USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1309 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: B 38 SER OG : rot 64:sc= -0.355 USER MOD Set 1.2: B 112 LYS NZ :NH3+ 171:sc= 1.34 (180deg=1.12) USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0.024 K(o=-0.19,f=-1.3) USER MOD Set 2.2: B 60 CYS SG : rot -121:sc= 0.0268 USER MOD Set 2.3: B 97 MET CE :methyl -155:sc= -0.245 (180deg=-0.426) USER MOD Set 3.1: A 56 HIS : no HD1:sc= -0.175 K(o=-0.46,f=-1.1) USER MOD Set 3.2: A 60 CYS SG : rot 160:sc= 0 USER MOD Set 3.3: A 97 MET CE :methyl 171:sc= -0.281 (180deg=-0.692) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.232 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.805 F(o=-2.1!,f=-0.81) USER MOD Single : A 46 TYR OH : rot 61:sc= 1.29 USER MOD Single : A 48 SER OG : rot 128:sc= -1.19 USER MOD Single : A 49 THR OG1 : rot -72:sc= 1.27 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 44:sc= 0.818 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00449 USER MOD Single : A 62 SER OG : rot 63:sc= 0.574 USER MOD Single : A 64 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3.4!) USER MOD Single : A 67 THR OG1 : rot 169:sc= -2.36! USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0.68 (180deg=0.638) USER MOD Single : A 74 SER OG : rot -29:sc= 0.429 USER MOD Single : A 76 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.026) USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= 0.937 (180deg=-0.313) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -12:sc= -1.89! USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 90 SER OG : rot -80:sc= -1.78! USER MOD Single : A 100 THR OG1 : rot -92:sc= 1.28 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.07) USER MOD Single : A 112 LYS NZ :NH3+ -139:sc= -0.96 (180deg=-2.47!) USER MOD Single : B 24 GLN : amide:sc= 0.925 K(o=0.92,f=-7.7!) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= -0.141 K(o=-0.14,f=-5.8!) USER MOD Single : B 46 TYR OH : rot -130:sc= -2.1! USER MOD Single : B 48 SER OG : rot 170:sc= -1.13 USER MOD Single : B 49 THR OG1 : rot -79:sc= 1.11 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 SER OG : rot 46:sc= 1.25 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -2.04! C(o=-2!,f=-2.3!) USER MOD Single : B 67 THR OG1 : rot 162:sc= -2.54! USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 168:sc= 0.208 (180deg=-0.0884!) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 HIS : no HD1:sc=-0.00337 X(o=-0.0034,f=-0.0046) USER MOD Single : B 78 LYS NZ :NH3+ -114:sc= 0.757 (180deg=0.313) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot -76:sc= 0.0802 USER MOD Single : B 89 ASN : amide:sc=-0.00513 K(o=-0.0051,f=-1.6) USER MOD Single : B 90 SER OG : rot 180:sc= -0.161 USER MOD Single : B 100 THR OG1 : rot 180:sc= 0.105 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 149:sc= 1.09 (180deg=0.201!) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -15.277 10.261 8.333 1.00 3.55 N ATOM 469 CA GLU A 33 -15.937 10.301 7.048 1.00 74.23 C ATOM 470 C GLU A 33 -15.326 9.366 6.015 1.00 22.53 C ATOM 471 O GLU A 33 -16.051 8.685 5.297 1.00 61.24 O ATOM 472 CB GLU A 33 -16.071 11.721 6.536 1.00 23.23 C ATOM 473 CG GLU A 33 -16.736 12.611 7.558 1.00 73.02 C ATOM 474 CD GLU A 33 -17.346 13.828 6.990 1.00 1.52 C ATOM 475 OE1 GLU A 33 -18.439 13.738 6.388 1.00 53.11 O ATOM 476 OE2 GLU A 33 -16.770 14.896 7.129 1.00 62.42 O ATOM 0 HA GLU A 33 -16.943 9.916 7.215 1.00 74.23 H new ATOM 0 HB2 GLU A 33 -15.085 12.117 6.292 1.00 23.23 H new ATOM 0 HB3 GLU A 33 -16.653 11.724 5.614 1.00 23.23 H new ATOM 0 HG2 GLU A 33 -17.506 12.039 8.076 1.00 73.02 H new ATOM 0 HG3 GLU A 33 -15.998 12.902 8.306 1.00 73.02 H new ATOM 483 N ILE A 34 -14.000 9.311 5.964 1.00 3.42 N ATOM 484 CA ILE A 34 -13.307 8.459 4.988 1.00 11.22 C ATOM 485 C ILE A 34 -13.493 6.985 5.306 1.00 10.23 C ATOM 486 O ILE A 34 -13.585 6.155 4.406 1.00 75.34 O ATOM 487 CB ILE A 34 -11.803 8.812 4.769 1.00 54.41 C ATOM 488 CG1 ILE A 34 -11.014 8.750 6.082 1.00 44.43 C ATOM 489 CG2 ILE A 34 -11.673 10.189 4.120 1.00 11.55 C ATOM 490 CD1 ILE A 34 -9.548 9.120 5.950 1.00 61.14 C ATOM 0 H ILE A 34 -13.382 9.840 6.579 1.00 3.42 H new ATOM 0 HA ILE A 34 -13.788 8.673 4.034 1.00 11.22 H new ATOM 0 HB ILE A 34 -11.376 8.067 4.098 1.00 54.41 H new ATOM 0 HG12 ILE A 34 -11.481 9.419 6.805 1.00 44.43 H new ATOM 0 HG13 ILE A 34 -11.087 7.741 6.488 1.00 44.43 H new ATOM 0 HG21 ILE A 34 -10.619 10.424 3.973 1.00 11.55 H new ATOM 0 HG22 ILE A 34 -12.183 10.187 3.156 1.00 11.55 H new ATOM 0 HG23 ILE A 34 -12.125 10.941 4.767 1.00 11.55 H new ATOM 0 HD11 ILE A 34 -9.066 9.050 6.925 1.00 61.14 H new ATOM 0 HD12 ILE A 34 -9.061 8.436 5.254 1.00 61.14 H new ATOM 0 HD13 ILE A 34 -9.462 10.140 5.576 1.00 61.14 H new ATOM 502 N ASP A 35 -13.563 6.682 6.591 1.00 65.32 N ATOM 503 CA ASP A 35 -13.753 5.319 7.080 1.00 52.01 C ATOM 504 C ASP A 35 -15.086 4.739 6.617 1.00 40.23 C ATOM 505 O ASP A 35 -15.139 3.605 6.220 1.00 13.43 O ATOM 506 CB ASP A 35 -13.659 5.296 8.617 1.00 23.43 C ATOM 507 CG ASP A 35 -13.983 3.951 9.260 1.00 54.21 C ATOM 508 OD1 ASP A 35 -13.069 3.120 9.459 1.00 72.22 O ATOM 509 OD2 ASP A 35 -15.165 3.733 9.637 1.00 63.30 O ATOM 0 H ASP A 35 -13.489 7.378 7.333 1.00 65.32 H new ATOM 0 HA ASP A 35 -12.962 4.695 6.663 1.00 52.01 H new ATOM 0 HB2 ASP A 35 -12.650 5.588 8.909 1.00 23.43 H new ATOM 0 HB3 ASP A 35 -14.338 6.048 9.019 1.00 23.43 H new ATOM 514 N LYS A 36 -16.146 5.574 6.596 1.00 31.41 N ATOM 515 CA LYS A 36 -17.522 5.091 6.264 1.00 13.14 C ATOM 516 C LYS A 36 -17.634 4.725 4.802 1.00 3.42 C ATOM 517 O LYS A 36 -18.594 4.080 4.393 1.00 22.22 O ATOM 518 CB LYS A 36 -18.593 6.166 6.471 1.00 53.32 C ATOM 519 CG LYS A 36 -18.457 7.024 7.668 1.00 32.01 C ATOM 520 CD LYS A 36 -19.634 7.973 7.775 1.00 33.11 C ATOM 521 CE LYS A 36 -19.619 8.711 9.084 1.00 33.45 C ATOM 522 NZ LYS A 36 -20.804 9.575 9.239 1.00 63.33 N ATOM 0 H LYS A 36 -16.088 6.572 6.800 1.00 31.41 H new ATOM 0 HA LYS A 36 -17.681 4.241 6.927 1.00 13.14 H new ATOM 0 HB2 LYS A 36 -18.602 6.810 5.591 1.00 53.32 H new ATOM 0 HB3 LYS A 36 -19.564 5.673 6.515 1.00 53.32 H new ATOM 0 HG2 LYS A 36 -18.399 6.404 8.563 1.00 32.01 H new ATOM 0 HG3 LYS A 36 -17.528 7.592 7.613 1.00 32.01 H new ATOM 0 HD2 LYS A 36 -19.605 8.687 6.952 1.00 33.11 H new ATOM 0 HD3 LYS A 36 -20.565 7.414 7.680 1.00 33.11 H new ATOM 0 HE2 LYS A 36 -19.582 7.995 9.905 1.00 33.45 H new ATOM 0 HE3 LYS A 36 -18.716 9.318 9.149 1.00 33.45 H new ATOM 0 HZ1 LYS A 36 -20.757 10.067 10.154 1.00 63.33 H new ATOM 0 HZ2 LYS A 36 -20.826 10.275 8.470 1.00 63.33 H new ATOM 0 HZ3 LYS A 36 -21.665 8.993 9.202 1.00 63.33 H new ATOM 536 N ARG A 37 -16.689 5.174 4.023 1.00 4.43 N ATOM 537 CA ARG A 37 -16.741 5.026 2.596 1.00 74.03 C ATOM 538 C ARG A 37 -15.646 4.090 2.065 1.00 63.30 C ATOM 539 O ARG A 37 -15.362 