USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 752 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 100 MET CE :methyl -103:sc= -0.216 (180deg=-1.23) USER MOD Set 1.2: A 104 GLN : amide:sc= -0.63 X(o=-0.85,f=-1) USER MOD Set 2.1: A 48 TYR OH : rot -1:sc= 0.718 USER MOD Set 2.2: A 87 THR OG1 : rot -41:sc= 0.181 USER MOD Set 3.1: A 41 SER OG : rot 35:sc= 1.19 USER MOD Set 3.2: A 83 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0774) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00508 USER MOD Single : A 40 MET CE :methyl 180:sc= -0.528 (180deg=-0.528) USER MOD Single : A 47 THR OG1 : rot -79:sc= -2.51! USER MOD Single : A 49 ASN : amide:sc= -3.55! C(o=-3.6!,f=-5.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -178:sc= -8.86! (180deg=-8.97!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -168:sc=-0.00923 (180deg=-0.168) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.85) USER MOD Single : A 73 HIS :FLIP no HE2:sc= -0.416 F(o=-1,f=-0.42) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.71) USER MOD Single : A 78 MET CE :methyl -148:sc= -13.5! (180deg=-13.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -178:sc= -9.5! (180deg=-9.67!) USER MOD Single : A 86 LYS NZ :NH3+ -104:sc= -1.14 (180deg=-3.49!) USER MOD Single : A 89 SER OG : rot -84:sc= 0.111 USER MOD Single : A 93 SER OG : rot 180:sc= -0.643 USER MOD Single : A 94 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.53) USER MOD Single : A 95 GLN : amide:sc= -2.71! C(o=-2.7!,f=-9.2!) USER MOD Single : A 96 CYS SG : rot 120:sc= -2.37! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.951 -4.425 -6.762 1.00 0.00 N ATOM 356 CA GLU A 19 128.975 -5.520 -6.488 1.00 0.00 C ATOM 357 C GLU A 19 128.065 -5.136 -5.318 1.00 0.00 C ATOM 358 O GLU A 19 126.956 -5.617 -5.199 1.00 0.00 O ATOM 359 CB GLU A 19 129.832 -6.733 -6.127 1.00 0.00 C ATOM 360 CG GLU A 19 130.293 -7.431 -7.408 1.00 0.00 C ATOM 361 CD GLU A 19 130.239 -8.948 -7.213 1.00 0.00 C ATOM 362 OE1 GLU A 19 129.482 -9.390 -6.363 1.00 0.00 O ATOM 363 OE2 GLU A 19 130.955 -9.642 -7.917 1.00 0.00 O ATOM 0 HA GLU A 19 128.327 -5.720 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 19 130.695 -6.420 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 19 129.260 -7.425 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.656 -7.139 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 19 131.308 -7.122 -7.658 1.00 0.00 H new ATOM 370 N ALA A 20 128.525 -4.273 -4.453 1.00 0.00 N ATOM 371 CA ALA A 20 127.681 -3.860 -3.294 1.00 0.00 C ATOM 372 C ALA A 20 126.444 -3.107 -3.785 1.00 0.00 C ATOM 373 O ALA A 20 125.326 -3.440 -3.444 1.00 0.00 O ATOM 374 CB ALA A 20 128.573 -2.942 -2.459 1.00 0.00 C ATOM 0 H ALA A 20 129.446 -3.837 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 20 127.325 -4.714 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 20 128.022 -2.595 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.458 -3.490 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.877 -2.085 -3.060 1.00 0.00 H new ATOM 380 N GLU A 21 126.634 -2.092 -4.584 1.00 0.00 N ATOM 381 CA GLU A 21 125.466 -1.321 -5.097 1.00 0.00 C ATOM 382 C GLU A 21 124.422 -2.276 -5.680 1.00 0.00 C ATOM 383 O GLU A 21 123.233 -2.043 -5.592 1.00 0.00 O ATOM 384 CB GLU A 21 126.036 -0.416 -6.188 1.00 0.00 C ATOM 385 CG GLU A 21 126.399 -1.259 -7.412 1.00 0.00 C ATOM 386 CD GLU A 21 127.153 -0.393 -8.423 1.00 0.00 C ATOM 387 OE1 GLU A 21 126.508 0.394 -9.097 1.00 0.00 O ATOM 388 OE2 GLU A 21 128.362 -0.531 -8.506 1.00 0.00 O ATOM 0 H GLU A 21 127.546 -1.764 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 21 124.971 -0.748 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.306 0.346 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.918 0.106 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.015 -2.107 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.496 -1.666 -7.867 1.00 0.00 H new ATOM 395 N ILE A 22 124.859 -3.354 -6.273 1.00 0.00 N ATOM 396 CA ILE A 22 123.893 -4.327 -6.859 1.00 0.00 C ATOM 397 C ILE A 22 123.068 -4.978 -5.746 1.00 0.00 C ATOM 398 O ILE A 22 121.881 -5.199 -5.888 1.00 0.00 O ATOM 399 CB ILE A 22 124.757 -5.369 -7.567 1.00 0.00 C ATOM 400 CG1 ILE A 22 125.709 -4.668 -8.540 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.858 -6.334 -8.342 1.00 0.00 C ATOM 402 CD1 ILE A 22 126.394 -5.711 -9.426 1.00 0.00 C ATOM 0 H ILE A 22 125.843 -3.603 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 22 123.190 -3.853 -7.544 1.00 0.00 H new ATOM 0 HB ILE A 22 125.336 -5.923 -6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.158 -3.958 -9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 22 126.456 -4.098 -7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 22 124.473 -7.078 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 22 123.179 -6.834 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 22 123.280 -5.779 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 22 127.072 -5.212 -10.119 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.959 -6.404 -8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 22 125.640 -6.261 -9.989 1.00 0.00 H new ATOM 414 N LYS A 23 123.687 -5.285 -4.639 1.00 0.00 N ATOM 415 CA LYS A 23 122.937 -5.918 -3.517 1.00 0.00 C ATOM 416 C LYS A 23 121.924 -4.926 -2.938 1.00 0.00 C ATOM 417 O LYS A 23 120.814 -5.285 -2.599 1.00 0.00 O ATOM 418 CB LYS A 23 124.000 -6.269 -2.476 1.00 0.00 C ATOM 419 CG LYS A 23 124.983 -7.279 -3.070 1.00 0.00 C ATOM 420 CD LYS A 23 124.841 -8.618 -2.346 1.00 0.00 C ATOM 421 CE LYS A 23 126.205 -9.055 -1.808 1.00 0.00 C ATOM 422 NZ LYS A 23 126.970 -9.489 -3.010 1.00 0.00 N ATOM 0 H LYS A 23 124.679 -5.125 -4.463 1.00 0.00 H new ATOM 0 HA LYS A 23 122.377 -6.797 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.531 -5.369 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.529 -6.685 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.789 -7.407 -4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 23 126.004 -6.908 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 23 124.128 -8.527 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 23 124.449 -9.372 -3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 23 126.708 -8.236 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 23 126.104 -9.868 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 127.481 -10.369 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 126.313 -9.653 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 127.651 -8.749 -3.274 1.00 0.00 H new ATOM 436 N VAL A 24 122.298 -3.682 -2.827 1.00 0.00 N ATOM 437 CA VAL A 24 121.355 -2.667 -2.274 1.00 0.00 C ATOM 438 C VAL A 24 120.075 -2.627 -3.112 1.00 0.00 C ATOM 439 O VAL A 24 118.985 -2.487 -2.592 1.00 0.00 O ATOM 440 CB VAL A 24 122.103 -1.337 -2.372 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.140 -0.187 -2.076 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.247 -1.318 -1.354 1.00 0.00 C ATOM 0 H VAL A 24 123.215 -3.323 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 24 121.058 -2.892 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 24 122.508 -1.222 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.673 0.761 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.325 -0.199 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.734 -0.302 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.780 -0.370 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.842 -1.433 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.935 -2.137 -1.564 1.00 0.00 H new ATOM 452 N ARG A 25 120.198 -2.752 -4.407 1.00 0.00 N ATOM 453 CA ARG A 25 118.987 -2.723 -5.277 1.00 0.00 C ATOM 454 C ARG A 25 118.076 -3.908 -4.952 1.00 0.00 C ATOM 455 O ARG A 25 116.893 -3.754 -4.728 1.00 0.00 O ATOM 456 CB ARG A 25 119.521 -2.832 -6.706 1.00 0.00 C ATOM 457 CG ARG A 25 119.316 -1.501 -7.433 1.00 0.00 C ATOM 458 CD ARG A 25 118.097 -1.602 -8.352 1.00 0.00 C ATOM 459 NE ARG A 25 118.557 -2.415 -9.513 1.00 0.00 N ATOM 460 CZ ARG A 25 118.443 -1.946 -10.725 1.00 0.00 C ATOM 461 NH1 ARG A 25 117.359 -1.313 -11.080 1.00 0.00 N ATOM 462 NH2 ARG A 25 119.413 -2.110 -11.582 1.00 0.00 N ATOM 0 H ARG A 25 121.083 -2.873 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 25 118.396 -1.819 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.580 -3.090 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.005 -3.632 -7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 25 119.174 -0.698 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 25 120.203 -1.252 -8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 25 117.258 -2.078 -7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 25 117.759 -0.616 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 25 118.961 -3.339 -9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 25 116.601 -1.185 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 25 117.270 -0.946 -12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 25 120.261 -2.605 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 25 119.324 -1.743 -12.530 1.00 0.00 H new ATOM 476 N GLU A 26 118.624 -5.088 -4.924 1.00 0.00 N ATOM 477 CA GLU A 26 117.796 -6.288 -4.611 1.00 0.00 C ATOM 478 C GLU A 26 117.357 -6.252 -3.145 1.00 0.00 C ATOM 479 O GLU A 26 116.441 -6.941 -2.743 1.00 0.00 O ATOM 480 CB GLU A 26 118.716 -7.482 -4.867 1.00 0.00 C ATOM 481 CG GLU A 26 118.077 -8.751 -4.297 1.00 0.00 C ATOM 482 CD GLU A 26 119.107 -9.882 -4.291 1.00 0.00 C ATOM 483 OE1 GLU A 26 120.199 -9.666 -4.789 1.00 0.00 O ATOM 484 OE2 GLU A 26 118.785 -10.946 -3.789 1.00 0.00 O ATOM 0 H GLU A 26 119.610 -5.276 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 26 116.890 -6.337 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.889 -7.598 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 26 119.688 -7.312 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 26 117.717 -8.567 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 26 117.212 -9.036 -4.896 1.00 0.00 H new ATOM 491 N ALA A 27 118.005 -5.450 -2.345 1.00 0.00 N ATOM 492 CA ALA A 27 117.627 -5.365 -0.906 1.00 0.00 C ATOM 493 C ALA A 27 116.397 -4.470 -0.736 1.00 0.00 C ATOM 494 O ALA A 27 115.572 -4.689 0.130 1.00 0.00 O ATOM 495 CB ALA A 27 118.841 -4.745 -0.213 1.00 0.00 C ATOM 0 H ALA A 27 118.780 -4.850 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 27 117.372 -6.339 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.641 -4.649 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.711 -5.384 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.037 -3.760 -0.636 1.00 0.00 H new ATOM 501 N THR A 28 116.265 -3.464 -1.557 1.00 0.00 N ATOM 502 CA THR A 28 115.088 -2.558 -1.443 1.00 0.00 C ATOM 503 C THR A 28 113.968 -3.030 -2.375 1.00 0.00 C ATOM 504 O THR A 28 113.234 -2.236 -2.929 1.00 0.00 O ATOM 505 CB THR A 28 115.601 -1.183 -1.874 1.00 0.00 C ATOM 506 OG1 THR A 28 116.064 -1.253 -3.216 1.00 0.00 O ATOM 507 CG2 THR A 28 116.749 -0.756 -0.957 1.00 0.00 C ATOM 0 H THR A 28 116.922 -3.231 -2.302 1.00 0.00 H new ATOM 0 HA THR A 28 114.676 -2.540 -0.434 1.00 0.00 H new ATOM 0 HB THR A 28 114.794 -0.454 -1.805 1.00 0.00 H new ATOM 0 HG1 THR A 28 116.392 -0.373 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.115 0.224 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.393 -0.704 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.558 -1.483 -1.025 1.00 0.00 H new ATOM 644 N LEU A 39 120.751 -10.987 2.468 1.00 0.00 N ATOM 645 CA LEU A 39 121.364 -9.944 1.596 1.00 0.00 C ATOM 646 C LEU A 39 121.662 -8.682 2.410 1.00 0.00 C ATOM 647 O LEU A 39 122.509 -7.887 2.054 1.00 0.00 O ATOM 648 CB LEU A 39 120.313 -9.655 0.524 1.00 0.00 C ATOM 649 CG LEU A 39 120.812 -8.536 -0.390 1.00 0.00 C ATOM 650 CD1 LEU A 39 121.201 -9.120 -1.749 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.699 -7.501 -0.581 1.00 0.00 C ATOM 0 HA LEU A 39 122.309 -10.272 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 39 120.116 -10.555 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.372 -9.365 0.991 1.00 0.00 H new ATOM 0 HG LEU A 39 121.682 -8.059 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 39 121.557 -8.321 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.992 -9.858 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 39 120.332 -9.597 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 120.053 -6.702 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.830 -7.980 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.420 -7.083 0.387 1.00 0.00 H new ATOM 663 N MET A 40 120.972 -8.491 3.503 1.00 0.00 N ATOM 664 CA MET A 40 121.217 -7.281 4.338 1.00 0.00 C ATOM 665 C MET A 40 122.607 -7.350 4.975 1.00 0.00 C ATOM 666 O MET A 40 123.459 -6.521 4.724 1.00 0.00 O ATOM 667 CB MET A 40 120.131 -7.314 5.414 1.00 0.00 C ATOM 668 CG MET A 40 118.800 -6.860 4.811 1.00 0.00 C ATOM 669 SD MET A 40 117.441 -7.384 5.886 1.00 0.00 S ATOM 670 CE MET A 40 116.737 -5.744 6.175 1.00 0.00 C ATOM 0 H MET A 40 120.250 -9.121 3.853 1.00 0.00 H new ATOM 0 HA MET A 40 121.182 -6.362 3.753 1.00 0.00 H new ATOM 0 HB2 MET A 40 120.034 -8.322 5.817 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.407 -6.664 6.244 1.00 0.00 H new ATOM 0 HG2 MET A 40 118.791 -5.776 4.697 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.675 -7.286 3.815 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.868 -5.831 6.827 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.483 -5.106 6.648 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.434 -5.305 5.224 1.00 0.00 H new ATOM 680 N SER A 41 122.842 -8.335 5.799 1.00 0.00 N ATOM 681 CA SER A 41 124.177 -8.458 6.452 1.00 0.00 C ATOM 682 C SER A 41 125.287 -8.420 5.400 1.00 0.00 C ATOM 683 O SER A 41 126.417 -8.073 5.685 1.00 0.00 O ATOM 684 CB SER A 41 124.150 -9.815 7.154 1.00 0.00 C ATOM 685 OG SER A 41 124.633 -9.667 8.482 1.00 0.00 O ATOM 0 H SER A 41 122.168 -9.059 6.048 1.00 0.00 H new ATOM 0 HA SER A 41 124.373 -7.642 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.134 -10.211 7.166 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.765 -10.531 6.609 1.00 0.00 H new ATOM 0 HG SER A 41 124.355 -8.796 8.836 1.00 0.00 H new ATOM 691 N GLU A 42 124.976 -8.775 4.182 1.00 0.00 N ATOM 692 CA GLU A 42 126.014 -8.759 3.112 1.00 0.00 C ATOM 693 C GLU A 42 126.308 -7.319 2.683 1.00 0.00 C ATOM 694 O GLU A 42 127.440 -6.878 2.689 1.00 0.00 O ATOM 695 CB GLU A 42 125.403 -9.551 1.955 1.00 0.00 C ATOM 696 CG GLU A 42 126.240 -10.806 1.698 1.00 0.00 C ATOM 697 CD GLU A 42 127.610 -10.403 1.148 1.00 0.00 C ATOM 698 OE1 GLU A 42 127.842 -9.215 1.004 1.00 0.00 O ATOM 699 OE2 GLU A 42 128.403 -11.290 0.879 1.00 0.00 O ATOM 0 H GLU A 42 124.048 -9.075 3.882 1.00 0.00 H new ATOM 0 HA GLU A 42 126.958 -9.189 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.376 -9.828 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.367 -8.934 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.359 -11.372 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 42 125.729 -11.458 0.989 1.00 0.00 H new ATOM 706 N ILE A 43 125.297 -6.580 2.312 1.00 0.00 N ATOM 707 CA ILE A 43 125.524 -5.169 1.884 1.00 0.00 C ATOM 708 C ILE A 43 126.313 -4.417 2.960 1.00 0.00 C ATOM 709 O ILE A 43 127.104 -3.542 2.666 1.00 0.00 O ATOM 710 CB ILE A 43 124.126 -4.574 1.722 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.401 -5.291 0.580 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.239 -3.085 1.395 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.971 -4.760 0.469 1.00 0.00 C ATOM 0 H ILE A 43 124.326 -6.891 2.287 1.00 0.00 H new ATOM 0 HA ILE A 43 126.100 -5.101 0.961 1.00 0.00 H new ATOM 0 HB ILE A 43 123.567 -4.700 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.933 -5.133 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.388 -6.366 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.241 -2.661 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.759 -2.573 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.797 -2.958 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.455 -5.271 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.442 -4.941 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.995 -3.689 0.267 1.00 0.00 H new ATOM 725 N ALA A 44 126.111 -4.755 4.204 1.00 0.00 N ATOM 726 CA ALA A 44 126.860 -4.063 5.292 1.00 0.00 C ATOM 727 C ALA A 44 128.334 -4.475 5.244 1.00 0.00 C ATOM 728 O ALA A 44 129.224 -3.648 5.192 1.00 0.00 O ATOM 729 CB ALA A 44 126.204 -4.539 6.589 1.00 0.00 C ATOM 0 H ALA A 44 125.462 -5.478 4.514 1.00 0.00 H new ATOM 0 HA ALA A 44 126.827 -2.977 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.700 -4.073 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.150 -4.261 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.293 -5.623 6.666 1.00 0.00 H new ATOM 735 N ASP A 45 128.602 -5.752 5.247 1.00 0.00 N ATOM 736 CA ASP A 45 130.017 -6.209 5.185 1.00 0.00 C ATOM 737 C ASP A 45 130.722 -5.526 4.012 1.00 0.00 C ATOM 738 O ASP A 45 131.932 -5.421 3.975 1.00 0.00 O ATOM 739 CB ASP A 45 129.942 -7.719 4.966 1.00 0.00 C ATOM 740 CG ASP A 45 130.530 -8.443 6.179 1.00 0.00 C ATOM 741 OD1 ASP A 45 131.701 -8.238 6.454 1.00 0.00 O ATOM 742 OD2 ASP A 45 129.801 -9.187 6.811 1.00 0.00 O ATOM 0 H ASP A 45 127.905 -6.495 5.290 1.00 0.00 H new ATOM 0 HA ASP A 45 130.577 -5.965 6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.906 -8.024 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.490 -7.994 4.065 1.00 0.00 H new ATOM 747 N LEU A 46 129.968 -5.057 3.054 1.00 0.00 N ATOM 748 CA LEU A 46 130.586 -4.377 1.882 1.00 0.00 C ATOM 749 C LEU A 46 131.015 -2.959 2.262 1.00 0.00 C ATOM 750 O LEU A 46 132.069 -2.497 1.875 1.00 0.00 O ATOM 751 CB LEU A 46 129.491 -4.339 0.816 1.00 0.00 C ATOM 752 CG LEU A 46 129.506 -5.643 0.019 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.092 -5.960 -0.467 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.435 -5.489 -1.188 1.00 0.00 C ATOM 0 H LEU A 46 128.950 -5.116 3.034 1.00 0.00 H new ATOM 0 HA LEU A 46 131.477 -4.896 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.517 -4.199 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.648 -3.491 0.149 1.00 0.00 H new ATOM 0 HG LEU A 46 129.862 -6.454 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.103 -6.890 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.428 -6.066 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.736 -5.150 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.448 -6.418 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.076 -4.679 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.444 -5.261 -0.844 1.00 0.00 H new ATOM 766 N THR A 47 130.208 -2.265 3.016 1.00 0.00 N ATOM 767 CA THR A 47 130.583 -0.876 3.414 1.00 0.00 C ATOM 768 C THR A 47 131.963 -0.882 4.065 1.00 0.00 C ATOM 769 O THR A 47 132.788 -0.030 3.799 1.00 0.00 O ATOM 770 CB THR A 47 129.531 -0.430 4.429 1.00 0.00 C ATOM 771 OG1 THR A 47 129.464 -1.374 5.487 1.00 0.00 O ATOM 772 CG2 THR A 47 128.171 -0.325 3.747 1.00 0.00 C ATOM 0 H THR A 47 129.311 -2.595 3.372 1.00 0.00 H new ATOM 0 HA THR A 47 130.620 -0.206 2.555 1.00 0.00 H new ATOM 0 HB THR A 47 129.806 0.545 4.831 1.00 0.00 H new ATOM 0 HG1 THR A 47 128.940 -2.151 5.200 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.423 -0.007 4.473 1.00 0.00 H new ATOM 0 HG22 THR A 47 128.225 0.404 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.892 -1.297 3.341 1.00 0.00 H new ATOM 780 N TYR A 48 132.215 -1.839 4.920 1.00 0.00 N ATOM 781 CA TYR A 48 133.548 -1.907 5.592 1.00 0.00 C ATOM 782 C TYR A 48 134.645 -1.570 4.585 1.00 0.00 C ATOM 783 O TYR A 48 135.602 -0.889 4.892 1.00 0.00 O ATOM 784 CB TYR A 48 133.684 -3.352 6.068 1.00 0.00 C ATOM 785 CG TYR A 48 132.750 -3.589 7.226 1.00 0.00 C ATOM 786 CD1 TYR A 48 131.441 -4.021 6.989 1.00 0.00 C ATOM 787 CD2 TYR A 48 133.193 -3.381 8.537 1.00 0.00 C ATOM 788 CE1 TYR A 48 130.573 -4.245 8.064 1.00 0.00 C ATOM 789 CE2 TYR A 48 132.326 -3.603 9.613 1.00 0.00 C ATOM 790 CZ TYR A 48 131.016 -4.036 9.378 1.00 0.00 C ATOM 791 OH TYR A 48 130.163 -4.258 10.439 1.00 0.00 O ATOM 0 H TYR A 48 131.558 -2.574 5.182 1.00 0.00 H new ATOM 0 HA TYR A 48 133.636 -1.202 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.452 -4.038 5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.712 -3.552 6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 48 131.100 -4.182 5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 48 134.205 -3.049 8.719 1.00 0.00 H new ATOM 0 HE1 TYR A 48 129.562 -4.579 7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 48 132.668 -3.440 10.624 1.00 0.00 H new ATOM 0 HH TYR A 48 129.287 -4.538 10.101 1.00 0.00 H new ATOM 801 N ASN A 49 134.493 -2.034 3.378 1.00 0.00 N ATOM 802 CA ASN A 49 135.504 -1.737 2.324 1.00 0.00 C ATOM 803 C ASN A 49 135.648 -0.237 2.145 1.00 0.00 C ATOM 804 O ASN A 49 135.458 0.536 3.062 1.00 0.00 O ATOM 805 CB ASN A 49 134.953 -2.379 1.050 1.00 0.00 C ATOM 806 CG ASN A 49 134.561 -3.829 1.334 1.00 0.00 C ATOM 807 OD1 ASN A 49 133.476 -4.256 0.992 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.403 -4.611 1.952 1.00 0.00 N ATOM 0 H ASN A 49 133.708 -2.610 3.073 1.00 0.00 H new ATOM 0 HA ASN A 49 136.491 -2.123 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 49 134.087 -1.821 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 49 135.702 -2.343 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 49 135.150 -5.580 2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 49 136.314 -4.254 2.240 1.00 0.00 H new ATOM 815 N VAL A 50 136.028 0.175 0.980 1.00 0.00 N ATOM 816 CA VAL A 50 136.238 1.616 0.744 1.00 0.00 C ATOM 817 C VAL A 50 135.462 2.069 -0.494 1.00 0.00 C ATOM 818 O VAL A 50 135.243 3.245 -0.707 1.00 0.00 O ATOM 819 CB VAL A 50 137.752 1.735 0.540 1.00 0.00 C ATOM 820 CG1 VAL A 50 138.185 3.183 0.771 1.00 0.00 C ATOM 821 CG2 VAL A 50 138.486 0.816 1.540 1.00 0.00 C ATOM 0 H VAL A 50 136.203 -0.428 0.176 1.00 0.00 H new ATOM 0 HA VAL A 50 135.885 2.245 1.561 1.00 0.00 H new ATOM 0 HB VAL A 50 138.002 1.436 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 50 139.262 3.268 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.671 3.834 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.931 3.481 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 50 139.562 0.903 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 50 138.235 1.112 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 50 138.180 -0.217 1.377 1.00 0.00 H new ATOM 831 N VAL A 51 135.032 1.141 -1.303 1.00 0.00 N ATOM 832 CA VAL A 51 134.257 1.504 -2.512 1.00 0.00 C ATOM 833 C VAL A 51 132.818 1.056 -2.317 1.00 0.00 C ATOM 834 O VAL A 51 131.872 1.777 -2.565 1.00 0.00 O ATOM 835 CB VAL A 51 134.940 0.714 -3.642 