEU A 112 1.207 -12.881 -5.469 1.00 0.00 C ATOM 1666 CD1 LEU A 112 1.861 -12.545 -4.127 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.518 -14.311 -5.916 1.00 0.00 C ATOM 0 H LEU A 112 -1.150 -10.362 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.675 -13.261 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.489 -11.762 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.771 -13.487 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 112 1.636 -12.211 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.934 -12.726 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.683 -11.496 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.432 -13.173 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.598 -14.457 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.074 -15.016 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.104 -14.480 -6.910 1.00 0.00 H new ATOM 1679 N VAL A 113 -3.041 -13.701 -6.756 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.478 -13.905 -6.696 1.00 0.00 C ATOM 1681 C VAL A 113 -4.810 -14.828 -5.522 1.00 0.00 C ATOM 1682 O VAL A 113 -4.355 -15.970 -5.478 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.988 -14.437 -8.037 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.430 -14.935 -7.917 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.864 -13.375 -9.131 1.00 0.00 C ATOM 0 H VAL A 113 -2.492 -14.556 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.990 -12.959 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.364 -15.284 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.768 -15.308 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.478 -15.738 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -7.073 -14.114 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.233 -13.779 -10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.452 -12.499 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.818 -13.089 -9.244 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.598 -14.299 -4.598 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.996 -15.061 -3.427 1.00 0.00 C ATOM 1697 C TRP A 114 -7.146 -15.985 -3.832 1.00 0.00 C ATOM 1698 O TRP A 114 -8.296 -15.555 -3.903 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.355 -14.133 -2.265 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.273 -14.798 -0.889 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -5.864 -16.039 -0.596 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.629 -14.202 0.376 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -5.929 -16.287 0.760 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.409 -15.133 1.370 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -7.120 -12.918 0.671 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.652 -14.880 2.725 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -7.358 -12.681 2.030 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -7.142 -13.608 3.043 1.00 0.00 C ATOM 0 H TRP A 114 -5.972 -13.351 -4.637 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.169 -15.673 -3.066 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.687 -13.272 -2.281 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.366 -13.755 -2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.526 -16.756 -1.329 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.672 -17.156 1.228 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.299 -12.173 -0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.471 -15.626 3.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.736 -11.709 2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.351 -13.348 4.070 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.796 -17.237 -4.087 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.785 -18.225 -4.483 1.00 0.00 C ATOM 1721 C LYS A 115 -8.499 -18.752 -3.237 1.00 0.00 C ATOM 1722 O LYS A 115 -9.721 -18.895 -3.232 1.00 0.00 O ATOM 1723 CB LYS A 115 -7.137 -19.321 -5.331 1.00 0.00 C ATOM 1724 CG LYS A 115 -7.527 -19.178 -6.803 1.00 0.00 C ATOM 1725 CD LYS A 115 -6.849 -20.252 -7.657 1.00 0.00 C ATOM 1726 CE LYS A 115 -7.865 -20.964 -8.552 1.00 0.00 C ATOM 1727 NZ LYS A 115 -8.221 -22.283 -7.983 1.00 0.00 N ATOM 0 H LYS A 115 -5.841 -17.590 -4.027 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.545 -17.771 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.053 -19.269 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.444 -20.300 -4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.609 -19.257 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.244 -18.189 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.074 -19.796 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.357 -20.978 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.761 -20.352 -8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.451 -21.092 