4.066 0.869 1.00 22.05 O ATOM 540 CB ARG A 37 -16.740 6.433 1.929 1.00 2.44 C ATOM 541 CG ARG A 37 -15.663 7.359 2.452 1.00 4.11 C ATOM 542 CD ARG A 37 -15.716 8.766 1.881 1.00 70.43 C ATOM 543 NE ARG A 37 -16.933 9.489 2.266 1.00 64.03 N ATOM 544 CZ ARG A 37 -16.971 10.783 2.650 1.00 63.33 C ATOM 545 NH1 ARG A 37 -15.853 11.518 2.693 1.00 53.23 N ATOM 546 NH2 ARG A 37 -18.126 11.337 2.968 1.00 31.24 N ATOM 0 H ARG A 37 -15.857 5.656 4.363 1.00 4.43 H new ATOM 0 HA ARG A 37 -17.674 4.532 2.323 1.00 74.03 H new ATOM 0 HB2 ARG A 37 -16.612 6.314 0.853 1.00 2.44 H new ATOM 0 HB3 ARG A 37 -17.713 6.899 2.085 1.00 2.44 H new ATOM 0 HG2 ARG A 37 -15.746 7.417 3.537 1.00 4.11 H new ATOM 0 HG3 ARG A 37 -14.688 6.926 2.229 1.00 4.11 H new ATOM 0 HD2 ARG A 37 -14.844 9.325 2.221 1.00 70.43 H new ATOM 0 HD3 ARG A 37 -15.658 8.715 0.794 1.00 70.43 H new ATOM 0 HE ARG A 37 -17.815 8.977 2.242 1.00 64.03 H new ATOM 0 HH11 ARG A 37 -14.959 11.102 2.434 1.00 53.23 H new ATOM 0 HH12 ARG A 37 -15.896 12.494 2.985 1.00 53.23 H new ATOM 0 HH21 ARG A 37 -18.984 10.788 2.923 1.00 31.24 H new ATOM 0 HH22 ARG A 37 -18.160 12.314 3.259 1.00 31.24 H new ATOM 560 N SER A 38 -15.060 3.309 2.960 1.00 65.30 N ATOM 561 CA SER A 38 -14.048 2.328 2.590 1.00 4.42 C ATOM 562 C SER A 38 -14.646 0.897 2.495 1.00 1.30 C ATOM 563 O SER A 38 -15.707 0.600 3.059 1.00 34.22 O ATOM 564 CB SER A 38 -12.874 2.365 3.613 1.00 61.53 C ATOM 565 OG SER A 38 -11.861 1.388 3.320 1.00 2.41 O ATOM 0 H SER A 38 -15.270 3.336 3.958 1.00 65.30 H new ATOM 0 HA SER A 38 -13.669 2.589 1.602 1.00 4.42 H new ATOM 0 HB2 SER A 38 -12.427 3.359 3.613 1.00 61.53 H new ATOM 0 HB3 SER A 38 -13.264 2.191 4.616 1.00 61.53 H new ATOM 0 HG SER A 38 -11.145 1.449 3.986 1.00 2.41 H new ATOM 571 N VAL A 39 -13.948 0.030 1.782 1.00 54.41 N ATOM 572 CA VAL A 39 -14.287 -1.383 1.635 1.00 40.11 C ATOM 573 C VAL A 39 -13.039 -2.241 1.686 1.00 51.23 C ATOM 574 O VAL A 39 -11.941 -1.755 1.528 1.00 43.14 O ATOM 575 CB VAL A 39 -15.075 -1.748 0.330 1.00 32.34 C ATOM 576 CG1 VAL A 39 -16.502 -1.311 0.416 1.00 73.34 C ATOM 577 CG2 VAL A 39 -14.449 -1.106 -0.865 1.00 72.30 C ATOM 0 H VAL A 39 -13.104 0.293 1.273 1.00 54.41 H new ATOM 0 HA VAL A 39 -14.952 -1.586 2.475 1.00 40.11 H new ATOM 0 HB VAL A 39 -15.038 -2.833 0.228 1.00 32.34 H new ATOM 0 HG11 VAL A 39 -17.021 -1.579 -0.505 1.00 73.34 H new ATOM 0 HG12 VAL A 39 -16.983 -1.804 1.260 1.00 73.34 H new ATOM 0 HG13 VAL A 39 -16.544 -0.231 0.555 1.00 73.34 H new ATOM 0 HG21 VAL A 39 -15.013 -1.373 -1.759 1.00 72.30 H new ATOM 0 HG22 VAL A 39 -14.456 -0.023 -0.742 1.00 72.30 H new ATOM 0 HG23 VAL A 39 -13.421 -1.453 -0.967 1.00 72.30 H new ATOM 587 N TYR A 40 -13.242 -3.505 1.887 1.00 62.41 N ATOM 588 CA TYR A 40 -12.215 -4.513 1.942 1.00 74.21 C ATOM 589 C TYR A 40 -12.473 -5.499 0.840 1.00 4.31 C ATOM 590 O TYR A 40 -13.562 -5.984 0.709 1.00 1.34 O ATOM 591 CB TYR A 40 -12.239 -5.238 3.310 1.00 33.22 C ATOM 592 CG TYR A 40 -11.557 -6.614 3.314 1.00 74.41 C ATOM 593 CD1 TYR A 40 -10.185 -6.755 3.463 1.00 32.24 C ATOM 594 CD2 TYR A 40 -12.314 -7.773 3.148 1.00 44.44 C ATOM 595 CE1 TYR A 40 -9.593 -8.009 3.446 1.00 44.42 C ATOM 596 CE2 TYR A 40 -11.731 -9.019 3.126 1.00 2.10 C ATOM 597 CZ TYR A 40 -10.374 -9.136 3.277 1.00 22.14 C ATOM 598 OH TYR A 40 -9.794 -10.388 3.243 1.00 34.32 O ATOM 0 H TYR A 40 -14.177 -3.888 2.025 1.00 62.41 H new ATOM 0 HA TYR A 40 -11.235 -4.051 1.821 1.00 74.21 H new ATOM 0 HB2 TYR A 40 -11.753 -4.604 4.052 1.00 33.22 H new ATOM 0 HB3 TYR A 40 -13.276 -5.359 3.624 1.00 33.22 H new ATOM 0 HD1 TYR A 40 -9.570 -5.877 3.594 1.00 32.24 H new ATOM 0 HD2 TYR A 40 -13.385 -7.691 3.034 1.00 44.44 H new ATOM 0 HE1 TYR A 40 -8.524 -8.104 3.565 1.00 44.42 H new ATOM 0 HE2 TYR A 40 -12.340 -9.901 2.990 1.00 2.10 H new ATOM 0 HH TYR A 40 -10.489 -11.067 3.118 1.00 34.32 H new ATOM 608 N VAL A 41 -11.488 -5.755 0.066 1.00 34.13 N ATOM 609 CA VAL A 41 -11.534 -6.687 -1.029 1.00 1.22 C ATOM 610 C VAL A 41 -10.553 -7.811 -0.729 1.00 11.24 C ATOM 611 O VAL A 41 -9.369 -7.567 -0.621 1.00 71.21 O ATOM 612 CB VAL A 41 -11.058 -5.966 -2.303 1.00 22.52 C ATOM 613 CG1 VAL A 41 -11.086 -6.901 -3.510 1.00 53.01 C ATOM 614 CG2 VAL A 41 -11.912 -4.744 -2.562 1.00 40.21 C ATOM 0 H VAL A 41 -10.578 -5.307 0.171 1.00 34.13 H new ATOM 0 HA VAL A 41 -12.544 -7.074 -1.163 1.00 1.22 H new ATOM 0 HB VAL A 41 -10.026 -5.650 -2.148 1.00 22.52 H new ATOM 0 HG11 VAL A 41 -10.745 -6.363 -4.395 1.00 53.01 H new ATOM 0 HG12 VAL A 41 -10.430 -7.752 -3.327 1.00 53.01 H new ATOM 0 HG13 VAL A 41 -12.104 -7.256 -3.672 1.00 53.01 H new ATOM 0 HG21 VAL A 41 -11.565 -4.243 -3.466 1.00 40.21 H new ATOM 0 HG22 VAL A 41 -12.951 -5.047 -2.691 1.00 40.21 H new ATOM 0 HG23 VAL A 41 -11.836 -4.061 -1.716 1.00 40.21 H new ATOM 624 N GLY A 42 -11.024 -9.007 -0.579 1.00 30.32 N ATOM 625 CA GLY A 42 -10.135 -10.091 -0.263 1.00 31.43 C ATOM 626 C GLY A 42 -10.030 -11.125 -1.359 1.00 72.33 C ATOM 627 O GLY A 42 -10.730 -11.043 -2.372 1.00 33.32 O ATOM 0 H GLY A 42 -12.008 -9.262 -0.668 1.00 30.32 H new ATOM 0 HA2 GLY A 42 -9.143 -9.689 -0.058 1.00 31.43 H new ATOM 0 HA3 GLY A 42 -10.477 -10.576 0.651 1.00 31.43 H new ATOM 631 N ASN A 43 -9.150 -12.108 -1.119 1.00 3.11 N ATOM 632 CA ASN A 43 -8.891 -13.279 -2.002 1.00 23.33 C ATOM 633 C ASN A 43 -8.196 -12.899 -3.349 1.00 20.41 C ATOM 634 O ASN A 43 -8.021 -13.733 -4.240 1.00 44.33 O ATOM 635 CB ASN A 43 -10.199 -14.099 -2.202 1.00 72.02 C ATOM 636 CG ASN A 43 -9.985 -15.483 -2.811 1.00 43.15 C ATOM 637 OD1 ASN A 43 -10.138 -15.606 -4.095 1.00 31.14 O flip ATOM 638 ND2 ASN A 43 -9.738 -16.447 -2.094 1.00 42.23 N flip ATOM 0 H ASN A 43 -8.573 -12.120 -0.278 1.00 3.11 H new ATOM 0 HA ASN A 43 -8.167 -13.918 -1.497 1.00 23.33 H new ATOM 0 HB2 ASN A 43 -10.695 -14.212 -1.238 1.00 72.02 H new ATOM 0 HB3 ASN A 43 -10.875 -13.533 -2.843 1.00 72.02 H new ATOM 0 HD21 ASN A 43 -9.623 -16.319 -1.089 1.00 42.23 H new ATOM 0 HD22 ASN A 43 -9.647 -17.377 -2.503 1.00 42.23 H new ATOM 645 N VAL A 44 -7.777 -11.663 -3.462 1.00 40.43 N ATOM 646 CA VAL A 44 -7.045 -11.195 -4.640 1.00 0.42 C ATOM 647 C VAL A 44 -5.535 -11.368 -4.416 1.00 61.33 C ATOM 648 O VAL A 44 -4.903 -10.608 -3.701 1.00 12.33 O ATOM 649 CB VAL A 44 -7.428 -9.719 -5.032 1.00 64.40 C ATOM 650 CG1 VAL A 44 -7.217 -8.733 -3.885 1.00 73.33 C ATOM 651 CG2 VAL A 44 -6.674 -9.273 -6.276 1.00 24.13 C ATOM 0 H VAL A 44 -7.927 -10.947 -2.751 1.00 40.43 H new ATOM 0 HA VAL A 44 -7.336 -11.809 -5.492 1.00 0.42 H new ATOM 0 HB VAL A 44 -8.495 -9.721 -5.254 1.00 64.40 H new ATOM 0 HG11 VAL A 44 -7.497 -7.731 -4.210 1.00 73.33 H new ATOM 0 HG12 VAL A 44 -7.835 -9.025 -3.036 1.00 73.33 H new ATOM 0 HG13 VAL A 44 -6.168 -8.739 -3.589 1.00 73.33 H new ATOM 0 HG21 VAL A 44 -6.956 -8.250 -6.526 1.00 24.13 H new ATOM 0 HG22 VAL A 44 -5.601 -9.317 -6.087 1.00 24.13 H new ATOM 0 HG23 