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.182 -0.585 -3.972 1.00 0.00 C ATOM 837 CG2 VAL A 51 135.029 1.588 -4.894 1.00 0.00 C ATOM 0 H VAL A 51 135.188 0.141 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 51 134.237 2.573 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 51 135.939 0.440 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.697 -1.113 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 51 134.144 -1.219 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.167 -0.344 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 51 135.513 1.029 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 51 134.026 1.877 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 51 135.612 2.482 -4.673 1.00 0.00 H new ATOM 847 N ALA A 52 132.675 -0.160 -1.894 1.00 0.00 N ATOM 848 CA ALA A 52 131.327 -0.732 -1.694 1.00 0.00 C ATOM 849 C ALA A 52 130.455 0.230 -0.885 1.00 0.00 C ATOM 850 O ALA A 52 129.326 0.497 -1.236 1.00 0.00 O ATOM 851 CB ALA A 52 131.560 -2.026 -0.918 1.00 0.00 C ATOM 0 H ALA A 52 133.446 -0.790 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 52 130.810 -0.908 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.604 -2.514 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.197 -2.691 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.046 -1.799 0.031 1.00 0.00 H new ATOM 857 N PHE A 53 130.972 0.750 0.196 1.00 0.00 N ATOM 858 CA PHE A 53 130.170 1.697 1.026 1.00 0.00 C ATOM 859 C PHE A 53 129.709 2.882 0.165 1.00 0.00 C ATOM 860 O PHE A 53 128.535 3.186 0.089 1.00 0.00 O ATOM 861 CB PHE A 53 131.131 2.150 2.139 1.00 0.00 C ATOM 862 CG PHE A 53 130.809 3.561 2.574 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.616 3.832 3.260 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.702 4.599 2.282 1.00 0.00 C ATOM 865 CE1 PHE A 53 129.324 5.146 3.652 1.00 0.00 C ATOM 866 CE2 PHE A 53 131.408 5.908 2.676 1.00 0.00 C ATOM 867 CZ PHE A 53 130.219 6.182 3.361 1.00 0.00 C ATOM 0 H PHE A 53 131.913 0.561 0.540 1.00 0.00 H new ATOM 0 HA PHE A 53 129.268 1.245 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.055 1.474 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.160 2.099 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.926 3.032 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.619 4.388 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 53 128.406 5.359 4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 53 132.099 6.708 2.452 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.992 7.193 3.665 1.00 0.00 H new ATOM 877 N SER A 54 130.625 3.552 -0.478 1.00 0.00 N ATOM 878 CA SER A 54 130.239 4.716 -1.327 1.00 0.00 C ATOM 879 C SER A 54 129.277 4.272 -2.433 1.00 0.00 C ATOM 880 O SER A 54 128.542 5.066 -2.984 1.00 0.00 O ATOM 881 CB SER A 54 131.552 5.220 -1.927 1.00 0.00 C ATOM 882 OG SER A 54 131.490 6.632 -2.069 1.00 0.00 O ATOM 0 H SER A 54 131.623 3.345 -0.453 1.00 0.00 H new ATOM 0 HA SER A 54 129.727 5.491 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.389 4.944 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.726 4.752 -2.896 1.00 0.00 H new ATOM 0 HG SER A 54 132.331 6.960 -2.452 1.00 0.00 H new ATOM 888 N GLU A 55 129.277 3.010 -2.759 1.00 0.00 N ATOM 889 CA GLU A 55 128.364 2.516 -3.828 1.00 0.00 C ATOM 890 C GLU A 55 127.031 2.070 -3.216 1.00 0.00 C ATOM 891 O GLU A 55 126.025 1.971 -3.894 1.00 0.00 O ATOM 892 CB GLU A 55 129.094 1.324 -4.452 1.00 0.00 C ATOM 893 CG GLU A 55 130.532 1.722 -4.801 1.00 0.00 C ATOM 894 CD GLU A 55 130.664 1.871 -6.318 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.862 2.586 -6.895 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.567 1.269 -6.876 1.00 0.00 O ATOM 0 H GLU A 55 129.870 2.299 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 55 128.135 3.285 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 55 129.098 0.484 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.570 0.994 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.791 2.659 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.229 0.967 -4.437 1.00 0.00 H new ATOM 903 N ILE A 56 127.018 1.806 -1.939 1.00 0.00 N ATOM 904 CA ILE A 56 125.759 1.366 -1.275 1.00 0.00 C ATOM 905 C ILE A 56 124.879 2.578 -0.967 1.00 0.00 C ATOM 906 O ILE A 56 123.850 2.781 -1.582 1.00 0.00 O ATOM 907 CB ILE A 56 126.219 0.685 0.014 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.761 -0.708 -0.311 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.040 0.556 0.978 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.923 -1.036 0.627 1.00 0.00 C ATOM 0 H ILE A 56 127.829 1.876 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 56 125.165 0.697 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 56 127.002 1.285 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.971 -1.451 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.095 -0.747 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.372 0.070 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.651 1.547 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.255 -0.041 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.309 -2.029 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.715 -0.299 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.574 -1.014 1.660 1.00 0.00 H new ATOM 922 N MET A 57 125.278 3.392 -0.029 1.00 0.00 N ATOM 923 CA MET A 57 124.463 4.596 0.303 1.00 0.00 C ATOM 924 C MET A 57 124.029 5.289 -0.988 1.00 0.00 C ATOM 925 O MET A 57 122.942 5.820 -1.084 1.00 0.00 O ATOM 926 CB MET A 57 125.397 5.497 1.111 1.00 0.00 C ATOM 927 CG MET A 57 125.658 4.867 2.480 1.00 0.00 C ATOM 928 SD MET A 57 124.093 4.696 3.375 1.00 0.00 S ATOM 929 CE MET A 57 123.720 6.462 3.520 1.00 0.00 C ATOM 0 H MET A 57 126.130 3.277 0.520 1.00 0.00 H new ATOM 0 HA MET A 57 123.559 4.352 0.861 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.337 5.635 0.577 1.00 0.00 H new ATOM 0 HB3 MET A 57 124.952 6.484 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 57 126.129 3.891 2.359 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.350 5.486 3.051 1.00 0.00 H new ATOM 0 HE1 MET A 57 122.795 6.594 4.082 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.535 6.965 4.041 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.605 6.892 2.525 1.00 0.00 H new ATOM 939 N SER A 58 124.872 5.280 -1.987 1.00 0.00 N ATOM 940 CA SER A 58 124.505 5.931 -3.276 1.00 0.00 C ATOM 941 C SER A 58 123.207 5.323 -3.813 1.00 0.00 C ATOM 942 O SER A 58 122.222 6.008 -4.000 1.00 0.00 O ATOM 943 CB SER A 58 125.670 5.632 -4.219 1.00 0.00 C ATOM 944 OG SER A 58 125.574 6.469 -5.364 1.00 0.00 O ATOM 0 H SER A 58 125.797 4.850 -1.965 1.00 0.00 H new ATOM 0 HA SER A 58 124.338 7.003 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.618 5.801 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.651 4.584 -4.518 1.00 0.00 H new ATOM 0 HG SER A 58 126.321 6.281 -5.970 1.00 0.00 H new ATOM 950 N MET A 59 123.198 4.040 -4.056 1.00 0.00 N ATOM 951 CA MET A 59 121.958 3.393 -4.573 1.00 0.00 C ATOM 952 C MET A 59 120.807 3.603 -3.584 1.00 0.00 C ATOM 953 O MET A 59 119.649 3.593 -3.951 1.00 0.00 O ATOM 954 CB MET A 59 122.301 1.907 -4.686 1.00 0.00 C ATOM 955 CG MET A 59 121.173 1.175 -5.415 1.00 0.00 C ATOM 956 SD MET A 59 121.781 0.559 -7.004 1.00 0.00 S ATOM 957 CE MET A 59 121.948 2.165 -7.822 1.00 0.00 C ATOM 0 H MET A 59 123.992 3.414 -3.920 1.00 0.00 H new ATOM 0 HA MET A 59 121.641 3.810 -5.529 1.00 0.00 H new ATOM 0 HB2 MET A 59 123.239 1.780 -5.226 1.00 0.00 H new ATOM 0 HB3 MET A 59 122.444 1.480 -3.693 1.00 0.00 H new ATOM 0 HG2 MET A 59 120.810 0.347 -4.807 1.00 0.00 H new ATOM 0 HG3 MET A 59 120.330 1.848 -5.572 1.00 0.00 H new ATOM 0 HE1 MET A 59 122.109 2.015 -8.889 1.00 0.00 H new ATOM 0 HE2 MET A 59 121.039 2.747 -7.671 1.00 0.00 H new ATOM 0 HE3 MET A 59 122.797 2.702 -7.399 1.00 0.00 H new ATOM 967 N ILE A 60 121.121 3.794 -2.332 1.00 0.00 N ATOM 968 CA ILE A 60 120.051 4.005 -1.316 1.00 0.00 C ATOM 969 C ILE A 60 119.459 5.414 -1.464 1.00 0.00 C ATOM 970 O ILE A 60 118.302 5.644 -1.172 1.00 0.00 O ATOM 971 CB ILE A 60 120.765 3.813 0.035 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.431 2.423 0.582 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.318 4.872 1.049 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.721 1.702 0.981 1.00 0.00 C ATOM 0 H ILE A 60 122.074 3.813 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 60 119.211 3.318 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 60 121.839 3.915 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 60 119.770 2.510 1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 60 119.897 1.844 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 60 120.837 4.713 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.555 5.865 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.243 4.792 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.480 0.713 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.366 1.601 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.237 2.278 1.749 1.00 0.00 H new ATOM 986 N TRP A 61 120.242 6.356 -1.912 1.00 0.00 N ATOM 987 CA TRP A 61 119.723 7.745 -2.076 1.00 0.00 C ATOM 988 C TRP A 61 118.841 7.841 -3.324 1.00 0.00 C ATOM 989 O TRP A 61 117.778 8.428 -3.302 1.00 0.00 O ATOM 990 CB TRP A 61 120.970 8.615 -2.238 1.00 0.00 C ATOM 991 CG TRP A 61 121.742 8.628 -0.958 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.067 8.378 -0.847 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.262 8.902 0.390 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.431 8.480 0.483 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.353 8.801 1.285 1.00 0.00 C ATOM 996 CE3 TRP A 61 119.999 9.225 0.918 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.197 9.012 2.656 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.838 9.438 2.297 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.935 9.332 3.163 1.00 0.00 C ATOM 0 H TRP A 61 121.220 6.225 -2.172 1.00 0.00 H new ATOM 0 HA TRP A 61 119.110 8.057 -1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.592 8.230 -3.046 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.684 9.630 -2.512 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.732 8.138 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.379 8.336 0.830 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.148 9.310 0.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.045 8.929 3.