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.911 -22.753 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.366 -22.871 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.636 -22.153 -7.038 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.707 -19.027 -2.211 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.249 -19.535 -0.962 1.00 0.00 C ATOM 1743 C ALA A 116 -9.479 -18.713 -0.573 1.00 0.00 C ATOM 1744 O ALA A 116 -10.542 -19.270 -0.303 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.163 -19.505 0.115 1.00 0.00 C ATOM 0 H ALA A 116 -6.694 -18.908 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.568 -20.571 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.569 -19.886 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.324 -20.127 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.821 -18.480 0.258 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.294 -17.401 -0.557 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.376 -16.497 -0.205 1.00 0.00 C ATOM 1753 C GLN A 117 -11.150 -16.082 -1.458 1.00 0.00 C ATOM 1754 O GLN A 117 -10.782 -16.456 -2.571 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.846 -15.273 0.543 1.00 0.00 C ATOM 1756 CG GLN A 117 -10.405 -15.215 1.966 1.00 0.00 C ATOM 1757 CD GLN A 117 -11.917 -14.981 1.952 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -12.706 -15.833 2.325 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -12.275 -13.782 1.502 1.00 0.00 N ATOM 0 H GLN A 117 -8.411 -16.942 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.059 -17.022 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.757 -15.307 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.120 -14.366 0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.182 -16.147 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.915 -14.415 2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.563 -13.115 1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.262 -13.529 1.454 1.00 0.00 H new ATOM 1768 N ASN A 118 -12.206 -15.315 -1.236 1.00 0.00 N ATOM 1769 CA ASN A 118 -13.034 -14.845 -2.333 1.00 0.00 C ATOM 1770 C ASN A 118 -12.950 -13.319 -2.413 1.00 0.00 C ATOM 1771 O ASN A 118 -13.039 -12.745 -3.497 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.501 -15.226 -2.119 1.00 0.00 C ATOM 1773 CG ASN A 118 -15.104 -14.450 -0.947 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -15.859 -13.507 -1.116 1.00 0.00 O ATOM 1775 ND2 ASN A 118 -14.729 -14.899 0.248 1.00 0.00 N ATOM 0 H ASN A 118 -12.508 -15.007 -0.312 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.671 -15.307 -3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -15.070 -15.021 -3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.578 -16.297 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -15.077 -14.448 1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -14.094 -15.694 0.318 1.00 0.00 H new ATOM 1782 N THR A 119 -12.779 -12.706 -1.251 1.00 0.00 N ATOM 1783 CA THR A 119 -12.681 -11.258 -1.176 1.00 0.00 C ATOM 1784 C THR A 119 -12.020 -10.836 0.138 1.00 0.00 C ATOM 1785 O THR A 119 -12.437 -11.265 1.212 1.00 0.00 O ATOM 1786 CB THR A 119 -14.085 -10.679 -1.364 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.864 -9.282 -1.534 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.931 -10.771 -0.092 1.00 0.00 C ATOM 0 H THR A 119 -12.706 -13.186 -0.354 1.00 0.00 H new ATOM 0 HA THR A 119 -12.043 -10.863 -1.966 1.00 0.00 H new ATOM 0 HB THR A 119 -14.590 -11.205 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 119 -14.723 -8.828 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.917 -10.347 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.035 -11.816 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.444 -10.216 0.710 1.00 0.00 H new ATOM 1796 N TRP A 120 -11.001 -9.999 0.008 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.279 -9.514 1.171 1.00 0.00 C ATOM 1798 C TRP A 120 -11.306 -9.097 2.226 1.00 0.00 C ATOM 1799 O TRP A 120 -11.134 -9.379 3.411 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.321 -8.383 0.790 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.951 -8.864 0.309 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.487 -8.910 -0.948 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.879 -9.369 1.133 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.199 -9.405 -0.994 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.818 -9.693 0.312 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.808 -9.546 2.526 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.609 -10.214 0.790 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.593 -10.067 2.988 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.516 -10.399 2.174 1.00 0.00 C ATOM 0 H TRP A 120 -10.659 -9.645 -0.885 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.650 -10.300 1.589 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.779 -7.781 0.005 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.184 -7.731 1.653 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -8.050 -8.599 -1.816 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.632 -9.535 -1.831 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.626 -9.300 3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.793 -10.460 0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.485 -10.222 4.051 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.611 -10.798 2.608 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.351 -8.432 1.757 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.406 -7.973 2.644 1.00 0.00 C ATOM 1822 C GLY A 121 -13.815 -6.536 2.314 1.00 0.00 C ATOM 1823 O GLY A 121 -12.961 -5.669 2.136 1.00 0.00 O ATOM 0 H GLY A 121 -12.490 -8.200 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.271 -8.630 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.066 -8.030 3.678 1.00 0.00 H new ATOM 1827 N CYS A 122 -15.122 -6.329 2.241 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.655 -5.012 1.934 1.00 0.00 C ATOM 1829 C CYS A 122 -16.394 -4.494 3.169 1.00 0.00 C ATOM 1830 O CYS A 122 -16.335 -5.106 4.235 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.557 -5.041 0.699 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.702 -6.465 0.793 1.00 0.00 S ATOM 0 H CYS A 122 -15.827 -7.051 2.389 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.838 -4.333 1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -17.124 -4.112 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.950 -5.111 -0.203 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.465 -6.479 -0.260 1.00 0.00 H new ATOM 1838 N GLY A 123 -17.072 -3.371 2.985 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.822 -2.763 4.072 1.00 0.00 C ATOM 1840 C GLY A 123 -17.431 -1.295 4.254 1.00 0.00 C ATOM 1841 O GLY A 123 -16.938 -0.660 3.322 1.00 0.00 O ATOM 0 H GLY A 123 -17.118 -2.866 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.890 -2.836 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.637 -3.310 4.997 1.00 0.00 H new ATOM 1845 N SER A 124 -17.665 -0.799 5.460 1.00 0.00 N ATOM 1846 CA SER A 124 -17.343 0.582 5.776 1.00 0.00 C ATOM 1847 C SER A 124 -16.137 0.637 6.716 1.00 0.00 C ATOM 1848 O SER A 124 -15.347 1.578 6.664 1.00 0.00 O ATOM 1849 CB SER A 124 -18.540 1.297 6.406 1.00 0.00 C ATOM 1850 OG SER A 124 -19.348 0.409 7.174 1.00 0.00 O ATOM 0 H SER A 124 -18.074 -1.329 6.230 1.00 0.00 H new ATOM 0 HA SER A 124 -17.095 1.096 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.184 2.107 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.145 1.751 5.621 1.00 0.00 H new ATOM 0 HG SER A 124 -20.100 0.903 7.561 1.00 0.00 H new ATOM 1856 N SER A 125 -16.035 -0.384 7.555 1.00 0.00 N ATOM 1857 CA SER A 125 -14.939 -0.464 8.506 1.00 0.00 C ATOM 1858 C SER A 125 -14.026 -1.641 8.154 1.00 0.00 C ATOM 1859 O SER A 125 -14.466 -2.790 8.142 1.00 0.00 O ATOM 1860 CB SER A 125 -15.461 -0.606 9.937 1.00 0.00 C ATOM 1861 OG SER A 125 -15.907 -1.931 10.214 1.00 0.00 O ATOM 0 H SER A 125 -16.693 -1.162 7.596 1.00 0.00 H new ATOM 0 HA SER A 125 -14.367 0.462 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.673 -0.335 10.639 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.282 0.093 10.094 1.00 0.00 H new ATOM 0 HG SER A 125 -15.693 -2.513 9.455 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.773 -1.314 7.877 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.795 -2.330 7.527 1.00 0.00 C ATOM 1869 C LEU A 126 -10.491 -2.058 8.279 1.00 0.00 C ATOM 1870 O LEU A 126 -10.176 -0.909 8.587 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.624 -2.408 6.009 1.00 0.00 C ATOM 1872 CG LEU A 126 -12.900 -2.247 5.181 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.648 -1.376 3.948 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.489 -3.609 4.809 1.00 0.00 C ATOM 0 H LEU A 126 -12.412 -0.360 7.888 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.142 -3.316 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.916 -1.637 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.174 -3.370 5.763 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.641 -1.732 5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.571 -1.278 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.309 -0.389 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.884 -1.840 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.395 -3.465 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.762 -4.172 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.730 -4.162 5.717 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.768 -3.133 8.554 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.505 -3.025 9.265 1.00 0.00 C