VAL A 44 -6.923 -9.931 -7.108 1.00 24.13 H new ATOM 661 N ASP A 45 -4.968 -12.369 -5.048 1.00 74.55 N ATOM 662 CA ASP A 45 -3.584 -12.738 -4.798 1.00 71.34 C ATOM 663 C ASP A 45 -2.831 -12.526 -6.089 1.00 3.01 C ATOM 664 O ASP A 45 -2.953 -13.364 -6.995 1.00 50.32 O ATOM 665 CB ASP A 45 -3.470 -14.250 -4.424 1.00 33.21 C ATOM 666 CG ASP A 45 -4.388 -14.748 -3.298 1.00 74.22 C ATOM 667 OD1 ASP A 45 -4.695 -14.006 -2.359 1.00 4.12 O ATOM 668 OD2 ASP A 45 -4.800 -15.944 -3.342 1.00 75.12 O ATOM 0 H ASP A 45 -5.441 -12.947 -5.742 1.00 74.55 H new ATOM 0 HA ASP A 45 -3.188 -12.140 -3.977 1.00 71.34 H new ATOM 0 HB2 ASP A 45 -3.676 -14.839 -5.318 1.00 33.21 H new ATOM 0 HB3 ASP A 45 -2.438 -14.454 -4.138 1.00 33.21 H new ATOM 673 N TYR A 46 -2.047 -11.425 -6.211 1.00 31.52 N ATOM 674 CA TYR A 46 -1.401 -11.053 -7.495 1.00 23.14 C ATOM 675 C TYR A 46 -2.349 -11.047 -8.713 1.00 13.24 C ATOM 676 O TYR A 46 -3.570 -11.189 -8.586 1.00 1.23 O ATOM 677 CB TYR A 46 -0.075 -11.821 -7.766 1.00 5.21 C ATOM 678 CG TYR A 46 1.169 -11.194 -7.111 1.00 20.32 C ATOM 679 CD1 TYR A 46 1.480 -11.391 -5.769 1.00 1.41 C ATOM 680 CD2 TYR A 46 2.031 -10.385 -7.865 1.00 54.03 C ATOM 681 CE1 TYR A 46 2.615 -10.798 -5.201 1.00 31.43 C ATOM 682 CE2 TYR A 46 3.156 -9.798 -7.295 1.00 13.35 C ATOM 683 CZ TYR A 46 3.437 -10.005 -5.980 1.00 10.41 C ATOM 684 OH TYR A 46 4.546 -9.409 -5.438 1.00 24.00 O ATOM 0 H TYR A 46 -1.848 -10.784 -5.443 1.00 31.52 H new ATOM 0 HA TYR A 46 -1.123 -10.008 -7.356 1.00 23.14 H new ATOM 0 HB2 TYR A 46 -0.182 -12.845 -7.407 1.00 5.21 H new ATOM 0 HB3 TYR A 46 0.085 -11.876 -8.843 1.00 5.21 H new ATOM 0 HD1 TYR A 46 0.839 -12.009 -5.158 1.00 1.41 H new ATOM 0 HD2 TYR A 46 1.817 -10.214 -8.910 1.00 54.03 H new ATOM 0 HE1 TYR A 46 2.847 -10.960 -4.159 1.00 31.43 H new ATOM 0 HE2 TYR A 46 3.806 -9.179 -7.896 1.00 13.35 H new ATOM 0 HH TYR A 46 5.155 -10.098 -5.099 1.00 24.00 H new ATOM 694 N GLY A 47 -1.788 -10.805 -9.883 1.00 25.20 N ATOM 695 CA GLY A 47 -2.580 -10.771 -11.093 1.00 41.12 C ATOM 696 C GLY A 47 -3.251 -9.431 -11.292 1.00 4.23 C ATOM 697 O GLY A 47 -3.042 -8.768 -12.314 1.00 45.52 O ATOM 0 H GLY A 47 -0.792 -10.630 -10.019 1.00 25.20 H new ATOM 0 HA2 GLY A 47 -1.942 -10.988 -11.950 1.00 41.12 H new ATOM 0 HA3 GLY A 47 -3.338 -11.554 -11.053 1.00 41.12 H new ATOM 701 N SER A 48 -4.025 -9.022 -10.319 1.00 11.33 N ATOM 702 CA SER A 48 -4.722 -7.783 -10.386 1.00 31.21 C ATOM 703 C SER A 48 -3.823 -6.646 -9.887 1.00 23.12 C ATOM 704 O SER A 48 -3.008 -6.829 -8.972 1.00 61.10 O ATOM 705 CB SER A 48 -5.986 -7.894 -9.561 1.00 12.53 C ATOM 706 OG SER A 48 -6.762 -8.990 -10.026 1.00 3.14 O ATOM 0 H SER A 48 -4.184 -9.548 -9.459 1.00 11.33 H new ATOM 0 HA SER A 48 -4.993 -7.556 -11.417 1.00 31.21 H new ATOM 0 HB2 SER A 48 -5.735 -8.033 -8.509 1.00 12.53 H new ATOM 0 HB3 SER A 48 -6.562 -6.971 -9.632 1.00 12.53 H new ATOM 0 HG SER A 48 -6.990 -9.573 -9.272 1.00 3.14 H new ATOM 712 N THR A 49 -3.945 -5.502 -10.509 1.00 35.31 N ATOM 713 CA THR A 49 -3.160 -4.348 -10.162 1.00 73.55 C ATOM 714 C THR A 49 -4.074 -3.268 -9.622 1.00 2.31 C ATOM 715 O THR A 49 -5.295 -3.466 -9.573 1.00 40.31 O ATOM 716 CB THR A 49 -2.408 -3.811 -11.395 1.00 45.20 C ATOM 717 OG1 THR A 49 -3.347 -3.377 -12.393 1.00 24.14 O ATOM 718 CG2 THR A 49 -1.520 -4.893 -11.982 1.00 45.32 C ATOM 0 H THR A 49 -4.598 -5.345 -11.277 1.00 35.31 H new ATOM 0 HA THR A 49 -2.429 -4.634 -9.405 1.00 73.55 H new ATOM 0 HB THR A 49 -1.791 -2.968 -11.083 1.00 45.20 H new ATOM 0 HG1 THR A 49 -3.774 -4.158 -12.802 1.00 24.14 H new ATOM 0 HG21 THR A 49 -0.995 -4.500 -12.852 1.00 45.32 H new ATOM 0 HG22 THR A 49 -0.794 -5.214 -11.234 1.00 45.32 H new ATOM 0 HG23 THR A 49 -2.132 -5.744 -12.281 1.00 45.32 H new ATOM 726 N ALA A 50 -3.506 -2.126 -9.225 1.00 53.14 N ATOM 727 CA ALA A 50 -4.287 -1.009 -8.730 1.00 24.52 C ATOM 728 C ALA A 50 -5.280 -0.558 -9.800 1.00 54.40 C ATOM 729 O ALA A 50 -6.440 -0.303 -9.518 1.00 21.23 O ATOM 730 CB ALA A 50 -3.339 0.129 -8.364 1.00 64.23 C ATOM 0 H ALA A 50 -2.500 -1.959 -9.240 1.00 53.14 H new ATOM 0 HA ALA A 50 -4.850 -1.308 -7.846 1.00 24.52 H new ATOM 0 HB1 ALA A 50 -3.914 0.976 -7.990 1.00 64.23 H new ATOM 0 HB2 ALA A 50 -2.647 -0.208 -7.593 1.00 64.23 H new ATOM 0 HB3 ALA A 50 -2.778 0.433 -9.247 1.00 64.23 H new ATOM 736 N GLN A 51 -4.793 -0.490 -11.034 1.00 62.01 N ATOM 737 CA GLN A 51 -5.610 -0.127 -12.192 1.00 22.13 C ATOM 738 C GLN A 51 -6.820 -1.060 -12.352 1.00 12.10 C ATOM 739 O GLN A 51 -7.941 -0.588 -12.580 1.00 2.23 O ATOM 740 CB GLN A 51 -4.755 -0.177 -13.457 1.00 24.31 C ATOM 741 CG GLN A 51 -3.553 0.754 -13.436 1.00 23.40 C ATOM 742 CD GLN A 51 -2.714 0.628 -14.686 1.00 43.02 C ATOM 743 OE1 GLN A 51 -2.940 1.322 -15.672 1.00 62.14 O ATOM 744 NE2 GLN A 51 -1.752 -0.254 -14.658 1.00 65.30 N ATOM 0 H GLN A 51 -3.818 -0.685 -11.263 1.00 62.01 H new ATOM 0 HA GLN A 51 -5.986 0.883 -12.032 1.00 22.13 H new ATOM 0 HB2 GLN A 51 -4.406 -1.199 -13.606 1.00 24.31 H new ATOM 0 HB3 GLN A 51 -5.380 0.074 -14.314 1.00 24.31 H new ATOM 0 HG2 GLN A 51 -3.895 1.784 -13.332 1.00 23.40 H new ATOM 0 HG3 GLN A 51 -2.938 0.532 -12.564 1.00 23.40 H new ATOM 0 HE21 GLN A 51 -1.596 -0.812 -13.819 1.00 65.30 H new ATOM 0 HE22 GLN A 51 -1.156 -0.385 -15.476 1.00 65.30 H new ATOM 753 N ASP A 52 -6.588 -2.371 -12.214 1.00 3.11 N ATOM 754 CA ASP A 52 -7.676 -3.378 -12.309 1.00 51.12 C ATOM 755 C ASP A 52 -8.703 -3.146 -11.242 1.00 71.43 C ATOM 756 O ASP A 52 -9.910 -3.199 -11.487 1.00 72.10 O ATOM 757 CB ASP A 52 -7.158 -4.815 -12.145 1.00 64.14 C ATOM 758 CG ASP A 52 -6.248 -5.263 -13.234 1.00 51.35 C ATOM 759 OD1 ASP A 52 -6.742 -5.652 -14.303 1.00 41.40 O ATOM 760 OD2 ASP A 52 -5.022 -5.239 -13.036 1.00 72.11 O ATOM 0 H ASP A 52 -5.665 -2.768 -12.037 1.00 3.11 H new ATOM 0 HA ASP A 52 -8.109 -3.262 -13.303 1.00 51.12 H new ATOM 0 HB2 ASP A 52 -6.633 -4.894 -11.193 1.00 64.14 H new ATOM 0 HB3 ASP A 52 -8.010 -5.493 -12.097 1.00 64.14 H new ATOM 765 N LEU A 53 -8.214 -2.861 -10.065 1.00 11.12 N ATOM 766 CA LEU A 53 -9.044 -2.674 -8.914 1.00 74.13 C ATOM 767 C LEU A 53 -9.846 -1.404 -9.009 1.00 74.50 C ATOM 768 O LEU A 53 -11.065 -1.425 -8.777 1.00 22.11 O ATOM 769 CB LEU A 53 -8.181 -2.690 -7.658 1.00 60.33 C ATOM 770 CG LEU A 53 -7.607 -4.049 -7.284 1.00 14.54 C ATOM 771 CD1 LEU A 53 -6.556 -3.892 -6.217 1.00 42.20 C ATOM 772 CD2 LEU A 53 -8.723 -4.946 -6.775 1.00 41.50 C ATOM 0 H LEU A 53 -7.217 -2.752 -9.880 1.00 11.12 H new ATOM 0 HA LEU A 53 -9.760 -3.494 -8.864 1.00 74.13 H new ATOM 0 HB2 LEU A 53 -7.357 -1.990 -7.794 1.00 60.33 H new ATOM 0 HB3 LEU A 53 -8.777 -2.322 -6.822 1.00 60.33 H new ATOM 0 HG LEU A 53 -7.150 -4.499 -8.165 1.00 14.54 H new ATOM 0 HD11 LEU A 53 -6.152 -4.871 -5.957 1.00 42.20 H new ATOM 0 HD12 LEU A 53 -5.753 -3.255 -6.588 1.00 42.20 H new ATOM 0 HD13 LEU A 53 -7.001 -3.437 -5.332 1.00 42.20 H new