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.864 9.685 2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.805 9.498 4.222 1.00 0.00 H new ATOM 1010 N LYS A 62 119.278 7.272 -4.416 1.00 0.00 N ATOM 1011 CA LYS A 62 118.466 7.336 -5.666 1.00 0.00 C ATOM 1012 C LYS A 62 117.101 6.677 -5.451 1.00 0.00 C ATOM 1013 O LYS A 62 116.073 7.237 -5.779 1.00 0.00 O ATOM 1014 CB LYS A 62 119.279 6.560 -6.703 1.00 0.00 C ATOM 1015 CG LYS A 62 120.022 7.543 -7.610 1.00 0.00 C ATOM 1016 CD LYS A 62 120.800 8.543 -6.753 1.00 0.00 C ATOM 1017 CE LYS A 62 121.427 9.610 -7.654 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.895 9.382 -7.550 1.00 0.00 N ATOM 0 H LYS A 62 120.160 6.767 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 62 118.273 8.362 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.990 5.901 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.620 5.927 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.704 7.003 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.314 8.070 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.135 9.010 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.576 8.027 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.083 9.510 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.158 10.614 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.397 10.075 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.194 9.490 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.121 8.421 -7.877 1.00 0.00 H new ATOM 1032 N ARG A 63 117.081 5.493 -4.903 1.00 0.00 N ATOM 1033 CA ARG A 63 115.780 4.801 -4.669 1.00 0.00 C ATOM 1034 C ARG A 63 115.003 5.495 -3.548 1.00 0.00 C ATOM 1035 O ARG A 63 113.789 5.523 -3.545 1.00 0.00 O ATOM 1036 CB ARG A 63 116.158 3.378 -4.255 1.00 0.00 C ATOM 1037 CG ARG A 63 116.895 2.691 -5.405 1.00 0.00 C ATOM 1038 CD ARG A 63 115.925 2.457 -6.564 1.00 0.00 C ATOM 1039 NE ARG A 63 116.534 1.355 -7.357 1.00 0.00 N ATOM 1040 CZ ARG A 63 115.997 0.165 -7.339 1.00 0.00 C ATOM 1041 NH1 ARG A 63 116.274 -0.660 -6.366 1.00 0.00 N ATOM 1042 NH2 ARG A 63 115.184 -0.198 -8.292 1.00 0.00 N ATOM 0 H ARG A 63 117.908 4.974 -4.607 1.00 0.00 H new ATOM 0 HA ARG A 63 115.142 4.815 -5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.790 3.402 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.263 2.814 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.731 3.307 -5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.312 1.742 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 63 114.935 2.182 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.805 3.357 -7.166 1.00 0.00 H new ATOM 0 HE ARG A 63 117.370 1.529 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 63 116.909 -0.375 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 63 115.855 -1.590 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 63 114.968 0.448 -9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 63 114.765 -1.128 -8.278 1.00 0.00 H new ATOM 1056 N LEU A 64 115.696 6.051 -2.594 1.00 0.00 N ATOM 1057 CA LEU A 64 115.000 6.742 -1.470 1.00 0.00 C ATOM 1058 C LEU A 64 114.086 7.843 -2.003 1.00 0.00 C ATOM 1059 O LEU A 64 113.190 8.303 -1.324 1.00 0.00 O ATOM 1060 CB LEU A 64 116.117 7.345 -0.627 1.00 0.00 C ATOM 1061 CG LEU A 64 116.264 6.536 0.658 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.423 7.097 1.484 1.00 0.00 C ATOM 1063 CD2 LEU A 64 114.959 6.627 1.455 1.00 0.00 C ATOM 0 H LEU A 64 116.715 6.057 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 64 114.373 6.060 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.054 7.339 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.892 8.385 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 64 116.472 5.493 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.528 6.519 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.346 7.033 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.222 8.139 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.054 6.052 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 64 114.753 7.669 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.140 6.225 0.859 1.00 0.00 H new ATOM 1075 N ASN A 65 114.305 8.272 -3.212 1.00 0.00 N ATOM 1076 CA ASN A 65 113.450 9.342 -3.785 1.00 0.00 C ATOM 1077 C ASN A 65 112.469 8.742 -4.792 1.00 0.00 C ATOM 1078 O ASN A 65 112.181 9.326 -5.817 1.00 0.00 O ATOM 1079 CB ASN A 65 114.419 10.299 -4.477 1.00 0.00 C ATOM 1080 CG ASN A 65 113.866 11.724 -4.406 1.00 0.00 C ATOM 1081 OD1 ASN A 65 113.355 12.139 -3.385 1.00 0.00 O ATOM 1082 ND2 ASN A 65 113.945 12.495 -5.456 1.00 0.00 N ATOM 0 H ASN A 65 115.041 7.927 -3.828 1.00 0.00 H new ATOM 0 HA ASN A 65 112.856 9.851 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.397 10.253 -3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.559 10.003 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 65 113.578 13.446 -5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.374 12.147 -6.313 1.00 0.00 H new ATOM 1161 N TRP A 71 105.830 4.723 -3.121 1.00 0.00 N ATOM 1162 CA TRP A 71 106.707 5.040 -1.956 1.00 0.00 C ATOM 1163 C TRP A 71 107.235 3.750 -1.321 1.00 0.00 C ATOM 1164 O TRP A 71 108.093 3.777 -0.462 1.00 0.00 O ATOM 1165 CB TRP A 71 105.807 5.792 -0.975 1.00 0.00 C ATOM 1166 CG TRP A 71 104.622 4.946 -0.634 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.377 5.115 -1.134 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.548 3.807 0.271 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.543 4.153 -0.593 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.218 3.322 0.277 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.496 3.152 1.078 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 102.842 2.228 1.058 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.121 2.050 1.865 1.00 0.00 C ATOM 1174 CH2 TRP A 71 103.796 1.590 1.855 1.00 0.00 C ATOM 0 HA TRP A 71 107.578 5.629 -2.244 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.363 6.038 -0.071 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.480 6.734 -1.415 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.082 5.877 -1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.550 4.068 -0.811 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.519 3.498 1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 101.821 1.877 1.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 105.857 1.555 2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.513 0.743 2.463 1.00 0.00 H new ATOM 1185 N ARG A 72 106.728 2.622 -1.736 1.00 0.00 N ATOM 1186 CA ARG A 72 107.202 1.334 -1.152 1.00 0.00 C ATOM 1187 C ARG A 72 108.722 1.214 -1.298 1.00 0.00 C ATOM 1188 O ARG A 72 109.379 0.555 -0.518 1.00 0.00 O ATOM 1189 CB ARG A 72 106.496 0.246 -1.961 1.00 0.00 C ATOM 1190 CG ARG A 72 106.679 0.519 -3.454 1.00 0.00 C ATOM 1191 CD ARG A 72 106.776 -0.810 -4.207 1.00 0.00 C ATOM 1192 NE ARG A 72 105.401 -1.381 -4.155 1.00 0.00 N ATOM 1193 CZ ARG A 72 105.233 -2.670 -4.044 1.00 0.00 C ATOM 1194 NH1 ARG A 72 106.155 -3.486 -4.477 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.144 -3.143 -3.503 1.00 0.00 N ATOM 0 H ARG A 72 106.007 2.536 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 72 106.979 1.257 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.903 -0.733 -1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 72 105.435 0.224 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.841 1.104 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 72 107.580 1.109 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 72 107.102 -0.658 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 72 107.499 -1.478 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 72 104.591 -0.764 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 72 107.005 -3.116 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 72 106.025 -4.494 -4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 103.423 -2.505 -3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 72 104.014 -4.151 -3.417 1.00 0.00 H new ATOM 1209 N HIS A 73 109.287 1.850 -2.290 1.00 0.00 N ATOM 1210 CA HIS A 73 110.765 1.771 -2.478 1.00 0.00 C ATOM 1211 C HIS A 73 111.474 2.595 -1.401 1.00 0.00 C ATOM 1212 O HIS A 73 112.526 2.228 -0.916 1.00 0.00 O ATOM 1213 CB HIS A 73 111.023 2.362 -3.863 1.00 0.00 C ATOM 1214 CG HIS A 73 111.491 1.276 -4.793 1.00 0.00 C ATOM 1215 ND1 HIS A 73 111.242 -0.074 -4.823 1.00 0.00 N flip ATOM 1216 CD2 HIS A 73 112.333 1.531 -5.863 1.00 0.00 C flip ATOM 1217 CE1 HIS A 73 111.918 -0.650 -5.895 1.00 0.00 C flip ATOM 1218 NE2 HIS A 73 112.560 0.360 -6.488 1.00 0.00 N flip ATOM 0 H HIS A 73 108.791 2.419 -2.976 1.00 0.00 H new ATOM 0 HA HIS A 73 111.139 0.750 -2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.113 2.820 -4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 73 111.774 3.150 -3.800 1.00 0.00 H new ATOM 0 HD1 HIS A 73 110.652 -0.578 -4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 73 112.734 2.493 -6.145 1.00 0.00 H new ATOM 0 HE1 HIS A 73 111.922 -1.690 -6.185 1.00 0.00 H new ATOM 1226 N VAL A 74 110.901 3.704 -1.019 1.00 0.00 N ATOM 1227 CA VAL A 74 111.535 4.551 0.032 1.00 0.00 C ATOM 1228 C VAL A 74 111.618 3.777 1.349 1.00 0.00 C ATOM 1229 O VAL A 74 112.685 3.565 1.891 1.00 0.00 O ATOM 1230 CB VAL A 74 110.605 5.755 0.178 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.010 6.564 1.410 1.00 0.00 C ATOM 1232 CG2 VAL A 74 110.709 6.635 -1.072 1.00 0.00 C ATOM 0 H VAL A 74 110.020 4.061 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 74 112.551 4.848 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 74 109.577 5.410 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.347 7.423 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.935 5.937 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.037 6.910 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.046 7.494 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 74 111.736 6.981 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.419 6.057 -1.949 1.00 0.00 H new ATOM 1242 N TYR A 75 110.498 3.351 1.868 1.00 0.00 N ATOM 1243 CA TYR A 75 110.512 2.588 3.147 1.00 0.00 C ATOM 1244 C TYR A 75 111.590 1.503 3.099 1.00 0.00 C ATOM 1245 O TYR A 75 112.327 1.302 4.043 1.00 0.00 O ATOM 1246 CB TYR A 75 109.121 1.959 3.245 1.00 0.00 C ATOM 1247 CG TYR A 75 108.849 1.542 4.670 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.820 2.500 5.690 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.619 0.194 4.971 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.561 2.111 7.010 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.362 -0.196 6.291 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.333 0.763 7.311 1.00 0.00 C ATOM 1253 OH TYR A 75 108.077 0.378 8.611 1.00 0.00 O ATOM 0 H TYR A 75 109.575 3.499 1.461 1.00 0.00 H new ATOM 0 HA TYR A 75 110.735 3.220 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.365 2.671 2.914 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.055 1.095 2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 75 108.997 3.540 5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.640 -0.546 4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.537 2.851 7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.186 -1.236 6.522 1.00 0.00 H new ATOM 0 HH TYR A 75 107.941 -0.592 8.644 1.00 0.00 H new ATOM 1263 N LYS A 76 111.689 0.803 2.001 1.00 0.00 N ATOM 1264 CA LYS A 76 112.720 -0.269 1.891 1.00 0.00 C ATOM 1265 C LYS A 76 114.124 0.342 1.936 1.00 0.00 C ATOM 1266 O LYS A 76 115.039 -0.221 2.507 1.00 0.00 O ATOM 1267 CB LYS A 76 112.462 -0.925 0.534 1.00 0.00 C ATOM 1268 CG LYS A 76 111.274 -1.883 0.645 1.00 0.00 C ATOM 1269 CD LYS A 76 111.782 -3.324 0.717 1.00 0.00 C ATOM 1270 CE LYS A 76 110.816 -4.167 1.552 1.00 0.00 C ATOM 1271 NZ LYS A 76 109.487 -3.993 0.900 1.00 0.00 N ATOM 0 H LYS A 76 111.101 0.927 1.177 1.00 0.00 H new ATOM 0 HA LYS A 76 112.661 -0.987 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.258 -0.162 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.349 -1.466 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.687 -1.649 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.614 -1.762 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.870 -3.740 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.778 -3.348 