ATOM 1888 C ARG A 127 -7.560 -4.152 8.844 1.00 0.00 C ATOM 1889 O ARG A 127 -7.773 -5.310 9.200 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.718 -3.085 10.779 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.410 -2.820 11.528 1.00 0.00 C ATOM 1892 CD ARG A 127 -7.377 -3.576 12.858 1.00 0.00 C ATOM 1893 NE ARG A 127 -8.339 -2.974 13.807 1.00 0.00 N ATOM 1894 CZ ARG A 127 -8.630 -3.488 15.010 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -8.034 -4.616 15.418 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -9.516 -2.873 15.805 1.00 0.00 N ATOM 0 H ARG A 127 -10.033 -4.084 8.297 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.063 -2.062 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.466 -2.349 11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -9.108 -4.064 11.056 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.565 -3.125 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.301 -1.751 11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.623 -4.625 12.695 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.372 -3.545 13.278 1.00 0.00 H new ATOM 0 HE ARG A 127 -8.810 -2.114 13.528 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.359 -5.084 14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -8.255 -5.007 16.334 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -9.969 -2.013 15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -9.737 -3.264 16.721 1.00 0.00 H new ATOM 1910 N THR A 128 -6.537 -3.774 8.093 1.00 0.00 N ATOM 1911 CA THR A 128 -5.559 -4.739 7.620 1.00 0.00 C ATOM 1912 C THR A 128 -4.229 -4.554 8.353 1.00 0.00 C ATOM 1913 O THR A 128 -3.820 -3.427 8.629 1.00 0.00 O ATOM 1914 CB THR A 128 -5.441 -4.588 6.102 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.630 -5.192 5.600 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.314 -5.439 5.514 1.00 0.00 C ATOM 0 H THR A 128 -6.364 -2.812 7.800 1.00 0.00 H new ATOM 0 HA THR A 128 -5.875 -5.760 7.837 1.00 0.00 H new ATOM 0 HB THR A 128 -5.271 -3.540 5.854 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.637 -5.137 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.274 -5.294 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.364 -5.139 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.500 -6.491 5.733 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.592 -5.677 8.649 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.317 -5.653 9.345 1.00 0.00 C ATOM 1926 C ALA A 129 -1.372 -6.672 8.705 1.00 0.00 C ATOM 1927 O ALA A 129 -1.808 -7.731 8.255 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.543 -5.922 10.834 1.00 0.00 C ATOM 0 H ALA A 129 -3.935 -6.610 8.419 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.851 -4.672 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.586 -5.904 11.356 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.197 -5.154 11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.007 -6.900 10.961 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.095 -6.317 8.685 1.00 0.00 N ATOM 1935 CA LEU A 130 0.915 -7.188 8.108 1.00 0.00 C ATOM 1936 C LEU A 130 1.701 -7.865 9.233 1.00 0.00 C ATOM 1937 O LEU A 130 2.148 -7.203 10.168 1.00 0.00 O ATOM 1938 CB LEU A 130 1.793 -6.412 7.125 1.00 0.00 C ATOM 1939 CG LEU A 130 2.966 -7.185 6.518 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.494 -8.092 5.380 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.077 -6.233 6.070 1.00 0.00 C ATOM 0 H LEU A 130 0.263 -5.438 9.059 1.00 0.00 H new ATOM 0 HA LEU A 130 0.447 -7.980 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.162 -6.051 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.188 -5.534 7.636 1.00 0.00 H new ATOM 0 HG LEU A 130 3.387 -7.829 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.347 -8.630 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.765 -8.807 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.033 -7.487 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.898 -6.808 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.686 -5.545 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.439 -5.667 6.928 1.00 0.00 H new ATOM 1953 N ILE A 131 1.845 -9.176 9.104 1.00 0.00 N ATOM 1954 CA ILE A 131 2.570 -9.950 10.098 1.00 0.00 C ATOM 1955 C ILE A 131 3.798 -10.588 9.445 1.00 0.00 C ATOM 1956 O ILE A 131 3.761 -10.955 8.272 1.00 0.00 O ATOM 1957 CB ILE A 131 1.639 -10.958 10.774 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.329 -10.294 11.203 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.339 -11.652 11.944 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.586 -9.181 12.221 1.00 0.00 C ATOM 0 H ILE A 131 1.472 -9.722 8.327 1.00 0.00 H new ATOM 0 HA ILE A 131 2.934 -9.302 10.895 1.00 0.00 H new ATOM 0 HB ILE A 131 1.386 -11.729 10.046 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.178 -9.883 10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.337 -11.041 11.636 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.655 -12.363 12.407 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.220 -12.180 11.579 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.641 -10.907 12.680 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.361 -8.726 12.509 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.071 -9.600 13.103 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.232 -8.424 11.777 1.00 0.00 H new ATOM 1972 N ASN A 132 4.856 -10.701 10.234 1.00 0.00 N ATOM 1973 CA ASN A 132 6.093 -11.288 9.748 1.00 0.00 C ATOM 1974 C ASN A 132 6.155 -12.757 10.170 1.00 0.00 C ATOM 1975 O ASN A 132 5.175 -13.304 10.673 1.00 0.00 O ATOM 1976 CB ASN A 132 7.311 -10.574 10.337 1.00 0.00 C ATOM 1977 CG ASN A 132 7.321 -10.678 11.864 1.00 0.00 C ATOM 1978 OD1 ASN A 132 7.795 -11.641 12.444 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.773 -9.634 12.480 1.00 0.00 N ATOM 0 H ASN A 132 4.882 -10.396 11.207 1.00 0.00 H new ATOM 0 HA ASN A 132 6.109 -11.190 8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.224 -11.011 9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.301 -9.525 10.040 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.731 -9.607 13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.394 -8.860 11.934 1.00 0.00 H new ATOM 1986 N SER A 133 7.318 -13.354 9.950 1.00 0.00 N ATOM 1987 CA SER A 133 7.521 -14.749 10.302 1.00 0.00 C ATOM 1988 C SER A 133 6.781 -15.074 11.601 1.00 0.00 C ATOM 1989 O SER A 133 5.910 -15.943 11.623 1.00 0.00 O ATOM 1990 CB SER A 133 9.010 -15.070 10.444 1.00 0.00 C ATOM 1991 OG SER A 133 9.393 -15.234 11.807 1.00 0.00 O ATOM 0 H SER A 133 8.129 -12.897 9.533 1.00 0.00 H new ATOM 0 HA SER A 133 7.119 -15.367 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.239 -15.981 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.598 -14.269 9.996 1.00 0.00 H new ATOM 0 HG SER A 133 10.186 -14.688 11.992 1.00 0.00 H new ATOM 1997 N THR A 134 7.155 -14.360 12.652 1.00 0.00 N ATOM 1998 CA THR A 134 6.538 -14.562 13.952 1.00 0.00 C ATOM 1999 C THR A 134 5.184 -13.853 14.016 1.00 0.00 C ATOM 2000 O THR A 134 4.915 -12.948 13.227 1.00 0.00 O ATOM 2001 CB THR A 134 7.523 -14.086 15.022 1.00 0.00 C ATOM 2002 OG1 THR A 134 7.623 -12.682 14.803 1.00 0.00 O ATOM 2003 CG2 THR A 134 8.943 -14.603 14.782 1.00 0.00 C ATOM 0 H THR A 134 7.878 -13.641 12.630 1.00 0.00 H new ATOM 0 HA THR A 134 6.327 -15.617 14.129 1.00 0.00 H new ATOM 0 HB THR A 134 7.179 -14.413 16.003 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.331 -12.471 13.891 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.602 -14.236 15.569 1.00 0.00 H new ATOM 0 HG22 THR A 134 8.940 -15.693 14.790 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.301 -14.249 13.815 1.00 0.00 H new ATOM 2011 N GLY A 135 4.366 -14.291 14.962 1.00 0.00 N ATOM 2012 CA GLY A 135 3.046 -13.710 15.138 1.00 0.00 C ATOM 2013 C GLY A 135 3.145 -12.270 15.648 1.00 0.00 C ATOM 2014 O GLY A 135 2.653 -11.957 16.731 1.00 0.00 O ATOM 0 H GLY A 135 4.592 -15.042 15.615 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.507 -13.728 14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.471 -14.311 15.843 1.00 0.00 H new ATOM 2018 N GLU A 136 3.784 -11.434 14.844 1.00 0.00 N ATOM 2019 CA GLU A 136 3.953 -10.035 15.200 1.00 0.00 C ATOM 2020 C GLU A 136 3.691 -9.143 13.985 1.00 0.00 C ATOM 2021 O GLU A 136 4.113 -9.460 12.874 1.00 0.00 O ATOM 2022 CB GLU A 136 5.347 -9.781 15.776 1.00 0.00 C ATOM 2023 CG GLU A 136 5.720 -8.300 15.678 1.00 0.00 C ATOM 2024 CD GLU A 136 7.004 -8.005 16.455 1.00 0.00 C ATOM 2025 OE1 GLU A 136 7.193 -8.654 17.506 1.00 0.00 O ATOM 2026 OE2 GLU A 136 7.768 -7.138 15.979 1.00 0.00 O ATOM 0 H GLU A 136 4.191 -11.698 13.947 1.00 0.00 H new ATOM 0 HA GLU A 136 3.226 -9.786 15.973 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.377 -10.099 16.818 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.081 -10.381 15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.852 -8.023 14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.906 -7.690 16.069 1.00 0.00 H new ATOM 2033 N GLU A 137 2.995 -8.044 14.237 1.00 0.00 N ATOM 2034 CA GLU A 137 2.671 -7.103 13.178 1.00 0.00 C ATOM 2035 C GLU A 137 3.832 -6.129 12.960 1.00 0.00 C ATOM 2036 O GLU A 137 4.490 -5.720 13.915 1.00 0.00 O ATOM 2037 CB GLU A 137 1.376 -6.351 13.489 1.00 0.00 C ATOM 2038 CG GLU A 137 1.145 -5.218 12.487 1.00 0.00 C ATOM 2039 CD GLU A 137 1.456 -3.858 13.117 1.00 0.00 C ATOM 2040 OE1 GLU A 137 1.162 -3.710 14.322 1.00 0.00 O ATOM 2041 OE2 GLU A 137 1.982 -2.998 12.378 1.00 0.00 O ATOM 0 H GLU A 137 2.646 -7.784 15.160 1.00 0.00 H new ATOM 0 HA GLU A 137 2.514 -7.664 12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.534 -7.043 13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.421 -5.944 14.499 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.774 -5.369 11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.111 -5.236 12.144 1.00 0.00 H new ATOM 2048 N VAL A 138 4.046 -5.787 11.699 1.00 0.00 N ATOM 2049 CA VAL A 138 5.115 -4.869 11.343 1.00 0.00 C ATOM 2050 C VAL A 138 4.509 -3.567 10.816 1.00 0.00 C ATOM 2051 O VAL A 138 5.036 -2.485 11.070 1.00 0.00 O ATOM 2052 CB VAL A 138 6.066 -5.534 10.346 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.021 -6.496 11.056 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.287 -6.251 9.241 1.00 0.00 C ATOM 0 H VAL A 138 3.497 -6.129 10.910 1.00 0.00 H new ATOM 0 HA VAL A 138 5.711 -4.618 12.220 1.00 0.00 H new ATOM 0 HB VAL A 138 6.665 -4.751 9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.686 -6.955 10.324 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.612 -5.947 11.789 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.446 -7.272 11.561 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.986 -6.715 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.651 -7.018 9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.668 -5.531 8.706 1.00 0.00 H new ATOM 2064 N ALA A 139 3.411 -3.715 10.089 1.00 0.00 N ATOM 2065 CA ALA A 139 2.728 -2.564 9.523 1.00 0.00 C ATOM 2066 C ALA A 139 1.215 -2.775 9.621 1.00 0.00 C ATOM 2067 O ALA A 139 0.752 -3.901 9.797 1.00 0.00 O ATOM 2068 CB ALA A 139 3.195 -2.351 8.082 1.00 0.00 C ATOM 0 H ALA A 139 2.978 -4.614 9.879 1.00 0.00 H new ATOM 0 HA ALA A 139 2.972 -1.660 10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.683 -1.488 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.271 -2.177 8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 139 2.965 -3.237 7.490 1.00 0.00 H new ATOM 2074 N MET A 140 0.488 -1.674 9.503 1.00 0.00 N ATOM 2075 CA MET A 140 -0.963 -1.724 9.576 1.00 0.00 C ATOM 2076 C MET A 140 -1.595 -0.722 8.608 1.00 0.00 C ATOM 2077 O MET A 140 -0.957 0.252 8.213 1.00 0.00 O ATOM 2078 CB MET A 140 -1.413 -1.410 11.004 1.00 0.00 C ATOM 2079 CG MET A 140 -1.346 0.094 11.282 1.00 0.00 C ATOM 2080 SD MET A 140 -1.865 0.429 12.956 1.00 0.00 S ATOM 2081 CE MET A 140 -3.616 0.661 12.697 1.00 0.00 C ATOM 0 H MET A 140 0.876 -0.742 9.357 1.00 0.00 H new ATOM 0 HA MET A 140 -1.289 -2.726 9.296 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.432 -1.766 11.155 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.781 -1.943 11.714 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.329 0.456 11.129 1.00 0.00 H new ATOM 0 HG3 MET A 140 -1.984 0.631 10.580 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.099 0.881 13.649 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.775 1.492 12.009 1.00 0.00 H new ATOM 0 HE3 MET A 140 -4.045 -0.247 12.274 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.842 -0.996 8.255 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.569 -0.131 7.341 1.00 0.00 C ATOM 2093 C ARG A 141 -5.059 -0.127 7.685 1.00 0.00 C ATOM 2094 O ARG A 141 -5.829 -0.914 7.137 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.388 -0.586 5.891 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.846 0.499 4.915 1.00 0.00 C ATOM 2097 CD ARG A 141 -3.171 0.331 3.552 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.077 1.316 3.404 1.00 0.00 N ATOM 2099 CZ ARG A 141 -2.268 2.628 3.211 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -3.512 3.120 3.142 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -1.215 3.447 3.087 1.00 0.00 N ATOM 0 H ARG A 141 -3.368 -1.805 8.585 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.166 0.876 7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.340 -0.825 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.958 -1.499 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.929 0.453 4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -3.611 1.482 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.776 -0.680 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -3.903 0.466 2.756 1.00 0.00 H new ATOM 0 HE ARG A 141 -1.117 0.975 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -4.313 2.496 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.658 4.119 2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.268 3.072 3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.360 4.446 2.940 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.422 0.768 8.593 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.807 0.885 9.017 1.00 0.00 C ATOM 2117 C LYS A 142 -7.559 1.795 8.043 1.00 0.00 C ATOM 2118 O LYS A 142 -7.140 2.924 7.794 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.884 1.347 10.473 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.273 1.085 11.059 1.00 0.00 C ATOM 2121 CD LYS A 142 -8.297 1.372 12.562 1.00 0.00 