ATOM 0 HD21 LEU A 53 -8.313 -5.920 -6.507 1.00 41.50 H new ATOM 0 HD22 LEU A 53 -9.183 -4.492 -5.898 1.00 41.50 H new ATOM 0 HD23 LEU A 53 -9.474 -5.071 -7.555 1.00 41.50 H new ATOM 784 N GLU A 54 -9.195 -0.295 -9.369 1.00 52.44 N ATOM 785 CA GLU A 54 -9.887 0.967 -9.503 1.00 1.22 C ATOM 786 C GLU A 54 -10.981 0.886 -10.516 1.00 42.13 C ATOM 787 O GLU A 54 -12.086 1.236 -10.229 1.00 34.04 O ATOM 788 CB GLU A 54 -8.943 2.019 -10.016 1.00 61.34 C ATOM 789 CG GLU A 54 -9.567 3.409 -10.054 1.00 63.03 C ATOM 790 CD GLU A 54 -8.822 4.380 -10.912 1.00 21.34 C ATOM 791 OE1 GLU A 54 -7.804 4.928 -10.485 1.00 72.24 O ATOM 792 OE2 GLU A 54 -9.276 4.643 -12.044 1.00 54.10 O ATOM 0 H GLU A 54 -8.196 -0.256 -9.570 1.00 52.44 H new ATOM 0 HA GLU A 54 -10.285 1.209 -8.517 1.00 1.22 H new ATOM 0 HB2 GLU A 54 -8.055 2.042 -9.384 1.00 61.34 H new ATOM 0 HB3 GLU A 54 -8.614 1.747 -11.019 1.00 61.34 H new ATOM 0 HG2 GLU A 54 -10.591 3.328 -10.418 1.00 63.03 H new ATOM 0 HG3 GLU A 54 -9.620 3.802 -9.039 1.00 63.03 H new ATOM 799 N ALA A 55 -10.656 0.387 -11.692 1.00 45.25 N ATOM 800 CA ALA A 55 -11.612 0.312 -12.788 1.00 51.03 C ATOM 801 C ALA A 55 -12.844 -0.456 -12.379 1.00 32.21 C ATOM 802 O ALA A 55 -14.007 0.009 -12.554 1.00 35.32 O ATOM 803 CB ALA A 55 -10.963 -0.343 -13.991 1.00 74.30 C ATOM 0 H ALA A 55 -9.730 0.024 -11.918 1.00 45.25 H new ATOM 0 HA ALA A 55 -11.917 1.325 -13.050 1.00 51.03 H new ATOM 0 HB1 ALA A 55 -11.682 -0.397 -14.808 1.00 74.30 H new ATOM 0 HB2 ALA A 55 -10.101 0.245 -14.305 1.00 74.30 H new ATOM 0 HB3 ALA A 55 -10.639 -1.349 -13.726 1.00 74.30 H new ATOM 809 N HIS A 56 -12.595 -1.573 -11.756 1.00 53.21 N ATOM 810 CA HIS A 56 -13.641 -2.481 -11.394 1.00 55.12 C ATOM 811 C HIS A 56 -14.534 -1.854 -10.322 1.00 42.42 C ATOM 812 O HIS A 56 -15.750 -2.014 -10.338 1.00 35.11 O ATOM 813 CB HIS A 56 -13.046 -3.812 -10.930 1.00 71.13 C ATOM 814 CG HIS A 56 -14.045 -4.908 -10.796 1.00 2.34 C ATOM 815 ND1 HIS A 56 -14.286 -5.820 -11.797 1.00 54.34 N ATOM 816 CD2 HIS A 56 -14.856 -5.248 -9.782 1.00 53.41 C ATOM 817 CE1 HIS A 56 -15.206 -6.668 -11.399 1.00 53.55 C ATOM 818 NE2 HIS A 56 -15.565 -6.341 -10.180 1.00 54.00 N ATOM 0 H HIS A 56 -11.660 -1.878 -11.486 1.00 53.21 H new ATOM 0 HA HIS A 56 -14.263 -2.683 -12.266 1.00 55.12 H new ATOM 0 HB2 HIS A 56 -12.276 -4.120 -11.637 1.00 71.13 H new ATOM 0 HB3 HIS A 56 -12.554 -3.663 -9.969 1.00 71.13 H new ATOM 0 HD2 HIS A 56 -14.932 -4.748 -8.828 1.00 53.41 H new ATOM 0 HE1 HIS A 56 -15.599 -7.492 -11.975 1.00 53.55 H new ATOM 0 HE2 HIS A 56 -16.264 -6.828 -9.619 1.00 54.00 H new ATOM 827 N PHE A 57 -13.924 -1.137 -9.402 1.00 43.24 N ATOM 828 CA PHE A 57 -14.647 -0.445 -8.365 1.00 3.35 C ATOM 829 C PHE A 57 -15.210 0.902 -8.781 1.00 44.35 C ATOM 830 O PHE A 57 -16.125 1.400 -8.157 1.00 10.32 O ATOM 831 CB PHE A 57 -13.932 -0.426 -7.035 1.00 33.13 C ATOM 832 CG PHE A 57 -14.072 -1.732 -6.303 1.00 12.51 C ATOM 833 CD1 PHE A 57 -15.223 -1.988 -5.608 1.00 64.24 C ATOM 834 CD2 PHE A 57 -13.080 -2.693 -6.310 1.00 42.13 C ATOM 835 CE1 PHE A 57 -15.389 -3.172 -4.927 1.00 52.25 C ATOM 836 CE2 PHE A 57 -13.242 -3.872 -5.633 1.00 4.23 C ATOM 837 CZ PHE A 57 -14.398 -4.110 -4.943 1.00 61.11 C ATOM 0 H PHE A 57 -12.912 -1.020 -9.355 1.00 43.24 H new ATOM 0 HA PHE A 57 -15.532 -1.060 -8.200 1.00 3.35 H new ATOM 0 HB2 PHE A 57 -12.875 -0.211 -7.194 1.00 33.13 H new ATOM 0 HB3 PHE A 57 -14.332 0.380 -6.419 1.00 33.13 H new ATOM 0 HD1 PHE A 57 -16.012 -1.250 -5.594 1.00 64.24 H new ATOM 0 HD2 PHE A 57 -12.166 -2.512 -6.856 1.00 42.13 H new ATOM 0 HE1 PHE A 57 -16.302 -3.359 -4.381 1.00 52.25 H new ATOM 0 HE2 PHE A 57 -12.457 -4.614 -5.644 1.00 4.23 H new ATOM 0 HZ PHE A 57 -14.527 -5.041 -4.410 1.00 61.11 H new ATOM 847 N SER A 58 -14.651 1.489 -9.830 1.00 62.41 N ATOM 848 CA SER A 58 -15.103 2.793 -10.331 1.00 21.11 C ATOM 849 C SER A 58 -16.511 2.674 -10.842 1.00 12.33 C ATOM 850 O SER A 58 -17.292 3.638 -10.802 1.00 3.22 O ATOM 851 CB SER A 58 -14.185 3.359 -11.424 1.00 12.01 C ATOM 852 OG SER A 58 -12.889 3.632 -10.921 1.00 21.21 O ATOM 0 H SER A 58 -13.878 1.085 -10.358 1.00 62.41 H new ATOM 0 HA SER A 58 -15.066 3.495 -9.498 1.00 21.11 H new ATOM 0 HB2 SER A 58 -14.115 2.648 -12.247 1.00 12.01 H new ATOM 0 HB3 SER A 58 -14.620 4.273 -11.829 1.00 12.01 H new ATOM 0 HG SER A 58 -12.594 2.888 -10.356 1.00 21.21 H new ATOM 858 N SER A 59 -16.856 1.486 -11.307 1.00 24.13 N ATOM 859 CA SER A 59 -18.217 1.194 -11.696 1.00 74.24 C ATOM 860 C SER A 59 -19.179 1.416 -10.488 1.00 53.02 C ATOM 861 O SER A 59 -20.377 1.665 -10.661 1.00 20.24 O ATOM 862 CB SER A 59 -18.266 -0.256 -12.145 1.00 11.02 C ATOM 863 OG SER A 59 -17.231 -0.504 -13.086 1.00 44.34 O ATOM 0 H SER A 59 -16.207 0.708 -11.423 1.00 24.13 H new ATOM 0 HA SER A 59 -18.533 1.854 -12.504 1.00 74.24 H new ATOM 0 HB2 SER A 59 -18.154 -0.916 -11.285 1.00 11.02 H new ATOM 0 HB3 SER A 59 -19.236 -0.475 -12.591 1.00 11.02 H new ATOM 0 HG SER A 59 -17.266 -1.441 -13.371 1.00 44.34 H new ATOM 869 N CYS A 60 -18.642 1.304 -9.278 1.00 52.14 N ATOM 870 CA CYS A 60 -19.403 1.514 -8.062 1.00 15.33 C ATOM 871 C CYS A 60 -19.038 2.840 -7.344 1.00 70.12 C ATOM 872 O CYS A 60 -19.580 3.120 -6.287 1.00 21.04 O ATOM 873 CB CYS A 60 -19.158 0.340 -7.107 1.00 71.33 C ATOM 874 SG CYS A 60 -19.539 -1.278 -7.813 1.00 12.42 S ATOM 0 H CYS A 60 -17.664 1.064 -9.118 1.00 52.14 H new ATOM 0 HA CYS A 60 -20.454 1.578 -8.344 1.00 15.33 H new ATOM 0 HB2 CYS A 60 -18.114 0.351 -6.795 1.00 71.33 H new ATOM 0 HB3 CYS A 60 -19.760 0.484 -6.210 1.00 71.33 H new ATOM 0 HG CYS A 60 -18.925 -2.202 -7.136 1.00 12.42 H new ATOM 880 N GLY A 61 -18.150 3.659 -7.919 1.00 31.44 N ATOM 881 CA GLY A 61 -17.764 4.883 -7.210 1.00 3.13 C ATOM 882 C GLY A 61 -16.640 5.678 -7.857 1.00 22.54 C ATOM 883 O GLY A 61 -16.099 5.287 -8.883 1.00 20.20 O ATOM 0 H GLY A 61 -17.705 3.510 -8.825 1.00 31.44 H new ATOM 0 HA2 GLY A 61 -18.640 5.526 -7.124 1.00 3.13 H new ATOM 0 HA3 GLY A 61 -17.463 4.617 -6.197 1.00 3.13 H new ATOM 887 N SER A 62 -16.316 6.811 -7.255 1.00 44.51 N ATOM 888 CA SER A 62 -15.254 7.680 -7.746 1.00 74.00 C ATOM 889 C SER A 62 -13.861 7.134 -7.356 1.00 72.04 C ATOM 890 O SER A 62 -13.042 6.862 -8.223 1.00 33.03 O ATOM 891 CB SER A 62 -15.466 9.090 -7.202 1.00 14.33 C ATOM 892 OG SER A 62 -16.794 9.531 -7.488 1.00 44.40 O ATOM 0 H SER A 62 -16.779 7.155 -6.414 1.00 44.51 H new ATOM 0 HA SER A 62 -15.292 7.709 -8.835 1.00 74.00 H new ATOM 0 HB2 SER A 62 -15.294 9.103 -6.126 1.00 14.33 H new ATOM 0 HB3 SER A 62 -14.743 9.773 -7.648 1.00 14.33 H new ATOM 0 HG SER A 62 -17.437 8.950 -7.031 1.00 44.40 H new ATOM 898 N ILE A 63 -13.610 7.022 -6.037 1.00 14.24 N ATOM 899 CA ILE A 63 -12.381 6.441 -5.422 1.00 61.32 C ATOM 900 C ILE A 63 -11.369 7.509 -4.957 1.00 54.20 C ATOM 901 O ILE A 63 -10.867 8.305 -5.746 1.00 11.33 O ATOM 902 CB ILE A 63 -11.679 5.288 -6.231 1.00 33.42 C ATOM 903 CG1 ILE A 63 -12.661 4.124 -6.481 1.00 42.42 C ATOM 904 CG2 ILE A 63 -10.435 4.802 -5.497 1.00 50.14 C ATOM 905 CD1 ILE A 63 -12.065 2.955 -7.240 1.00 51.23 C ATOM 0 H ILE A 63 -14.278 7.343 -5.336 1.00 14.24 H new ATOM 0 HA ILE A 63 -12.776 5.946 -4.535 1.00 61.32 H new ATOM 0 HB ILE A 63 -11.370 5.683 -7.199 1.00 33.42 H new ATOM 0 HG12 ILE A 63 -13.034 3.766 -5.521 1.00 42.42 H new ATOM 0 HG13 ILE A 63 -13.520 4.502 -7.036 1.00 42.42 H new ATOM 0 HG21 ILE A 63 -9.962 4.005 -6.071 1.00 50.14 H new ATOM 0 HG22 ILE A 63 -9.735 5.629 -5.380 1.00 50.14 H new ATOM 0 HG23 ILE A 63 -10.717 4.424 -4.514 1.00 50.14 H new ATOM 0 HD11 ILE A 63 -12.823 2.183 -7.372 1.00 51.23 H new ATOM 0 HD12 ILE A 63 -11.718 3.294 -8.216 1.00 51.23 H new ATOM 0 HD13 ILE A 63 -11.225 2.547 -6.678 1.00 51.23 H new ATOM 917 N ASN A 64 -11.117 7.523 -3.646 1.00 13.10 N ATOM 918 CA ASN A 64 -10.136 8.430 -3.024 1.00 3.41 C ATOM 919 C ASN A 64 -8.824 7.746 -2.783 1.00 72.12 C ATOM 920 O ASN A 64 -7.784 8.335 -2.968 1.00 52.43 O ATOM 921 CB ASN A 64 -10.605 9.019 -1.684 1.00 42.53 C ATOM 922 CG ASN A 64 -11.579 10.159 -1.795 1.00 4.24 C ATOM 923 OD1 ASN A 64 -11.594 10.889 -2.781 1.00 44.24 O ATOM 924 ND2 ASN A 64 -12.356 10.361 -0.762 1.00 73.12 N ATOM 0 H ASN A 64 -11.585 6.907 -2.981 1.00 13.10 H new ATOM 0 HA ASN A 64 -10.023 9.241 -3.743 1.00 3.41 H new ATOM 0 HB2 ASN A 64 -11.065 8.224 -1.097 1.00 42.53 H new ATOM 0 HB3 ASN A 64 -9.731 9.361 -1.129 1.00 42.53 H new ATOM 0 HD21 ASN A 64 -13.004 11.148 -0.758 1.00 73.12 H new ATOM 0 HD22 ASN A 64 -12.314 9.731 0.039 1.00 73.12 H new ATOM 931 N ARG A 65 -8.874 6.512 -2.375 1.00 72.12 N ATOM 932 CA ARG A 65 -7.671 5.752 -2.052 1.00 24.23 C ATOM 933 C ARG A 65 -7.935 4.309 -2.297 1.00 63.02 C ATOM 934 O ARG A 65 -9.079 3.901 -2.344 1.00 62.41 O ATOM 935 CB ARG A 65 -7.268 5.868 -0.569 1.00 65.21 C ATOM 936 CG ARG A 65 -6.886 7.230 -0.024 1.00 54.32 C ATOM 937 CD ARG A 65 -6.461 7.064 1.428 1.00 33.44 C ATOM 938 NE ARG A 65 -5.933 8.289 2.056 1.00 61.24 N ATOM 939 CZ ARG A 65 -5.294 8.283 3.250 1.00 42.25 C ATOM 940 NH1 ARG A 65 -5.092 7.142 3.883 1.00 43.02 N ATOM 941 NH2 ARG A 65 -4.842 9.407 3.788 1.00 75.53 N ATOM 0 H ARG A 65 -9.743 5.991 -2.252 1.00 72.12 H new ATOM 0 HA ARG A 65 -6.872 6.156 -2.674 1.00 24.23 H new ATOM 0 HB2 ARG A 65 -8.098 5.493 0.030 1.00 65.21 H new ATOM 0 HB3 ARG A 65 -6.426 5.197 -0.402 1.00 65.21 H new ATOM 0 HG2 ARG A 65 -6.073 7.659 -0.610 1.00 54.32 H new ATOM 0 HG3 ARG A 65 -7.729 7.918 -0.096 1.00 54.32 H new ATOM 0 HD2 ARG A 65 -7.317 6.715 2.006 1.00 33.44 H new ATOM 0 HD3 ARG A 65 -5.700 6.286 1.484 1.00 33.44 H new ATOM 0 HE ARG A 65 -6.054 9.178 1.571 1.00 61.24 H new ATOM 0 HH11 ARG A 65 -5.417 6.267 3.473 1.00 43.02 H new ATOM 0 HH12 ARG A 65 -4.611 7.136 4.782 1.00 43.02 H new ATOM 0 HH21 ARG A 65 -4.973 10.294 3.302 1.00 75.53 H new ATOM 0 HH22 ARG A 65 -4.363 9.385 4.688 1.00 75.53 H new ATOM 955 N ILE A 66 -6.888 3.551 -2.460 1.00 14.44 N ATOM 956 CA ILE A 66 -6.976 2.112 -2.517 1.00 41.43 C ATOM 957 C ILE A 66 -5.692 1.565 -1.933 1.00 52.31 C ATOM 958 O ILE A 66 -4.635 2.173 -2.098 1.00 75.54 O ATOM 959 CB ILE A 66 -7.212 1.464 -3.952 1.00 62.42 C ATOM 960 CG1 ILE A 66 -5.969 1.540 -4.831 1.00 43.02 C ATOM 961 CG2 ILE A 66 -8.391 2.103 -4.684 1.00 25.24 C ATOM 962 CD1 ILE A 66 -6.149 0.870 -6.173 1.00 13.23 C ATOM 0 H ILE A 66 -5.940 3.913 -2.558 1.00 14.44 H new ATOM 0 HA ILE A 66 -7.872 1.843 -1.957 1.00 41.43 H new ATOM 0 HB ILE A 66 -7.442 0.415 -3.767 1.00 62.42 H new ATOM 0 HG12 ILE A 66 -5.705 2.586 -4.987 1.00 43.02 H new ATOM 0 HG13 ILE A 66 -5.133 1.075 -4.309 1.00 43.02 H new ATOM 0 HG21 ILE A 66 -8.514 1.630 -5.658 1.00 25.24 H new ATOM 0 HG22 ILE A 66 -9.300 1.968 -4.097 1.00 25.24 H new ATOM 0 HG23 ILE A 66 -8.201 3.168 -4.820 1.00 25.24 H new ATOM 0 HD11 ILE A 66 -5.229 0.959 -6.750 1.00 13.23 H new ATOM 0 HD12 ILE A 66 -6.384 -0.184 -6.025 1.00 13.23 H new ATOM 0 HD13 ILE A 66 -6.964 1.351 -6.713 1.00 13.23 H new ATOM 974 N THR A 67 -5.777 0.476 -1.251 1.00 13.51 N ATOM 975 CA THR A 67 -4.623 -0.151 -0.670 1.00 40.30 C ATOM 976 C THR A 67 -4.595 -1.553 -1.213 1.00 54.54 C ATOM 977 O THR A 67 -5.636 -2.150 -1.362 1.00 63.43 O ATOM 978 CB THR A 67 -4.711 -0.232 0.900 1.00 60.21 C ATOM 979 OG1 THR A 67 -5.738 -1.116 1.294 1.00 44.25 O ATOM 980 CG2 THR A 67 -5.005 1.120 1.523 1.00 62.43 C ATOM 0 H THR A 67 -6.653 -0.015 -1.075 1.00 13.51 H new ATOM 0 HA THR A 67 -3.733 0.428 -0.915 1.00 40.30 H new ATOM 0 HB THR A 67 -3.740 -0.587 1.245 1.00 60.21 H new ATOM 0 HG1 THR A 67 -5.670 -1.288 2.256 1.00 44.25 H new ATOM 0 HG21 THR A 67 -5.057 1.018 2.607 1.00 62.43 H new ATOM 0 HG22 THR A 67 -4.212 1.821 1.262 1.00 62.43 H new ATOM 0 HG23 THR A 67 -5.958 1.494 1.148 1.00 62.43 H new ATOM 988 N ILE A 68 -3.459 -2.060 -1.567 1.00 54.55 N ATOM 989 CA ILE A 68 -3.379 -3.428 -1.995 1.00 74.31 C ATOM 990 C ILE A 68 -2.266 -4.050 -1.213 1.00 63.11 C ATOM 991 O ILE A 68 -1.135 -3.618 -1.325 1.00 33.42 O ATOM 992 CB ILE A 68 -3.035 -3.630 -3.521 1.00 15.32 C ATOM 993 CG1 ILE A 68 -3.825 -2.713 -4.468 1.00 31.02 C ATOM 994 CG2 ILE A 68 -3.275 -5.077 -3.923 1.00 4.02 C ATOM 995 CD1 ILE A 68 -3.230 -1.340 -4.640 1.00 64.14 C ATOM 0 H ILE A 68 -2.574 -1.554 -1.570 1.00 54.55 H new ATOM 0 HA ILE A 68 -4.362 -3.871 -1.836 1.00 74.31 H new ATOM 0 HB ILE A 68 -1.983 -3.362 -3.624 1.00 15.32 H new ATOM 0 HG12 ILE A 68 -3.894 -3.192 -5.445 1.00 31.02 H new ATOM 0 HG13 ILE A 68 -4.843 -2.611 -4.091 1.00 31.02 H new ATOM 0 HG21 ILE A 68 -3.035 -5.206 -4.978 1.00 4.02 H new ATOM 0 HG22 ILE A 68 -2.641 -5.731 -3.324 1.00 4.02 H new ATOM 0 HG23 ILE A 68 -4.321 -5.332 -3.755 1.00 4.02 H new ATOM 0 HD11 ILE A 68 -3.849 -0.758 -5.323 1.00 64.14 H new ATOM 0 HD12 ILE A 68 -3.187 -0.838 -3.673 1.00 64.14 H new ATOM 0 HD13 ILE A 68 -2.223 -1.428 -5.048 1.00 64.14 H new ATOM 1007 N LEU A 69 -2.560 -5.005 -0.407 1.00 22.52 N ATOM 1008 CA LEU A 69 -1.529 -5.648 0.350 1.00 14.04 C ATOM 1009 C LEU A 69 -1.471 -7.122 0.042 1.00 53.44 C ATOM 1010 O LEU A 69 -2.474 -7.819 0.127 1.00 24.01 O ATOM 1011 CB LEU A 69 -1.534 -5.323 1.870 1.00 22.22 C ATOM 1012 CG LEU A 69 -2.774 -5.643 2.720 1.00 35.25 C ATOM 1013 CD1 LEU A 69 -2.410 -5.462 4.188 1.00 42.55 C ATOM 1014 CD2 LEU A 69 -3.919 -4.682 2.385 1.00 31.10 C ATOM 0 H LEU A 69 -3.502 -5.364 -0.249 1.00 22.52 H new ATOM 0 HA LEU A 69 -0.589 -5.209 0.014 1.00 14.04 H new ATOM 0 HB2 LEU A 69 -0.690 -5.849 2.317 1.00 22.22 H new ATOM 0 HB3 LEU A 69 -1.336 -4.256 1.974 1.00 22.22 H new ATOM 0 HG LEU A 69 -3.093 -6.665 2.514 1.00 35.25 H new ATOM 0 HD11 LEU A 69 -3.278 -5.685 4.808 1.00 42.55 H new ATOM 0 HD12 LEU A 69 -1.596 -6.139 4.447 1.00 42.55 H new ATOM 0 HD13 LEU A 69 -2.095 -4.433 4.361 1.00 42.55 H new ATOM 0 HD21 LEU A 69 -4.788 -4.924 2.997 1.00 31.10 H new ATOM 0 HD22 LEU