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 76 111.116 -5.215 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 76 110.794 -3.831 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 108.892 -4.822 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 109.026 -3.139 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.614 -3.896 -0.128 1.00 0.00 H new ATOM 1285 N ALA A 77 114.302 1.490 1.341 1.00 0.00 N ATOM 1286 CA ALA A 77 115.646 2.134 1.352 1.00 0.00 C ATOM 1287 C ALA A 77 116.023 2.535 2.780 1.00 0.00 C ATOM 1288 O ALA A 77 117.185 2.615 3.128 1.00 0.00 O ATOM 1289 CB ALA A 77 115.500 3.374 0.469 1.00 0.00 C ATOM 0 H ALA A 77 113.575 2.009 0.848 1.00 0.00 H new ATOM 0 HA ALA A 77 116.428 1.467 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.451 3.904 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.208 3.072 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.737 4.030 0.887 1.00 0.00 H new ATOM 1295 N MET A 78 115.049 2.790 3.606 1.00 0.00 N ATOM 1296 CA MET A 78 115.344 3.189 5.012 1.00 0.00 C ATOM 1297 C MET A 78 115.874 1.994 5.805 1.00 0.00 C ATOM 1298 O MET A 78 116.773 2.123 6.612 1.00 0.00 O ATOM 1299 CB MET A 78 114.005 3.657 5.581 1.00 0.00 C ATOM 1300 CG MET A 78 113.293 4.545 4.558 1.00 0.00 C ATOM 1301 SD MET A 78 112.944 6.155 5.303 1.00 0.00 S ATOM 1302 CE MET A 78 111.206 6.258 4.809 1.00 0.00 C ATOM 0 H MET A 78 114.058 2.740 3.369 1.00 0.00 H new ATOM 0 HA MET A 78 116.106 3.967 5.066 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.382 2.797 5.826 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.165 4.209 6.507 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.915 4.669 3.672 1.00 0.00 H new ATOM 0 HG3 MET A 78 112.366 4.073 4.233 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.938 7.300 4.638 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.054 5.689 3.892 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.578 5.847 5.599 1.00 0.00 H new ATOM 1312 N THR A 79 115.325 0.831 5.586 1.00 0.00 N ATOM 1313 CA THR A 79 115.801 -0.368 6.333 1.00 0.00 C ATOM 1314 C THR A 79 117.256 -0.664 5.979 1.00 0.00 C ATOM 1315 O THR A 79 118.036 -1.085 6.811 1.00 0.00 O ATOM 1316 CB THR A 79 114.890 -1.510 5.879 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.569 -1.270 6.342 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.402 -2.832 6.451 1.00 0.00 C ATOM 0 H THR A 79 114.569 0.659 4.923 1.00 0.00 H new ATOM 0 HA THR A 79 115.761 -0.225 7.413 1.00 0.00 H new ATOM 0 HB THR A 79 114.890 -1.565 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.983 -1.999 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.752 -3.645 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.416 -3.014 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.404 -2.781 7.540 1.00 0.00 H new ATOM 1326 N LEU A 80 117.634 -0.442 4.753 1.00 0.00 N ATOM 1327 CA LEU A 80 119.046 -0.705 4.356 1.00 0.00 C ATOM 1328 C LEU A 80 119.945 0.412 4.887 1.00 0.00 C ATOM 1329 O LEU A 80 121.059 0.177 5.311 1.00 0.00 O ATOM 1330 CB LEU A 80 119.041 -0.711 2.828 1.00 0.00 C ATOM 1331 CG LEU A 80 120.436 -1.076 2.323 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.879 -2.399 2.951 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.405 -1.219 0.800 1.00 0.00 C ATOM 0 H LEU A 80 117.030 -0.091 4.010 1.00 0.00 H new ATOM 0 HA LEU A 80 119.424 -1.645 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.308 -1.428 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.749 0.268 2.449 1.00 0.00 H new ATOM 0 HG LEU A 80 121.139 -0.291 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.874 -2.658 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.902 -2.297 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.177 -3.186 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.400 -1.479 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.701 -2.004 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.092 -0.276 0.352 1.00 0.00 H new ATOM 1345 N MET A 81 119.467 1.625 4.876 1.00 0.00 N ATOM 1346 CA MET A 81 120.292 2.754 5.389 1.00 0.00 C ATOM 1347 C MET A 81 120.381 2.685 6.916 1.00 0.00 C ATOM 1348 O MET A 81 121.271 3.248 7.521 1.00 0.00 O ATOM 1349 CB MET A 81 119.554 4.019 4.949 1.00 0.00 C ATOM 1350 CG MET A 81 120.124 5.228 5.692 1.00 0.00 C ATOM 1351 SD MET A 81 120.300 6.615 4.543 1.00 0.00 S ATOM 1352 CE MET A 81 118.543 7.023 4.408 1.00 0.00 C ATOM 0 H MET A 81 118.541 1.883 4.534 1.00 0.00 H new ATOM 0 HA MET A 81 121.313 2.729 5.008 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.659 4.158 3.873 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.488 3.921 5.156 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.466 5.505 6.515 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.091 4.978 6.127 1.00 0.00 H new ATOM 0 HE1 MET A 81 118.414 7.846 3.706 1.00 0.00 H new ATOM 0 HE2 MET A 81 117.994 6.152 4.051 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.162 7.317 5.386 1.00 0.00 H new ATOM 1362 N GLU A 82 119.463 2.001 7.543 1.00 0.00 N ATOM 1363 CA GLU A 82 119.495 1.900 9.028 1.00 0.00 C ATOM 1364 C GLU A 82 120.324 0.686 9.459 1.00 0.00 C ATOM 1365 O GLU A 82 121.018 0.714 10.455 1.00 0.00 O ATOM 1366 CB GLU A 82 118.036 1.722 9.443 1.00 0.00 C ATOM 1367 CG GLU A 82 117.803 2.402 10.794 1.00 0.00 C ATOM 1368 CD GLU A 82 117.658 1.338 11.884 1.00 0.00 C ATOM 1369 OE1 GLU A 82 118.456 0.415 11.894 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.752 1.465 12.691 1.00 0.00 O ATOM 0 H GLU A 82 118.693 1.508 7.091 1.00 0.00 H new ATOM 0 HA GLU A 82 119.949 2.776 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.377 2.152 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.793 0.662 9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.636 3.065 11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 82 116.906 3.019 10.752 1.00 0.00 H new ATOM 1377 N TYR A 83 120.247 -0.384 8.714 1.00 0.00 N ATOM 1378 CA TYR A 83 121.015 -1.607 9.069 1.00 0.00 C ATOM 1379 C TYR A 83 122.506 -1.413 8.779 1.00 0.00 C ATOM 1380 O TYR A 83 123.355 -1.805 9.556 1.00 0.00 O ATOM 1381 CB TYR A 83 120.432 -2.695 8.169 1.00 0.00 C ATOM 1382 CG TYR A 83 121.167 -3.989 8.401 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.424 -4.191 7.822 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.592 -4.986 9.193 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.107 -5.395 8.036 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.273 -6.190 9.409 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.531 -6.394 8.830 1.00 0.00 C ATOM 1388 OH TYR A 83 123.204 -7.581 9.041 1.00 0.00 O ATOM 0 H TYR A 83 119.680 -0.461 7.869 1.00 0.00 H new ATOM 0 HA TYR A 83 120.936 -1.854 10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.370 -2.825 8.379 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.516 -2.400 7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 83 122.868 -3.419 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.621 -4.828 9.639 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.077 -5.553 7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.828 -6.960 10.022 1.00 0.00 H new ATOM 0 HH TYR A 83 122.665 -8.165 9.615 1.00 0.00 H new ATOM 1398 N LEU A 84 122.831 -0.818 7.666 1.00 0.00 N ATOM 1399 CA LEU A 84 124.269 -0.608 7.325 1.00 0.00 C ATOM 1400 C LEU A 84 124.906 0.393 8.294 1.00 0.00 C ATOM 1401 O LEU A 84 126.085 0.332 8.577 1.00 0.00 O ATOM 1402 CB LEU A 84 124.259 -0.054 5.900 1.00 0.00 C ATOM 1403 CG LEU A 84 123.524 -1.033 4.981 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.313 -0.389 3.611 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.358 -2.307 4.825 1.00 0.00 C ATOM 0 H LEU A 84 122.165 -0.468 6.977 1.00 0.00 H new ATOM 0 HA LEU A 84 124.851 -1.527 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.769 0.919 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.280 0.096 5.549 1.00 0.00 H new ATOM 0 HG LEU A 84 122.556 -1.282 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.790 -1.087 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.719 0.518 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.280 -0.138 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.836 -3.006 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.326 -2.057 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.506 -2.767 5.802 1.00 0.00 H new ATOM 1417 N ILE A 85 124.139 1.316 8.802 1.00 0.00 N ATOM 1418 CA ILE A 85 124.708 2.316 9.750 1.00 0.00 C ATOM 1419 C ILE A 85 125.087 1.633 11.069 1.00 0.00 C ATOM 1420 O ILE A 85 125.783 2.194 11.892 1.00 0.00 O ATOM 1421 CB ILE A 85 123.589 3.336 9.968 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.516 4.270 8.757 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.877 4.157 11.226 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.417 5.310 8.980 1.00 0.00 C ATOM 0 H ILE A 85 123.144 1.422 8.603 1.00 0.00 H new ATOM 0 HA ILE A 85 125.613 2.786 9.366 1.00 0.00 H new ATOM 0 HB ILE A 85 122.640 2.814 10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.475 4.765 8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.310 3.696 7.854 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.078 4.882 11.378 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.933 3.493 12.089 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.825 4.681 11.109 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.365 5.975 8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.459 4.806 9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.642 5.892 9.874 1.00 0.00 H new ATOM 1436 N LYS A 86 124.639 0.424 11.272 1.00 0.00 N ATOM 1437 CA LYS A 86 124.975 -0.297 12.534 1.00 0.00 C ATOM 1438 C LYS A 86 126.059 -1.345 12.265 1.00 0.00 C ATOM 1439 O LYS A 86 127.173 -1.233 12.733 1.00 0.00 O ATOM 1440 CB LYS A 86 123.672 -0.970 12.967 1.00 0.00 C ATOM 1441 CG LYS A 86 123.084 -0.222 14.165 1.00 0.00 C ATOM 1442 CD LYS A 86 121.692 0.304 13.807 1.00 0.00 C ATOM 1443 CE LYS A 86 121.477 1.671 14.459 1.00 0.00 C ATOM 1444 NZ LYS A 86 121.422 1.396 15.921 1.00 0.00 N ATOM 0 H LYS A 86 124.054 -0.097 10.618 1.00 0.00 H new ATOM 0 HA LYS A 86 125.360 0.371 13.304 1.00 0.00 H new ATOM 0 HB2 LYS A 86 122.960 -0.973 12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.858 -2.011 13.231 1.00 0.00 H new ATOM 0 HG2 LYS A 86 123.023 -0.886 15.027 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.736 0.605 14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 86 121.590 0.386 12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 86 120.929 -0.396 14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 86 122.289 2.356 14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 86 120.554 2.134 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 120.435 1.443 16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 121.805 0.448 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 121.988 2.105 16.429 1.00 0.00 H new ATOM 1458 N THR A 87 125.739 -2.360 11.509 1.00 0.00 N ATOM 1459 CA THR A 87 126.753 -3.410 11.204 1.00 0.00 C ATOM 1460 C THR A 87 127.397 -3.134 9.844 1.00 0.00 C ATOM 1461 O THR A 87 128.146 -3.937 9.325 1.00 0.00 O ATOM 1462 CB THR A 87 125.968 -4.723 11.172 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.877 -5.815 11.160 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.096 -4.768 9.918 1.00 0.00 C ATOM 0 H THR A 87 124.821 -2.508 