C ATOM 2122 CE LYS A 142 -9.729 1.593 13.054 1.00 0.00 C ATOM 2123 NZ LYS A 142 -9.735 2.452 14.260 1.00 0.00 N ATOM 0 H LYS A 142 -4.781 1.419 9.047 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.297 -0.088 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.132 0.825 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.655 2.411 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.009 1.711 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.558 0.049 10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.847 0.539 13.102 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -7.694 2.254 12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.323 2.057 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.194 0.634 13.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -10.714 2.592 14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -9.185 1.994 15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -9.310 3.373 14.032 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.655 1.268 7.518 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.469 2.018 6.577 1.00 0.00 C ATOM 2139 C LEU A 143 -10.900 2.113 7.110 1.00 0.00 C ATOM 2140 O LEU A 143 -11.581 1.099 7.255 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.374 1.405 5.179 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.472 2.140 4.185 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -9.155 3.401 3.652 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -7.107 2.447 4.805 1.00 0.00 C ATOM 0 H LEU A 143 -8.998 0.330 7.726 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.096 3.037 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.015 0.381 5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.378 1.352 4.758 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.298 1.483 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -8.492 3.904 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -10.081 3.127 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -9.379 4.072 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -6.486 2.969 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -7.240 3.075 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -6.621 1.515 5.094 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.314 3.341 7.388 1.00 0.00 N ATOM 2157 CA VAL A 144 -12.652 3.582 7.901 1.00 0.00 C ATOM 2158 C VAL A 144 -13.398 4.520 6.950 1.00 0.00 C ATOM 2159 O VAL A 144 -12.861 5.547 6.538 1.00 0.00 O ATOM 2160 CB VAL A 144 -12.574 4.119 9.332 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -13.912 3.951 10.054 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -11.442 3.445 10.110 1.00 0.00 C ATOM 0 H VAL A 144 -10.746 4.180 7.268 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.217 2.651 7.947 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.354 5.185 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -13.829 4.340 11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -14.686 4.499 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -14.175 2.894 10.091 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -11.409 3.845 11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -11.618 2.370 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -10.492 3.639 9.612 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.624 4.133 6.630 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.449 4.927 5.735 1.00 0.00 C ATOM 2174 C ARG A 145 -16.215 5.991 6.523 1.00 0.00 C ATOM 2175 O ARG A 145 -16.562 5.778 7.684 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.445 4.046 4.978 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.430 4.898 4.176 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.399 4.017 3.384 1.00 0.00 C ATOM 2179 NE ARG A 145 -19.367 4.862 2.649 1.00 0.00 N ATOM 2180 CZ ARG A 145 -20.239 4.394 1.747 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -20.272 3.084 1.463 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -21.080 5.234 1.129 1.00 0.00 N ATOM 0 H ARG A 145 -15.066 3.281 6.974 1.00 0.00 H new ATOM 0 HA ARG A 145 -14.788 5.410 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -15.907 3.377 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -16.991 3.419 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -17.990 5.545 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.882 5.548 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -17.845 3.391 2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -18.929 3.346 4.060 1.00 0.00 H new ATOM 0 HE ARG A 145 -19.370 5.864 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -19.633 2.444 1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -20.936 2.728 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -21.056 6.230 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -21.744 4.877 0.442 1.00 0.00 H new