A 69 -3.606 -3.658 2.589 1.00 31.10 H new ATOM 0 HD23 LEU A 69 -4.179 -4.779 1.331 1.00 31.10 H new ATOM 1026 N CYS A 70 -0.318 -7.581 -0.333 1.00 43.15 N ATOM 1027 CA CYS A 70 -0.113 -8.959 -0.719 1.00 64.30 C ATOM 1028 C CYS A 70 0.834 -9.617 0.266 1.00 51.53 C ATOM 1029 O CYS A 70 1.863 -9.017 0.616 1.00 75.40 O ATOM 1030 CB CYS A 70 0.491 -8.989 -2.131 1.00 31.30 C ATOM 1031 SG CYS A 70 -0.552 -8.215 -3.392 1.00 64.31 S ATOM 0 H CYS A 70 0.525 -7.008 -0.383 1.00 43.15 H new ATOM 0 HA CYS A 70 -1.060 -9.499 -0.716 1.00 64.30 H new ATOM 0 HB2 CYS A 70 1.457 -8.485 -2.113 1.00 31.30 H new ATOM 0 HB3 CYS A 70 0.678 -10.025 -2.414 1.00 31.30 H new ATOM 0 HG CYS A 70 0.039 -8.286 -4.548 1.00 64.31 H new ATOM 1037 N ASP A 71 0.514 -10.822 0.749 1.00 42.51 N ATOM 1038 CA ASP A 71 1.413 -11.452 1.695 1.00 74.11 C ATOM 1039 C ASP A 71 1.928 -12.759 1.145 1.00 54.25 C ATOM 1040 O ASP A 71 1.168 -13.601 0.695 1.00 12.21 O ATOM 1041 CB ASP A 71 0.780 -11.651 3.094 1.00 34.32 C ATOM 1042 CG ASP A 71 -0.235 -12.773 3.179 1.00 31.10 C ATOM 1043 OD1 ASP A 71 -1.396 -12.572 2.808 1.00 41.43 O ATOM 1044 OD2 ASP A 71 0.138 -13.873 3.649 1.00 24.25 O ATOM 0 H ASP A 71 -0.323 -11.353 0.509 1.00 42.51 H new ATOM 0 HA ASP A 71 2.251 -10.769 1.834 1.00 74.11 H new ATOM 0 HB2 ASP A 71 1.576 -11.845 3.813 1.00 34.32 H new ATOM 0 HB3 ASP A 71 0.298 -10.721 3.395 1.00 34.32 H new ATOM 1049 N LYS A 72 3.220 -12.907 1.156 1.00 3.40 N ATOM 1050 CA LYS A 72 3.856 -14.097 0.647 1.00 75.44 C ATOM 1051 C LYS A 72 4.677 -14.729 1.772 1.00 43.43 C ATOM 1052 O LYS A 72 5.484 -15.633 1.548 1.00 73.04 O ATOM 1053 CB LYS A 72 4.786 -13.737 -0.531 1.00 13.32 C ATOM 1054 CG LYS A 72 5.248 -14.949 -1.343 1.00 4.25 C ATOM 1055 CD LYS A 72 6.338 -14.616 -2.347 1.00 51.22 C ATOM 1056 CE LYS A 72 5.917 -13.549 -3.339 1.00 53.04 C ATOM 1057 NZ LYS A 72 6.970 -13.281 -4.324 1.00 23.45 N ATOM 0 H LYS A 72 3.868 -12.207 1.518 1.00 3.40 H new ATOM 0 HA LYS A 72 3.099 -14.797 0.294 1.00 75.44 H new ATOM 0 HB2 LYS A 72 4.267 -13.044 -1.193 1.00 13.32 H new ATOM 0 HB3 LYS A 72 5.661 -13.215 -0.145 1.00 13.32 H new ATOM 0 HG2 LYS A 72 5.613 -15.717 -0.661 1.00 4.25 H new ATOM 0 HG3 LYS A 72 4.393 -15.372 -1.871 1.00 4.25 H new ATOM 0 HD2 LYS A 72 7.227 -14.279 -1.813 1.00 51.22 H new ATOM 0 HD3 LYS A 72 6.615 -15.520 -2.889 1.00 51.22 H new ATOM 0 HE2 LYS A 72 5.010 -13.867 -3.853 1.00 53.04 H new ATOM 0 HE3 LYS A 72 5.675 -12.630 -2.805 1.00 53.04 H new ATOM 0 HZ1 LYS A 72 6.668 -12.511 -4.955 1.00 23.45 H new ATOM 0 HZ2 LYS A 72 7.843 -13.003 -3.832 1.00 23.45 H new ATOM 0 HZ3 LYS A 72 7.147 -14.139 -4.885 1.00 23.45 H new ATOM 1071 N PHE A 73 4.464 -14.257 2.999 1.00 71.44 N ATOM 1072 CA PHE A 73 5.225 -14.755 4.144 1.00 30.12 C ATOM 1073 C PHE A 73 4.983 -16.253 4.398 1.00 13.54 C ATOM 1074 O PHE A 73 5.811 -16.936 5.005 1.00 4.14 O ATOM 1075 CB PHE A 73 4.990 -13.899 5.423 1.00 40.21 C ATOM 1076 CG PHE A 73 3.606 -13.933 6.027 1.00 51.42 C ATOM 1077 CD1 PHE A 73 3.205 -14.999 6.818 1.00 10.41 C ATOM 1078 CD2 PHE A 73 2.727 -12.892 5.830 1.00 60.03 C ATOM 1079 CE1 PHE A 73 1.954 -15.023 7.395 1.00 54.13 C ATOM 1080 CE2 PHE A 73 1.470 -12.910 6.404 1.00 54.21 C ATOM 1081 CZ PHE A 73 1.084 -13.978 7.184 1.00 5.21 C ATOM 0 H PHE A 73 3.778 -13.537 3.225 1.00 71.44 H new ATOM 0 HA PHE A 73 6.279 -14.649 3.885 1.00 30.12 H new ATOM 0 HB2 PHE A 73 5.699 -14.225 6.184 1.00 40.21 H new ATOM 0 HB3 PHE A 73 5.231 -12.863 5.186 1.00 40.21 H new ATOM 0 HD1 PHE A 73 3.883 -15.823 6.984 1.00 10.41 H new ATOM 0 HD2 PHE A 73 3.023 -12.052 5.220 1.00 60.03 H new ATOM 0 HE1 PHE A 73 1.657 -15.859 8.011 1.00 54.13 H new ATOM 0 HE2 PHE A 73 0.790 -12.087 6.241 1.00 54.21 H new ATOM 0 HZ PHE A 73 0.100 -13.995 7.629 1.00 5.21 H new ATOM 1091 N SER A 74 3.861 -16.750 3.906 1.00 43.14 N ATOM 1092 CA SER A 74 3.500 -18.146 4.047 1.00 44.43 C ATOM 1093 C SER A 74 4.030 -18.975 2.841 1.00 73.43 C ATOM 1094 O SER A 74 3.755 -20.168 2.728 1.00 62.42 O ATOM 1095 CB SER A 74 1.959 -18.255 4.171 1.00 0.52 C ATOM 1096 OG SER A 74 1.511 -19.594 4.346 1.00 1.24 O ATOM 0 H SER A 74 3.175 -16.193 3.397 1.00 43.14 H new ATOM 0 HA SER A 74 3.960 -18.556 4.947 1.00 44.43 H new ATOM 0 HB2 SER A 74 1.624 -17.652 5.015 1.00 0.52 H new ATOM 0 HB3 SER A 74 1.497 -17.837 3.277 1.00 0.52 H new ATOM 0 HG SER A 74 2.136 -20.208 3.907 1.00 1.24 H new ATOM 1102 N GLY A 75 4.789 -18.344 1.958 1.00 54.42 N ATOM 1103 CA GLY A 75 5.327 -19.048 0.802 1.00 34.14 C ATOM 1104 C GLY A 75 4.653 -18.626 -0.480 1.00 12.25 C ATOM 1105 O GLY A 75 5.305 -18.192 -1.424 1.00 12.23 O ATOM 0 H GLY A 75 5.044 -17.358 2.017 1.00 54.42 H new ATOM 0 HA2 GLY A 75 6.398 -18.859 0.728 1.00 34.14 H new ATOM 0 HA3 GLY A 75 5.202 -20.122 0.941 1.00 34.14 H new ATOM 1109 N HIS A 76 3.356 -18.757 -0.510 1.00 53.31 N ATOM 1110 CA HIS A 76 2.581 -18.324 -1.653 1.00 74.13 C ATOM 1111 C HIS A 76 2.034 -16.947 -1.415 1.00 11.04 C ATOM 1112 O HIS A 76 1.583 -16.642 -0.308 1.00 4.13 O ATOM 1113 CB HIS A 76 1.487 -19.312 -2.083 1.00 65.04 C ATOM 1114 CG HIS A 76 2.015 -20.527 -2.786 1.00 74.40 C ATOM 1115 ND1 HIS A 76 1.247 -21.624 -3.070 1.00 43.44 N ATOM 1116 CD2 HIS A 76 3.233 -20.784 -3.316 1.00 12.40 C ATOM 1117 CE1 HIS A 76 1.962 -22.498 -3.740 1.00 55.12 C ATOM 1118 NE2 HIS A 76 3.169 -22.013 -3.903 1.00 31.04 N ATOM 0 H HIS A 76 2.805 -19.162 0.247 1.00 53.31 H new ATOM 0 HA HIS A 76 3.267 -18.292 -2.500 1.00 74.13 H new ATOM 0 HB2 HIS A 76 0.928 -19.627 -1.202 1.00 65.04 H new ATOM 0 HB3 HIS A 76 0.785 -18.799 -2.740 1.00 65.04 H new ATOM 0 HD2 HIS A 76 4.096 -20.136 -3.281 1.00 12.40 H new ATOM 0 HE1 HIS A 76 1.614 -23.456 -4.097 1.00 55.12 H new ATOM 0 HE2 HIS A 76 3.935 -22.479 -4.389 1.00 31.04 H new ATOM 1127 N PRO A 77 2.104 -16.076 -2.416 1.00 54.24 N ATOM 1128 CA PRO A 77 1.634 -14.721 -2.277 1.00 52.40 C ATOM 1129 C PRO A 77 0.130 -14.599 -2.405 1.00 71.21 C ATOM 1130 O PRO A 77 -0.463 -14.954 -3.432 1.00 40.11 O ATOM 1131 CB PRO A 77 2.335 -13.992 -3.411 1.00 35.45 C ATOM 1132 CG PRO A 77 2.514 -15.026 -4.474 1.00 40.13 C ATOM 1133 CD PRO A 77 2.660 -16.341 -3.765 1.00 52.34 C ATOM 0 HA PRO A 77 1.853 -14.316 -1.289 1.00 52.40 H new ATOM 0 HB2 PRO A 77 1.739 -13.153 -3.771 1.00 35.45 H new ATOM 0 HB3 PRO A 77 3.294 -13.586 -3.088 1.00 35.45 H new ATOM 0 HG2 PRO A 77 1.658 -15.041 -5.149 1.00 40.13 H new ATOM 0 HG3 PRO A 77 3.394 -14.812 -5.080 1.00 40.13 H new ATOM 0 HD2 PRO A 77 2.113 -17.134 -4.275 1.00 52.34 H new ATOM 0 HD3 PRO A 77 3.703 -16.655 -3.714 1.00 52.34 H new ATOM 1141 N LYS A 78 -0.468 -14.130 -1.356 1.00 15.40 N ATOM 1142 CA LYS A 78 -1.867 -13.852 -1.297 1.00 25.35 C ATOM 1143 C LYS A 78 -2.066 -12.368 -1.358 1.00 33.42 C ATOM 1144 O LYS A 78 -1.145 -11.639 -1.724 1.00 12.14 O ATOM 1145 CB LYS A 78 -2.432 -14.378 0.008 1.00 21.34 C ATOM 1146 CG LYS A 78 -2.295 -15.862 0.163 1.00 12.23 C