11.090 1.00 0.00 H new ATOM 0 HA THR A 87 127.557 -3.438 11.939 1.00 0.00 H new ATOM 0 HB THR A 87 125.332 -4.789 12.055 1.00 0.00 H new ATOM 0 HG1 THR A 87 127.625 -5.612 10.560 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.537 -5.704 9.897 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.399 -3.930 9.929 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.728 -4.703 9.033 1.00 0.00 H new ATOM 1472 N GLY A 88 127.109 -2.001 9.265 1.00 0.00 N ATOM 1473 CA GLY A 88 127.702 -1.665 7.939 1.00 0.00 C ATOM 1474 C GLY A 88 128.948 -0.801 8.145 1.00 0.00 C ATOM 1475 O GLY A 88 129.285 0.028 7.328 1.00 0.00 O ATOM 0 H GLY A 88 126.487 -1.292 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.963 -2.578 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 88 126.974 -1.133 7.327 1.00 0.00 H new ATOM 1479 N SER A 89 129.634 -0.994 9.237 1.00 0.00 N ATOM 1480 CA SER A 89 130.864 -0.192 9.513 1.00 0.00 C ATOM 1481 C SER A 89 130.489 1.247 9.876 1.00 0.00 C ATOM 1482 O SER A 89 129.427 1.730 9.533 1.00 0.00 O ATOM 1483 CB SER A 89 131.675 -0.228 8.217 1.00 0.00 C ATOM 1484 OG SER A 89 131.534 1.013 7.538 1.00 0.00 O ATOM 0 H SER A 89 129.396 -1.677 9.956 1.00 0.00 H new ATOM 0 HA SER A 89 131.432 -0.593 10.352 1.00 0.00 H new ATOM 0 HB2 SER A 89 132.726 -0.417 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.330 -1.044 7.582 1.00 0.00 H new ATOM 0 HG SER A 89 130.713 1.002 7.003 1.00 0.00 H new ATOM 1490 N GLU A 90 131.352 1.934 10.572 1.00 0.00 N ATOM 1491 CA GLU A 90 131.051 3.341 10.966 1.00 0.00 C ATOM 1492 C GLU A 90 131.039 4.252 9.735 1.00 0.00 C ATOM 1493 O GLU A 90 130.639 5.396 9.803 1.00 0.00 O ATOM 1494 CB GLU A 90 132.187 3.735 11.908 1.00 0.00 C ATOM 1495 CG GLU A 90 131.822 3.345 13.342 1.00 0.00 C ATOM 1496 CD GLU A 90 132.502 4.305 14.320 1.00 0.00 C ATOM 1497 OE1 GLU A 90 133.699 4.504 14.188 1.00 0.00 O ATOM 1498 OE2 GLU A 90 131.815 4.826 15.183 1.00 0.00 O ATOM 0 H GLU A 90 132.256 1.581 10.886 1.00 0.00 H new ATOM 0 HA GLU A 90 130.072 3.435 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.110 3.238 11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.368 4.808 11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 90 130.741 3.378 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 90 132.136 2.321 13.543 1.00 0.00 H new ATOM 1505 N ARG A 91 131.472 3.751 8.611 1.00 0.00 N ATOM 1506 CA ARG A 91 131.480 4.591 7.379 1.00 0.00 C ATOM 1507 C ARG A 91 130.046 4.845 6.922 1.00 0.00 C ATOM 1508 O ARG A 91 129.671 5.953 6.596 1.00 0.00 O ATOM 1509 CB ARG A 91 132.237 3.766 6.337 1.00 0.00 C ATOM 1510 CG ARG A 91 133.712 3.679 6.727 1.00 0.00 C ATOM 1511 CD ARG A 91 134.424 4.970 6.317 1.00 0.00 C ATOM 1512 NE ARG A 91 135.522 5.134 7.310 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.747 5.320 6.902 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.971 5.877 5.744 1.00 0.00 N ATOM 1515 NH2 ARG A 91 137.748 4.950 7.653 1.00 0.00 N ATOM 0 H ARG A 91 131.820 2.800 8.492 1.00 0.00 H new ATOM 0 HA ARG A 91 131.947 5.563 7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.809 2.766 6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.137 4.224 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.807 3.524 7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.178 2.823 6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.816 4.900 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.743 5.821 6.337 1.00 0.00 H new ATOM 0 HE ARG A 91 135.316 5.101 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 91 136.188 6.167 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 91 137.929 6.023 5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 91 137.573 4.515 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 91 138.706 5.095 7.334 1.00 0.00 H new ATOM 1529 N VAL A 92 129.241 3.822 6.905 1.00 0.00 N ATOM 1530 CA VAL A 92 127.826 3.997 6.481 1.00 0.00 C ATOM 1531 C VAL A 92 127.180 5.123 7.288 1.00 0.00 C ATOM 1532 O VAL A 92 126.441 5.932 6.761 1.00 0.00 O ATOM 1533 CB VAL A 92 127.166 2.657 6.784 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.672 2.742 6.467 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.816 1.573 5.919 1.00 0.00 C ATOM 0 H VAL A 92 129.502 2.871 7.167 1.00 0.00 H new ATOM 0 HA VAL A 92 127.727 4.267 5.430 1.00 0.00 H new ATOM 0 HB VAL A 92 127.295 2.411 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.199 1.784 6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.214 3.519 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.537 2.983 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.349 0.611 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.681 1.819 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.881 1.517 6.145 1.00 0.00 H new ATOM 1545 N SER A 93 127.464 5.192 8.561 1.00 0.00 N ATOM 1546 CA SER A 93 126.877 6.278 9.396 1.00 0.00 C ATOM 1547 C SER A 93 127.476 7.621 8.981 1.00 0.00 C ATOM 1548 O SER A 93 126.793 8.623 8.913 1.00 0.00 O ATOM 1549 CB SER A 93 127.266 5.935 10.832 1.00 0.00 C ATOM 1550 OG SER A 93 127.114 4.536 11.039 1.00 0.00 O ATOM 0 H SER A 93 128.076 4.544 9.057 1.00 0.00 H new ATOM 0 HA SER A 93 125.796 6.355 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 93 128.297 6.232 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 93 126.640 6.488 11.532 1.00 0.00 H new ATOM 0 HG SER A 93 127.364 4.312 11.960 1.00 0.00 H new ATOM 1556 N GLN A 94 128.749 7.646 8.691 1.00 0.00 N ATOM 1557 CA GLN A 94 129.385 8.923 8.269 1.00 0.00 C ATOM 1558 C GLN A 94 128.637 9.488 7.063 1.00 0.00 C ATOM 1559 O GLN A 94 128.474 10.684 6.923 1.00 0.00 O ATOM 1560 CB GLN A 94 130.822 8.550 7.897 1.00 0.00 C ATOM 1561 CG GLN A 94 131.623 8.281 9.172 1.00 0.00 C ATOM 1562 CD GLN A 94 133.021 8.891 9.039 1.00 0.00 C ATOM 1563 OE1 GLN A 94 133.165 10.020 8.616 1.00 0.00 O ATOM 1564 NE2 GLN A 94 134.063 8.186 9.385 1.00 0.00 N ATOM 0 H GLN A 94 129.372 6.840 8.728 1.00 0.00 H new ATOM 0 HA GLN A 94 129.362 9.685 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.826 7.667 7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.283 9.357 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 94 131.109 8.708 10.033 1.00 0.00 H new ATOM 0 HG3 GLN A 94 131.699 7.208 9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.942 7.238 9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 94 134.999 8.583 9.300 1.00 0.00 H new ATOM 1573 N GLN A 95 128.164 8.632 6.202 1.00 0.00 N ATOM 1574 CA GLN A 95 127.405 9.117 5.017 1.00 0.00 C ATOM 1575 C GLN A 95 126.059 9.668 5.480 1.00 0.00 C ATOM 1576 O GLN A 95 125.595 10.686 5.008 1.00 0.00 O ATOM 1577 CB GLN A 95 127.207 7.886 4.132 1.00 0.00 C ATOM 1578 CG GLN A 95 126.497 8.294 2.840 1.00 0.00 C ATOM 1579 CD GLN A 95 127.493 8.269 1.679 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.339 7.503 0.748 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.516 9.079 1.695 1.00 0.00 N ATOM 0 H GLN A 95 128.270 7.620 6.267 1.00 0.00 H new ATOM 0 HA GLN A 95 127.923 9.912 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.171 7.432 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 95 126.619 7.136 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 95 125.669 7.614 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.071 9.292 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 95 128.645 9.722 2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.186 9.069 0.926 1.00 0.00 H new ATOM 1590 N CYS A 96 125.434 9.011 6.418 1.00 0.00 N ATOM 1591 CA CYS A 96 124.127 9.510 6.924 1.00 0.00 C ATOM 1592 C CYS A 96 124.296 10.953 7.397 1.00 0.00 C ATOM 1593 O CYS A 96 123.393 11.761 7.305 1.00 0.00 O ATOM 1594 CB CYS A 96 123.774 8.592 8.094 1.00 0.00 C ATOM 1595 SG CYS A 96 122.321 9.244 8.956 1.00 0.00 S ATOM 0 H CYS A 96 125.772 8.153 6.854 1.00 0.00 H new ATOM 0 HA CYS A 96 123.344 9.501 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 96 123.573 7.584 7.731 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.617 8.521 8.782 1.00 0.00 H new ATOM 0 HG CYS A 96 121.364 8.365 8.919 1.00 0.00 H new ATOM 1601 N LYS A 97 125.457 11.280 7.894 1.00 0.00 N ATOM 1602 CA LYS A 97 125.704 12.669 8.367 1.00 0.00 C ATOM 1603 C LYS A 97 126.062 13.568 7.181 1.00 0.00 C ATOM 1604 O LYS A 97 125.853 14.765 7.211 1.00 0.00 O ATOM 1605 CB LYS A 97 126.883 12.555 9.332 1.00 0.00 C ATOM 1606 CG LYS A 97 126.553 11.535 10.423 1.00 0.00 C ATOM 1607 CD LYS A 97 127.557 11.670 11.570 1.00 0.00 C ATOM 1608 CE LYS A 97 127.901 10.282 12.113 1.00 0.00 C ATOM 1609 NZ LYS A 97 129.002 10.511 13.091 1.00 0.00 N ATOM 0 H LYS A 97 126.247 10.642 7.993 1.00 0.00 H new ATOM 0 HA LYS A 97 124.829 13.107 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 97 127.780 12.249 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.096 13.526 9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.540 11.696 10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 97 126.586 10.525 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 97 128.460 12.169 11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.138 12.289 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 97 127.037 9.821 12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 97 128.217 9.613 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 129.292 9.603 13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 129.813 10.944 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 128.670 11.146 13.845 1.00 0.00 H new ATOM 1623 N GLU A 98 126.597 12.999 6.133 1.00 0.00 N ATOM 1624 CA GLU A 98 126.966 13.820 4.944 1.00 0.00 C ATOM 1625 C GLU A 98 125.703 14.200 4.161 1.00 0.00 C ATOM 1626 O GLU A 98 125.685 15.159 3.415 1.00 0.00 O ATOM 1627 CB GLU A 98 127.897 12.920 4.113 1.00 0.00 C ATOM 1628 CG GLU A 98 127.086 12.046 3.148 1.00 0.00 C ATOM 1629 CD GLU A 98 127.158 12.635 1.738 1.00 0.00 C ATOM 1630 OE1 GLU A 98 126.390 13.540 1.456 1.00 0.00 O ATOM 1631 OE2 GLU A 98 127.980 12.173 0.965 1.00 0.00 O ATOM 0 H GLU A 98 126.794 12.002 6.050 1.00 0.00 H new ATOM 0 HA GLU A 98 127.457 14.756 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 98 128.600 13.535 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.487 12.287 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 98 127.476 11.028 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 98 126.048 11.990 3.477 1.00 0.00 H new ATOM 1638 N ASN A 99 124.647 13.452 4.333 1.00 0.00 N ATOM 1639 CA ASN A 99 123.384 13.756 3.608 1.00 0.00 C ATOM 1640 C ASN A 99 122.183 13.523 4.529 1.00 0.00 C ATOM 1641 O ASN A 99 121.197 12.930 4.140 1.00 0.00 O ATOM 1642 CB ASN A 99 123.357 12.781 2.432 1.00 0.00 C ATOM 1643 CG ASN A 99 122.513 13.369 1.299 1.00 0.00 C ATOM 1644 OD1 ASN A 99 122.128 14.521 1.348 1.00 0.00 O ATOM 1645 ND2 ASN A 99 122.208 12.623 0.273 1.00 0.00 N ATOM 0 H ASN A 99 124.606 12.639 4.948 1.00 0.00 H new ATOM 0 HA ASN A 99 123.335 14.793 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.371 12.589 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.943 11.824 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 99 121.647 13.006 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 99 122.531 11.656 0.231 1.00 0.00 H new ATOM 1652 N MET A 100 122.260 13.982 5.749 1.00 0.00 N ATOM 1653 CA MET A 100 121.124 13.784 6.694 1.00 0.00 C ATOM 1654 C MET A 100 119.860 14.443 6.139 1.00 0.00 C ATOM 1655 O MET A 100 118.764 13.944 6.301 1.00 0.00 O ATOM 1656 CB MET A 100 121.561 14.467 7.990 1.00 0.00 C ATOM 1657 CG MET A 100 120.818 13.843 9.173 1.00 0.00 C ATOM 1658 SD MET A 100 121.258 14.723 10.693 1.00 0.00 S ATOM 1659 CE MET A 100 120.419 16.279 10.308 1.00 0.00 C ATOM 0 H MET A 100 123.060 14.485 6.132 1.00 0.00 H new ATOM 0 HA MET A 100 120.893 12.730 6.849 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.637 14.359 8.125 1.00 0.00 H new ATOM 0 HB3 MET A 100 121.352 15.536 7.939 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.742 13.895 9.009 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.076 12.788 9.263 1.00 0.00 H new ATOM 0 HE1 MET A 100 121.154 17.020 9.994 1.00 0.00 H new ATOM 0 HE2 MET A 100 119.701 16.116 9.504 1.00 0.00 H new ATOM 0 HE3 MET A 100 119.896 16.639 11.194 1.00 0.00 H new ATOM 1669 N TYR A 101 120.007 15.560 5.485 1.00 0.00 N ATOM 1670 CA TYR A 101 118.817 16.253 4.915 1.00 0.00 C ATOM 1671 C TYR A 101 118.076 15.317 3.957 1.00 0.00 C ATOM 1672 O TYR A 101 116.885 15.434 3.754 1.00 0.00 O ATOM 1673 CB TYR A 101 119.387 17.458 4.159 1.00 0.00 C ATOM 1674 CG TYR A 101 119.878 18.502 5.141 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.959 18.208 6.510 1.00 0.00 C ATOM 1676 CD2 TYR A 101 120.255 19.769 4.677 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.416 19.179 7.409 1.00 0.00 C ATOM 1678 CE2 TYR A 101 120.711 20.739 5.578 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.792 20.444 6.943 1.00 0.00 C ATOM 1680 OH TYR A 101 121.242 21.400 7.831 1.00 0.00 O ATOM 0 H TYR A 101 120.900 16.024 5.320 1.00 0.00 H new ATOM 0 HA TYR A 101 118.103 16.555 5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.206 17.139 3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.622 17.887 3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 101 119.669 17.232 6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 101 120.194 19.998 3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 101 120.478 18.952 8.463 1.00 0.00 H new ATOM 0 HE2 TYR A 101 121.000 21.716 5.219 1.00 0.00 H new ATOM 0 HH TYR A 101 121.463 22.221 7.344 1.00 0.00 H new ATOM 1690 N ALA A 102 118.778 14.387 3.368 1.00 0.00 N ATOM 1691 CA ALA A 102 118.120 13.439 2.425 1.00 0.00 C ATOM 1692 C ALA A 102 117.184 12.502 3.190 1.00 0.00 C ATOM 1693 O ALA A 102 116.088 12.209 2.753 1.00 0.00 O ATOM 1694 CB ALA A 102 119.268 12.655 1.790 1.00 0.00 C ATOM 0 H ALA A 102 119.779 14.243 3.499 1.00 0.00 H new ATOM 0 HA ALA A 102 117.514 13.950 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.866 11.932 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.934 13.343 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.823 12.130 2.567 1.00 0.00 H new ATOM 1700 N VAL A 103 117.608 12.032 4.329 1.00 0.00 N ATOM 1701 CA VAL A 103 116.743 11.116 5.127 1.00 0.00 C ATOM 1702 C VAL A 103 115.609 11.909 5.778 1.00 0.00 C ATOM 1703 O VAL A 103 114.530 11.396 6.008 1.00 0.00 O ATOM 1704 CB VAL A 103 117.661 10.520 6.197 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.008 9.273 6.793 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.003 10.138 5.569 1.00 0.00 C ATOM 0 H VAL A 103 118.516 12.242 4.743 1.00 0.00 H new ATOM 0 HA VAL A 103 116.286 10.341 4.512 1.00 0.00 H new ATOM 0 HB VAL A 103 117.825 11.258 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.662 8.849 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.053 9.543 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.843 8.537 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.655 9.714 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.840 9.402 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.472 11.026 5.144 1.00 0.00 H new ATOM 1716 N GLN A 104 115.846 13.156 6.076 1.00 0.00 N ATOM 1717 CA GLN A 104 114.786 13.985 6.712 1.00 0.00 C ATOM 1718 C GLN A 104 113.843 14.548 5.645 1.00 0.00 C ATOM 1719 O GLN A 104 112.728 14.936 5.931 1.00 0.00 O ATOM 1720 CB GLN A 104 115.538 15.117 7.413 1.00 0.00 C ATOM 1721 CG GLN A 104 116.369 14.545 8.563 1.00 0.00 C ATOM 1722 CD GLN A 104 116.244 15.456 9.786 1.00 0.00 C ATOM 1723 OE1 GLN A 104 115.455 15.196 10.674 1.00 0.00 O ATOM 1724 NE2 GLN A 104 116.992 16.521 9.870 1.00 0.00 N ATOM 0 H GLN A 104 116.729 13.637 5.906 1.00 0.00 H new ATOM 0 HA GLN A 104 114.173 13.410 7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.186 15.631 6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.832 15.856 7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.026 13.540 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.414 14.461 8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 104 117.654 16.739 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 104 116.915 17.136 10.680 1.00 0.00 H new ATOM 1733 N THR A 105 114.282 14.595 4.417 1.00 0.00 N ATOM 1734 CA THR A 105 113.408 15.134 3.336 1.00 0.00 C ATOM 1735 C THR A 105 112.286 14.141 3.019 1.00 0.00 C ATOM 1736 O THR A 105 111.270 14.497 2.455 1.00 0.00 O ATOM 1737 CB THR A 105 114.331 15.309 2.127 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.689 16.129 1.160 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.643 13.943 1.515 1.00 0.00 C ATOM 0 H THR A 105 115.206 14.284 4.116 1.00 0.00 H new ATOM 0 HA THR A 105 112.930 16.072 3.620 1.00 0.00 H new ATOM 0 HB THR A 105 115.261 15.780 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.278 16.244 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.300 14.071 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.136 13.316 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.716 13.467 1.196 1.00 0.00 H new ATOM 1747 N LEU A 106 112.461 12.898 3.380 1.00 0.00 N ATOM 1748 CA LEU A 106 111.402 11.888 3.099 1.00 0.00 C ATOM 1749 C LEU A 106 110.132 12.232 3.881 1.00 0.00 C ATOM 1750 O LEU A 106 109.031 12.102 3.384 1.00 0.00 O ATOM 1751 CB LEU A 106 111.984 10.553 3.574 1.00 0.00 C ATOM 1752 CG LEU A 106 112.812 9.923 2.449 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.278 8.527 2.870 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.953 9.807 1.187 1.00 0.00 C ATOM 0 H LEU A 106 113.289 12.540 3.856 1.00 0.00 H new ATOM 0 HA LEU A 106 111.129 11.856 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.608 10.709 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.180 9.879 3.869 1.00 0.00 H new ATOM 0 HG LEU A 106 113.680 10.551 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.866 8.082 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.890 8.603 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.410 7.900 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.541 9.359 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.085 9.181 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.620 10.799 0.881 1.00 0.00 H new ATOM 1766 N LYS A 107 110.277 12.673 5.102 1.00 0.00 N ATOM 1767 CA LYS A 107 109.074 13.027 5.912 1.00 0.00 C ATOM 1768 C LYS A 107 108.184 14.001 5.136 1.00 0.00 C ATOM 1769 O LYS A 107 106.990 14.071 5.352 1.00 0.00 O ATOM 1770 CB LYS A 107 109.624 13.690 7.177 1.00 0.00 C ATOM 1771 CG LYS A 107 110.233 15.048 6.824 1.00 0.00 C ATOM 1772 CD LYS A 107 109.285 16.163 7.269 1.00 0.00 C ATOM 1773 CE LYS A 107 110.008 17.084 8.254 1.00 0.00 C ATOM 1774 NZ LYS A 107 109.375 18.419 8.064 1.00 0.00 N ATOM 0 H LYS A 107 111.173 12.803 5.573 1.00 0.00 H new ATOM 0 HA LYS A 107 108.463 12.155 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 107 108.826 13.818 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.378 13.051 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 107 111.201 15.162 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 107 110.408 15.112 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 107 108.945 16.733 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 107 108.398 15.736 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 107 109.893 16.734 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 107 111.078 17.121 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 109.817 19.107 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 109.507 18.729 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.358 18.354 8.273 1.00 0.00 H new ATOM 1987 N VAL A 121 102.511 8.042 5.379 1.00 0.00 N ATOM 1988 CA VAL A 121 103.108 8.250 6.728 1.00 0.00 C ATOM 1989 C VAL A 121 104.103 7.132 7.044 1.00 0.00 C ATOM 1990 O VAL A 121 105.178 7.370 7.554 1.00 0.00 O ATOM 1991 CB VAL A 121 101.918 8.209 7.692 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.505 6.760 7.960 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.309 8.881 9.009 1.00 0.00 C ATOM 0 HA VAL A 121 103.659 9.188 6.801 1.00 0.00 H new ATOM 0 HB VAL A 121 101.078 8.739 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.658 6.744 8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.221 6.283 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.341 6.219 8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.464 8.853 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.154 8.352 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.589 9.917 8.820 1.00 0.00 H new ATOM 2003 N ASN A 122 103.743 5.915 6.746 1.00 0.00 N ATOM 2004 CA ASN A 122 104.656 4.767 7.026 1.00 0.00 C ATOM 2005 C ASN A 122 106.108 5.145 6.717 1.00 0.00 C ATOM 2006 O ASN A 122 107.011 4.850 7.472 1.00 0.00 O ATOM 2007 CB ASN A 122 104.185 3.654 6.089 1.00 0.00 C ATOM 2008 CG ASN A 122 103.790 2.426 6.912 1.00 0.00 C ATOM 2009 OD1 ASN A 122 102.753 2.412 7.545 1.00 0.00 O ATOM 2010 ND2 ASN A 122 104.579 1.386 6.928 1.00 0.00 N ATOM 0 H ASN A 122 102.852 5.663 6.318 1.00 0.00 H new ATOM 0 HA ASN A 122 104.626 4.466 8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.336 3.997 5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 122 104.978 3.395 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 122 104.325 0.561 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 122 105.449 1.398 6.396 1.00 0.00 H new ATOM 2017 N VAL A 123 106.335 5.796 5.609 1.00 0.00 N ATOM 2018 CA VAL A 123 107.726 6.192 5.245 1.00 0.00 C ATOM 2019 C VAL A 123 108.146 7.441 6.035 1.00 0.00 C ATOM 2020 O VAL A 123 109.212 7.492 6.611 1.00 0.00 O ATOM 2021 CB VAL A 123 107.657 6.472 3.734 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.572 7.641 3.349 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.098 5.219 2.971 1.00 0.00 C ATOM 0 H VAL A 123 105.617 6.071 4.939 1.00 0.00 H new ATOM 0 HA VAL A 123 108.465 5.426 5.480 1.00 0.00 H new ATOM 0 HB VAL A 123 106.631 6.734 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.504 7.818 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.261 8.538 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.602 7.399 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.051 5.411 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.120 4.964 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.436 4.389 3.220 1.00 0.00 H new ATOM 2033 N ARG A 124 107.319 8.447 6.053 1.00 0.00 N ATOM 2034 CA ARG A 124 107.672 9.696 6.790 1.00 0.00 C ATOM 2035 C ARG A 124 108.274 9.378 8.163 1.00 0.00 C ATOM 2036 O ARG A 124 109.318 9.883 8.525 1.00 0.00 O ATOM 2037 CB ARG A 124 106.349 10.444 6.948 1.00 0.00 C ATOM 2038 CG ARG A 124 106.565 11.693 7.805 1.00 0.00 C ATOM 2039 CD ARG A 124 105.884 11.506 9.163 1.00 0.00 C ATOM 2040 NE ARG A 124 104.561 12.173 9.022 1.00 0.00 N ATOM 2041 CZ ARG A 124 104.497 13.458 8.800 1.00 0.00 C ATOM 