ATOM 1147 CD LYS A 78 -3.005 -16.362 1.419 1.00 22.52 C ATOM 1148 CE LYS A 78 -2.429 -15.729 2.668 1.00 55.13 C ATOM 1149 NZ LYS A 78 -1.005 -16.055 2.834 1.00 64.35 N ATOM 0 H LYS A 78 0.023 -13.923 -0.486 1.00 15.40 H new ATOM 0 HA LYS A 78 -2.376 -14.333 -2.132 1.00 25.35 H new ATOM 0 HB2 LYS A 78 -1.926 -13.886 0.839 1.00 21.34 H new ATOM 0 HB3 LYS A 78 -3.486 -14.110 0.073 1.00 21.34 H new ATOM 0 HG2 LYS A 78 -2.710 -16.360 -0.713 1.00 12.23 H new ATOM 0 HG3 LYS A 78 -1.239 -16.128 0.211 1.00 12.23 H new ATOM 0 HD2 LYS A 78 -4.069 -16.135 1.352 1.00 22.52 H new ATOM 0 HD3 LYS A 78 -2.913 -17.446 1.483 1.00 22.52 H new ATOM 0 HE2 LYS A 78 -2.551 -14.647 2.618 1.00 55.13 H new ATOM 0 HE3 LYS A 78 -2.985 -16.072 3.540 1.00 55.13 H new ATOM 0 HZ1 LYS A 78 -0.839 -16.404 3.800 1.00 64.35 H new ATOM 0 HZ2 LYS A 78 -0.735 -16.790 2.149 1.00 64.35 H new ATOM 0 HZ3 LYS A 78 -0.432 -15.202 2.671 1.00 64.35 H new ATOM 1163 N GLY A 79 -3.235 -11.913 -0.994 1.00 31.12 N ATOM 1164 CA GLY A 79 -3.477 -10.522 -1.008 1.00 62.03 C ATOM 1165 C GLY A 79 -4.899 -10.135 -0.714 1.00 21.14 C ATOM 1166 O GLY A 79 -5.834 -10.960 -0.769 1.00 73.24 O ATOM 0 H GLY A 79 -4.019 -12.490 -0.689 1.00 31.12 H new ATOM 0 HA2 GLY A 79 -2.825 -10.045 -0.276 1.00 62.03 H new ATOM 0 HA3 GLY A 79 -3.201 -10.128 -1.986 1.00 62.03 H new ATOM 1170 N TYR A 80 -5.040 -8.894 -0.379 1.00 21.31 N ATOM 1171 CA TYR A 80 -6.288 -8.255 -0.128 1.00 53.41 C ATOM 1172 C TYR A 80 -6.117 -6.759 -0.290 1.00 62.33 C ATOM 1173 O TYR A 80 -5.010 -6.245 -0.156 1.00 34.41 O ATOM 1174 CB TYR A 80 -6.930 -8.681 1.223 1.00 5.03 C ATOM 1175 CG TYR A 80 -6.059 -8.576 2.462 1.00 21.41 C ATOM 1176 CD1 TYR A 80 -5.171 -9.596 2.791 1.00 75.05 C ATOM 1177 CD2 TYR A 80 -6.149 -7.491 3.315 1.00 33.31 C ATOM 1178 CE1 TYR A 80 -4.401 -9.533 3.929 1.00 23.13 C ATOM 1179 CE2 TYR A 80 -5.377 -7.419 4.455 1.00 13.21 C ATOM 1180 CZ TYR A 80 -4.504 -8.444 4.758 1.00 43.34 C ATOM 1181 OH TYR A 80 -3.736 -8.376 5.898 1.00 31.05 O ATOM 0 H TYR A 80 -4.244 -8.266 -0.267 1.00 21.31 H new ATOM 0 HA TYR A 80 -7.016 -8.590 -0.867 1.00 53.41 H new ATOM 0 HB2 TYR A 80 -7.820 -8.073 1.382 1.00 5.03 H new ATOM 0 HB3 TYR A 80 -7.263 -9.715 1.129 1.00 5.03 H new ATOM 0 HD1 TYR A 80 -5.085 -10.454 2.140 1.00 75.05 H new ATOM 0 HD2 TYR A 80 -6.834 -6.688 3.085 1.00 33.31 H new ATOM 0 HE1 TYR A 80 -3.719 -10.336 4.169 1.00 23.13 H new ATOM 0 HE2 TYR A 80 -5.455 -6.563 5.109 1.00 13.21 H new ATOM 0 HH TYR A 80 -3.928 -7.540 6.373 1.00 31.05 H new ATOM 1191 N ALA A 81 -7.167 -6.082 -0.612 1.00 41.11 N ATOM 1192 CA ALA A 81 -7.100 -4.681 -0.930 1.00 33.32 C ATOM 1193 C ALA A 81 -8.238 -3.920 -0.283 1.00 31.01 C ATOM 1194 O ALA A 81 -9.257 -4.480 0.000 1.00 11.13 O ATOM 1195 CB ALA A 81 -7.165 -4.520 -2.447 1.00 30.53 C ATOM 0 H ALA A 81 -8.105 -6.480 -0.665 1.00 41.11 H new ATOM 0 HA ALA A 81 -6.165 -4.274 -0.546 1.00 33.32 H new ATOM 0 HB1 ALA A 81 -7.115 -3.462 -2.703 1.00 30.53 H new ATOM 0 HB2 ALA A 81 -6.326 -5.044 -2.905 1.00 30.53 H new ATOM 0 HB3 ALA A 81 -8.100 -4.939 -2.818 1.00 30.53 H new ATOM 1201 N TYR A 82 -8.034 -2.669 -0.020 1.00 11.30 N ATOM 1202 CA TYR A 82 -9.081 -1.796 0.489 1.00 2.41 C ATOM 1203 C TYR A 82 -9.328 -0.698 -0.480 1.00 43.45 C ATOM 1204 O TYR A 82 -8.395 -0.084 -0.964 1.00 64.20 O ATOM 1205 CB TYR A 82 -8.707 -1.208 1.837 1.00 25.31 C ATOM 1206 CG TYR A 82 -8.799 -2.164 2.976 1.00 22.01 C ATOM 1207 CD1 TYR A 82 -7.913 -3.215 3.110 1.00 33.44 C ATOM 1208 CD2 TYR A 82 -9.791 -2.014 3.919 1.00 74.45 C ATOM 1209 CE1 TYR A 82 -8.018 -4.087 4.160 1.00 55.32 C ATOM 1210 CE2 TYR A 82 -9.907 -2.876 4.963 1.00 43.12 C ATOM 1211 CZ TYR A 82 -9.024 -3.907 5.091 1.00 32.13 C ATOM 1212 OH TYR A 82 -9.170 -4.773 6.130 1.00 65.40 O ATOM 0 H TYR A 82 -7.134 -2.206 -0.148 1.00 11.30 H new ATOM 0 HA TYR A 82 -9.985 -2.392 0.618 1.00 2.41 H new ATOM 0 HB2 TYR A 82 -7.688 -0.825 1.782 1.00 25.31 H new ATOM 0 HB3 TYR A 82 -9.357 -0.357 2.041 1.00 25.31 H new ATOM 0 HD1 TYR A 82 -7.130 -3.350 2.379 1.00 33.44 H new ATOM 0 HD2 TYR A 82 -10.490 -1.196 3.827 1.00 74.45 H new ATOM 0 HE1 TYR A 82 -7.322 -4.907 4.260 1.00 55.32 H new ATOM 0 HE2 TYR A 82 -10.696 -2.745 5.689 1.00 43.12 H new ATOM 0 HH TYR A 82 -8.617 -5.567 5.974 1.00 65.40 H new ATOM 1222 N ILE A 83 -10.557 -0.480 -0.821 1.00 21.22 N ATOM 1223 CA ILE A 83 -10.881 0.566 -1.733 1.00 54.34 C ATOM 1224 C ILE A 83 -11.642 1.668 -0.983 1.00 74.42 C ATOM 1225 O ILE A 83 -12.759 1.451 -0.525 1.00 75.24 O ATOM 1226 CB ILE A 83 -11.779 0.028 -2.900 1.00 21.51 C ATOM 1227 CG1 ILE A 83 -11.212 -1.254 -3.561 1.00 54.31 C ATOM 1228 CG2 ILE A 83 -12.019 1.095 -3.951 1.00 14.33 C ATOM 1229 CD1 ILE A 83 -9.826 -1.130 -4.154 1.00 64.12 C ATOM 0 H ILE A 83 -11.355 -1.015 -0.479 1.00 21.22 H new ATOM 0 HA ILE A 83 -9.957 0.961 -2.155 1.00 54.34 H new ATOM 0 HB ILE A 83 -12.731 -0.240 -2.442 1.00 21.51 H new ATOM 0 HG12 ILE A 83 -11.198 -2.049 -2.815 1.00 54.31 H new ATOM 0 HG13 ILE A 83 -11.897 -1.568 -4.349 1.00 54.31 H new ATOM 0 HG21 ILE A 83 -12.645 0.689 -4.746 1.00 14.33 H new ATOM 0 HG22 ILE A 83 -12.520 1.949 -3.495 1.00 14.33 H new ATOM 0 HG23 ILE A 83 -11.065 1.415 -4.369 1.00 14.33 H new ATOM 0 HD11 ILE A 83 -9.530 -2.085 -4.589 1.00 64.12 H new ATOM 0 HD12 ILE A 83 -9.829 -0.364 -4.929 1.00 64.12 H new ATOM 0 HD13 ILE A 83 -9.119 -0.852 -3.372 1.00 64.12 H new ATOM 1241 N GLU A 84 -11.040 2.821 -0.838 1.00 65.23 N ATOM 1242 CA GLU A 84 -11.717 3.926 -0.204 1.00 52.20 C ATOM 1243 C GLU A 84 -12.370 4.826 -1.236 1.00 44.24 C ATOM 1244 O GLU A 84 -11.700 5.394 -2.103 1.00 34.33 O ATOM 1245 CB GLU A 84 -10.835 4.773 0.738 1.00 14.31 C ATOM 1246 CG GLU A 84 -10.378 4.103 2.026 1.00 1.22 C ATOM 1247 CD GLU A 84 -9.108 3.320 1.950 1.00 54.41 C ATOM 1248 OE1 GLU A 84 -8.027 3.941 1.775 1.00 45.14 O ATOM 1249 OE2 GLU A 84 -9.173 2.113 2.153 1.00 34.11 O ATOM 0 H GLU A 84 -10.089 3.020 -1.148 1.00 65.23 H new ATOM 0 HA GLU A 84 -12.473 3.460 0.427 1.00 52.20 H new ATOM 0 HB2 GLU A 84 -9.950 5.088 0.185 1.00 14.31 H new ATOM 0 HB3 GLU A 84 -11.386 5.676 1.000 1.00 14.31 H new ATOM 0 HG2 GLU A 84 -10.260 4.873 2.789 1.00 1.22 H new ATOM 0 HG3 GLU A 84 -11.171 3.437 2.365 1.00 1.22 H new ATOM 1256 N PHE A 85 -13.661 4.967 -1.142 1.00 1.25 N ATOM 1257 CA PHE A 85 -14.405 5.809 -2.048 1.00 22.15 C ATOM 1258 C PHE A 85 -14.542 7.185 -1.466 1.00 41.54 C ATOM 1259 O PHE A 85 -14.266 7.380 -0.300 1.00 11.51 O ATOM 1260 CB PHE A 85 -15.789 5.235 -2.313 1.00 41.02 C ATOM 1261 CG PHE A 85 -15.783 3.900 -2.976 1.00 40.02 C ATOM 1262 CD1 PHE A 85 -15.615 3.804 -4.341 1.00 13.31 C ATOM 1263 CD2 PHE A 85 -15.953 2.742 -2.241 1.00 74.24 C ATOM 1264 CE1 PHE A 85 -15.614 2.579 -4.964 1.00 72.01 C ATOM 1265 CE2 PHE A 85 -15.956 1.517 -2.857 1.00 21.43 C ATOM 1266 CZ PHE A 85 -15.786 1.436 -4.221 1.00 23.05 C ATOM 0 H PHE A 85 -14.233 4.503 -0.436 1.00 1.25 