2042 NH1 ARG A 124 105.108 14.291 9.597 1.00 0.00 N ATOM 2043 NH2 ARG A 124 103.824 13.910 7.777 1.00 0.00 N ATOM 0 H ARG A 124 106.411 8.461 5.589 1.00 0.00 H new ATOM 0 HA ARG A 124 108.421 10.281 6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.959 10.725 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.606 9.796 7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.631 11.872 7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.157 12.568 7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.770 10.450 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 124 106.470 11.956 9.964 1.00 0.00 H new ATOM 0 HE ARG A 124 103.704 11.626 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 124 105.637 13.939 10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 124 105.057 15.295 9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.349 13.259 7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 124 103.774 14.914 7.603 1.00 0.00 H new ATOM 2057 N GLU A 125 107.617 8.562 8.932 1.00 0.00 N ATOM 2058 CA GLU A 125 108.139 8.227 10.292 1.00 0.00 C ATOM 2059 C GLU A 125 109.359 7.304 10.205 1.00 0.00 C ATOM 2060 O GLU A 125 110.262 7.386 11.012 1.00 0.00 O ATOM 2061 CB GLU A 125 106.979 7.518 10.995 1.00 0.00 C ATOM 2062 CG GLU A 125 106.809 6.113 10.414 1.00 0.00 C ATOM 2063 CD GLU A 125 105.488 5.516 10.900 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.204 5.638 12.080 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.782 4.947 10.083 1.00 0.00 O ATOM 0 H GLU A 125 106.738 8.109 8.682 1.00 0.00 H new ATOM 0 HA GLU A 125 108.468 9.117 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 125 107.171 7.459 12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 125 106.059 8.089 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.823 6.154 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 125 107.641 5.479 10.719 1.00 0.00 H new ATOM 2072 N LYS A 126 109.396 6.424 9.244 1.00 0.00 N ATOM 2073 CA LYS A 126 110.566 5.504 9.130 1.00 0.00 C ATOM 2074 C LYS A 126 111.858 6.307 8.959 1.00 0.00 C ATOM 2075 O LYS A 126 112.805 6.145 9.703 1.00 0.00 O ATOM 2076 CB LYS A 126 110.292 4.662 7.884 1.00 0.00 C ATOM 2077 CG LYS A 126 110.894 3.268 8.068 1.00 0.00 C ATOM 2078 CD LYS A 126 112.337 3.394 8.559 1.00 0.00 C ATOM 2079 CE LYS A 126 112.958 2.000 8.684 1.00 0.00 C ATOM 2080 NZ LYS A 126 113.938 2.113 9.801 1.00 0.00 N ATOM 0 H LYS A 126 108.672 6.301 8.536 1.00 0.00 H new ATOM 0 HA LYS A 126 110.691 4.887 10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.218 4.586 7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.722 5.143 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.304 2.697 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 126 110.866 2.721 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 126 112.917 4.001 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 126 112.361 3.902 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.199 1.248 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.448 1.702 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 114.405 1.195 9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 114.652 2.831 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 113.442 2.391 10.672 1.00 0.00 H new ATOM 2094 N ALA A 127 111.903 7.168 7.983 1.00 0.00 N ATOM 2095 CA ALA A 127 113.131 7.982 7.755 1.00 0.00 C ATOM 2096 C ALA A 127 113.448 8.832 8.990 1.00 0.00 C ATOM 2097 O ALA A 127 114.586 8.944 9.401 1.00 0.00 O ATOM 2098 CB ALA A 127 112.790 8.879 6.565 1.00 0.00 C ATOM 0 H ALA A 127 111.140 7.345 7.330 1.00 0.00 H new ATOM 0 HA ALA A 127 114.007 7.361 7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.645 9.513 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.549 8.260 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.932 9.504 6.814 1.00 0.00 H new ATOM 2104 N LYS A 128 112.453 9.434 9.581 1.00 0.00 N ATOM 2105 CA LYS A 128 112.704 10.278 10.785 1.00 0.00 C ATOM 2106 C LYS A 128 113.317 9.438 11.910 1.00 0.00 C ATOM 2107 O LYS A 128 114.132 9.911 12.677 1.00 0.00 O ATOM 2108 CB LYS A 128 111.327 10.797 11.196 1.00 0.00 C ATOM 2109 CG LYS A 128 111.487 11.870 12.275 1.00 0.00 C ATOM 2110 CD LYS A 128 110.229 11.911 13.144 1.00 0.00 C ATOM 2111 CE LYS A 128 110.475 12.809 14.359 1.00 0.00 C ATOM 2112 NZ LYS A 128 109.764 14.081 14.046 1.00 0.00 N ATOM 0 H LYS A 128 111.479 9.379 9.284 1.00 0.00 H new ATOM 0 HA LYS A 128 113.404 11.088 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.809 11.211 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.715 9.977 11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.360 11.654 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 128 111.655 12.843 11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.386 12.288 12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 128 109.967 10.904 13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 128 110.088 12.354 15.271 1.00 0.00 H new ATOM 0 HE3 LYS A 128 111.540 12.980 14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 109.886 14.750 14.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 110.158 14.494 13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 108.751 13.888 13.909 1.00 0.00 H new ATOM 2126 N GLN A 129 112.927 8.199 12.016 1.00 0.00 N ATOM 2127 CA GLN A 129 113.482 7.331 13.095 1.00 0.00 C ATOM 2128 C GLN A 129 114.979 7.101 12.880 1.00 0.00 C ATOM 2129 O GLN A 129 115.760 7.149 13.808 1.00 0.00 O ATOM 2130 CB GLN A 129 112.714 6.014 12.979 1.00 0.00 C ATOM 2131 CG GLN A 129 111.735 5.889 14.148 1.00 0.00 C ATOM 2132 CD GLN A 129 111.704 4.439 14.635 1.00 0.00 C ATOM 2133 OE1 GLN A 129 111.620 3.522 13.844 1.00 0.00 O ATOM 2134 NE2 GLN A 129 111.768 4.194 15.915 1.00 0.00 N ATOM 0 H GLN A 129 112.248 7.748 11.403 1.00 0.00 H new ATOM 0 HA GLN A 129 113.373 7.782 14.081 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.174 5.978 12.033 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.409 5.174 12.981 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.036 6.550 14.961 1.00 0.00 H new ATOM 0 HG3 GLN A 129 110.738 6.200 13.836 1.00 0.00 H new ATOM 0 HE21 GLN A 129 111.839 4.965 16.579 1.00 0.00 H new ATOM 0 HE22 GLN A 129 111.747 3.231 16.252 1.00 0.00 H new ATOM 2143 N LEU A 130 115.390 6.850 11.667 1.00 0.00 N ATOM 2144 CA LEU A 130 116.842 6.619 11.412 1.00 0.00 C ATOM 2145 C LEU A 130 117.651 7.834 11.866 1.00 0.00 C ATOM 2146 O LEU A 130 118.552 7.727 12.674 1.00 0.00 O ATOM 2147 CB LEU A 130 116.961 6.426 9.900 1.00 0.00 C ATOM 2148 CG LEU A 130 118.064 5.407 9.607 1.00 0.00 C ATOM 2149 CD1 LEU A 130 117.624 4.489 8.466 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.342 6.143 9.201 1.00 0.00 C ATOM 0 H LEU A 130 114.788 6.795 10.845 1.00 0.00 H new ATOM 0 HA LEU A 130 117.225 5.757 11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.012 6.080 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 130 117.190 7.376 9.417 1.00 0.00 H new ATOM 0 HG LEU A 130 118.253 4.811 10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 130 118.411 3.764 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 130 116.713 3.964 8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.434 5.084 7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.129 5.418 8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.151 6.739 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.658 6.798 10.013 1.00 0.00 H new ATOM 2162 N VAL A 131 117.330 8.987 11.356 1.00 0.00 N ATOM 2163 CA VAL A 131 118.073 10.215 11.759 1.00 0.00 C ATOM 2164 C VAL A 131 118.065 10.350 13.283 1.00 0.00 C ATOM 2165 O VAL A 131 118.918 10.989 13.866 1.00 0.00 O ATOM 2166 CB VAL A 131 117.305 11.370 11.119 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.826 12.697 11.673 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.507 11.335 9.603 1.00 0.00 C ATOM 0 H VAL A 131 116.584 9.135 10.676 1.00 0.00 H new ATOM 0 HA VAL A 131 119.115 10.194 11.441 1.00 0.00 H new ATOM 0 HB VAL A 131 116.244 11.274 11.347 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.279 13.522 11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.684 12.721 12.753 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.887 12.795 11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.960 12.158 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.568 11.433 9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 131 117.137 10.389 9.208 1.00 0.00 H new ATOM 2178 N ALA A 132 117.103 9.751 13.929 1.00 0.00 N ATOM 2179 CA ALA A 132 117.028 9.842 15.416 1.00 0.00 C ATOM 2180 C ALA A 132 118.071 8.922 16.064 1.00 0.00 C ATOM 2181 O ALA A 132 118.891 9.355 16.848 1.00 0.00 O ATOM 2182 CB ALA A 132 115.613 9.376 15.766 1.00 0.00 C ATOM 0 H ALA A 132 116.364 9.201 13.491 1.00 0.00 H new ATOM 0 HA ALA A 132 117.231 10.850 15.777 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.475 9.413 16.847 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.885 10.029 15.284 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.470 8.354 15.417 1.00 0.00 H new ATOM 2188 N LEU A 133 118.039 7.658 15.745 1.00 0.00 N ATOM 2189 CA LEU A 133 119.020 6.707 16.346 1.00 0.00 C ATOM 2190 C LEU A 133 120.452 7.212 16.145 1.00 0.00 C ATOM 2191 O LEU A 133 121.313 7.010 16.978 1.00 0.00 O ATOM 2192 CB LEU A 133 118.805 5.393 15.592 1.00 0.00 C ATOM 2193 CG LEU A 133 118.372 4.304 16.574 1.00 0.00 C ATOM 2194 CD1 LEU A 133 117.772 3.127 15.802 1.00 0.00 C ATOM 2195 CD2 LEU A 133 119.589 3.822 17.368 1.00 0.00 C ATOM 0 H LEU A 133 117.375 7.240 15.093 1.00 0.00 H new ATOM 0 HA LEU A 133 118.876 6.594 17.421 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.046 5.524 14.821 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.724 5.097 15.087 1.00 0.00 H new ATOM 0 HG LEU A 133 117.626 4.709 17.258 1.00 0.00 H new ATOM 0 HD11 LEU A 133 117.464 2.351 16.503 1.00 0.00 H new ATOM 0 HD12 LEU A 133 116.906 3.468 15.234 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.518 2.722 15.118 1.00 0.00 H new ATOM 0 HD21 LEU A 133 119.282 3.046 18.069 1.00 0.00 H new ATOM 0 HD22 LEU A 133 120.334 3.418 16.682 1.00 0.00 H new ATOM 0 HD23 LEU A 133 120.019 4.659 17.919 1.00 0.00 H new ATOM 2207 N LEU A 134 120.716 7.860 15.044 1.00 0.00 N ATOM 2208 CA LEU A 134 122.095 8.369 14.793 1.00 0.00 C ATOM 2209 C LEU A 134 122.334 9.670 15.565 1.00 0.00 C ATOM 2210 O LEU A 134 123.230 9.762 16.379 1.00 0.00 O ATOM 2211 CB LEU A 134 122.155 8.620 13.287 1.00 0.00 C ATOM 2212 CG LEU A 134 122.810 7.423 12.597 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.780 6.710 11.721 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.970 7.910 11.726 1.00 0.00 C ATOM 0 H LEU A 134 120.038 8.059 14.308 1.00 0.00 H new ATOM 0 HA LEU A 134 122.859 7.665 15.121 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.151 8.776 12.893 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.722 9.528 13.081 1.00 0.00 H new ATOM 0 HG LEU A 134 123.185 6.731 13.351 1.00 0.00 H new ATOM 0 HD11 LEU A 134 122.248 5.857 11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.953 6.363 12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.403 7.401 10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 134 124.438 7.058 11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.594 8.603 10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.706 8.417 12.350 1.00 0.00 H new