H new ATOM 0 HA PHE A 85 -13.861 5.858 -2.991 1.00 22.15 H new ATOM 0 HB2 PHE A 85 -16.324 5.155 -1.367 1.00 41.02 H new ATOM 0 HB3 PHE A 85 -16.346 5.934 -2.936 1.00 41.02 H new ATOM 0 HD1 PHE A 85 -15.483 4.701 -4.927 1.00 13.31 H new ATOM 0 HD2 PHE A 85 -16.085 2.803 -1.171 1.00 74.24 H new ATOM 0 HE1 PHE A 85 -15.479 2.515 -6.034 1.00 72.01 H new ATOM 0 HE2 PHE A 85 -16.091 0.618 -2.274 1.00 21.43 H new ATOM 0 HZ PHE A 85 -15.788 0.472 -4.708 1.00 23.05 H new ATOM 1276 N ALA A 86 -14.902 8.142 -2.283 1.00 15.24 N ATOM 1277 CA ALA A 86 -15.174 9.483 -1.807 1.00 60.12 C ATOM 1278 C ALA A 86 -16.599 9.580 -1.329 1.00 3.13 C ATOM 1279 O ALA A 86 -16.973 10.523 -0.624 1.00 63.10 O ATOM 1280 CB ALA A 86 -14.930 10.498 -2.917 1.00 33.44 C ATOM 0 H ALA A 86 -15.015 8.020 -3.289 1.00 15.24 H new ATOM 0 HA ALA A 86 -14.503 9.702 -0.977 1.00 60.12 H new ATOM 0 HB1 ALA A 86 -15.138 11.501 -2.545 1.00 33.44 H new ATOM 0 HB2 ALA A 86 -13.891 10.440 -3.241 1.00 33.44 H new ATOM 0 HB3 ALA A 86 -15.586 10.280 -3.760 1.00 33.44 H new ATOM 1286 N GLU A 87 -17.401 8.629 -1.751 1.00 3.53 N ATOM 1287 CA GLU A 87 -18.788 8.612 -1.407 1.00 40.04 C ATOM 1288 C GLU A 87 -19.138 7.370 -0.580 1.00 53.42 C ATOM 1289 O GLU A 87 -18.628 6.276 -0.830 1.00 72.00 O ATOM 1290 CB GLU A 87 -19.651 8.656 -2.689 1.00 21.25 C ATOM 1291 CG GLU A 87 -19.013 9.376 -3.910 1.00 62.14 C ATOM 1292 CD GLU A 87 -18.037 8.482 -4.736 1.00 62.03 C ATOM 1293 OE1 GLU A 87 -16.891 8.219 -4.316 1.00 50.30 O ATOM 1294 OE2 GLU A 87 -18.436 8.020 -5.827 1.00 24.22 O ATOM 0 H GLU A 87 -17.103 7.852 -2.340 1.00 3.53 H new ATOM 0 HA GLU A 87 -18.998 9.493 -0.800 1.00 40.04 H new ATOM 0 HB2 GLU A 87 -19.890 7.633 -2.979 1.00 21.25 H new ATOM 0 HB3 GLU A 87 -20.594 9.149 -2.453 1.00 21.25 H new ATOM 0 HG2 GLU A 87 -19.808 9.730 -4.566 1.00 62.14 H new ATOM 0 HG3 GLU A 87 -18.474 10.256 -3.559 1.00 62.14 H new ATOM 1301 N ARG A 88 -20.015 7.552 0.399 1.00 1.53 N ATOM 1302 CA ARG A 88 -20.450 6.478 1.293 1.00 2.42 C ATOM 1303 C ARG A 88 -21.443 5.568 0.518 1.00 22.20 C ATOM 1304 O ARG A 88 -21.549 4.372 0.758 1.00 13.20 O ATOM 1305 CB ARG A 88 -21.107 7.117 2.557 1.00 21.51 C ATOM 1306 CG ARG A 88 -21.240 6.228 3.827 1.00 21.33 C ATOM 1307 CD ARG A 88 -22.130 5.010 3.653 1.00 64.54 C ATOM 1308 NE ARG A 88 -23.484 5.372 3.208 1.00 60.20 N ATOM 1309 CZ ARG A 88 -24.464 4.502 2.932 1.00 61.54 C ATOM 1310 NH1 ARG A 88 -24.282 3.196 3.120 1.00 71.11 N ATOM 1311 NH2 ARG A 88 -25.626 4.943 2.477 1.00 51.23 N ATOM 0 H ARG A 88 -20.449 8.453 0.599 1.00 1.53 H new ATOM 0 HA ARG A 88 -19.611 5.865 1.623 1.00 2.42 H new ATOM 0 HB2 ARG A 88 -20.529 8.002 2.825 1.00 21.51 H new ATOM 0 HB3 ARG A 88 -22.104 7.459 2.281 1.00 21.51 H new ATOM 0 HG2 ARG A 88 -20.246 5.896 4.128 1.00 21.33 H new ATOM 0 HG3 ARG A 88 -21.633 6.836 4.641 1.00 21.33 H new ATOM 0 HD2 ARG A 88 -21.679 4.333 2.927 1.00 64.54 H new ATOM 0 HD3 ARG A 88 -22.192 4.469 4.597 1.00 64.54 H new ATOM 0 HE ARG A 88 -23.693 6.365 3.101 1.00 60.20 H new ATOM 0 HH11 ARG A 88 -23.391 2.851 3.477 1.00 71.11 H new ATOM 0 HH12 ARG A 88 -25.034 2.540 2.907 1.00 71.11 H new ATOM 0 HH21 ARG A 88 -25.773 5.943 2.338 1.00 51.23 H new ATOM 0 HH22 ARG A 88 -26.375 4.283 2.266 1.00 51.23 H new ATOM 1325 N ASN A 89 -22.148 6.147 -0.418 1.00 0.20 N ATOM 1326 CA ASN A 89 -23.080 5.390 -1.265 1.00 64.43 C ATOM 1327 C ASN A 89 -22.323 4.436 -2.180 1.00 20.04 C ATOM 1328 O ASN A 89 -22.861 3.415 -2.623 1.00 45.12 O ATOM 1329 CB ASN A 89 -23.934 6.341 -2.104 1.00 42.54 C ATOM 1330 CG ASN A 89 -24.936 7.144 -1.286 1.00 50.21 C ATOM 1331 OD1 ASN A 89 -24.600 8.139 -0.671 1.00 21.54 O ATOM 1332 ND2 ASN A 89 -26.171 6.782 -1.358 1.00 74.32 N ATOM 0 H ASN A 89 -22.106 7.145 -0.627 1.00 0.20 H new ATOM 0 HA ASN A 89 -23.732 4.809 -0.613 1.00 64.43 H new ATOM 0 HB2 ASN A 89 -23.279 7.029 -2.637 1.00 42.54 H new ATOM 0 HB3 ASN A 89 -24.471 5.765 -2.857 1.00 42.54 H new ATOM 0 HD21 ASN A 89 -26.892 7.334 -0.893 1.00 74.32 H new ATOM 0 HD22 ASN A 89 -26.427 5.944 -1.880 1.00 74.32 H new ATOM 1339 N SER A 90 -21.076 4.760 -2.460 1.00 43.30 N ATOM 1340 CA SER A 90 -20.242 3.964 -3.314 1.00 33.04 C ATOM 1341 C SER A 90 -19.821 2.658 -2.649 1.00 74.14 C ATOM 1342 O SER A 90 -19.757 1.627 -3.301 1.00 3.34 O ATOM 1343 CB SER A 90 -19.077 4.793 -3.732 1.00 33.21 C ATOM 1344 OG SER A 90 -19.574 5.982 -4.303 1.00 31.42 O ATOM 0 H SER A 90 -20.616 5.593 -2.093 1.00 43.30 H new ATOM 0 HA SER A 90 -20.804 3.664 -4.199 1.00 33.04 H new ATOM 0 HB2 SER A 90 -18.442 5.018 -2.875 1.00 33.21 H new ATOM 0 HB3 SER A 90 -18.462 4.252 -4.452 1.00 33.21 H new ATOM 0 HG SER A 90 -19.849 5.811 -5.228 1.00 31.42 H new ATOM 1350 N VAL A 91 -19.559 2.694 -1.341 1.00 3.03 N ATOM 1351 CA VAL A 91 -19.282 1.460 -0.617 1.00 32.23 C ATOM 1352 C VAL A 91 -20.516 0.599 -0.601 1.00 54.22 C ATOM 1353 O VAL A 91 -20.438 -0.614 -0.769 1.00 31.30 O ATOM 1354 CB VAL A 91 -18.638 1.657 0.822 1.00 0.11 C ATOM 1355 CG1 VAL A 91 -19.149 2.873 1.472 1.00 64.55 C ATOM 1356 CG2 VAL A 91 -18.938 0.475 1.747 1.00 54.53 C ATOM 0 H VAL A 91 -19.534 3.543 -0.776 1.00 3.03 H new ATOM 0 HA VAL A 91 -18.494 0.941 -1.163 1.00 32.23 H new ATOM 0 HB VAL A 91 -17.563 1.736 0.663 1.00 0.11 H new ATOM 0 HG11 VAL A 91 -18.690 2.981 2.455 1.00 64.55 H new ATOM 0 HG12 VAL A 91 -18.906 3.742 0.861 1.00 64.55 H new ATOM 0 HG13 VAL A 91 -20.231 2.799 1.583 1.00 64.55 H new ATOM 0 HG21 VAL A 91 -18.480 0.649 2.721 1.00 54.53 H new ATOM 0 HG22 VAL A 91 -20.016 0.371 1.867 1.00 54.53 H new ATOM 0 HG23 VAL A 91 -18.532 -0.439 1.313 1.00 54.53 H new ATOM 1366 N ASP A 92 -21.676 1.238 -0.451 1.00 13.21 N ATOM 1367 CA ASP A 92 -22.958 0.545 -0.503 1.00 54.22 C ATOM 1368 C ASP A 92 -23.128 -0.164 -1.867 1.00 22.12 C ATOM 1369 O ASP A 92 -23.658 -1.271 -1.950 1.00 33.14 O ATOM 1370 CB ASP A 92 -24.082 1.563 -0.284 1.00 24.41 C ATOM 1371 CG ASP A 92 -25.461 0.950 -0.216 1.00 30.21 C ATOM 1372 OD1 ASP A 92 -25.889 0.565 0.875 1.00 51.24 O ATOM 1373 OD2 ASP A 92 -26.145 0.884 -1.237 1.00 65.10 O ATOM 0 H ASP A 92 -21.751 2.243 -0.291 1.00 13.21 H new ATOM 0 HA ASP A 92 -22.998 -0.213 0.279 1.00 54.22 H new ATOM 0 HB2 ASP A 92 -23.891 2.106 0.641 1.00 24.41 H new ATOM 0 HB3 ASP A 92 -24.060 2.293 -1.093 1.00 24.41 H new ATOM 1378 N ALA A 93 -22.659 0.483 -2.922 1.00 23.40 N ATOM 1379 CA ALA A 93 -22.696 -0.086 -4.266 1.00 15.42 C ATOM 1380 C ALA A 93 -21.654 -1.200 -4.432 1.00 62.30 C ATOM 1381 O ALA A 93 -21.873 -2.163 -5.170 1.00 72.52 O ATOM 1382 CB ALA A 93 -22.476 0.998 -5.308 1.00 44.43 C ATOM 0 H ALA A 93 -22.243 1.413 -2.875 1.00 23.40 H new ATOM 0 HA ALA A 93 -23.683 -0.524 -4.413 1.00 15.42 H new ATOM 0 HB1 ALA A 93 -22.507 0.557 -6.304 1.00 44.43 H new ATOM 0 HB2 ALA A 93 -23.259 1.751 -5.221 1.00 44.43 H new ATOM 0 HB3 ALA A 93 -21.504 1.465 -5.148 1.00 44.43 H new ATOM 1388 N ALA A 94 -20.541 -1.066 -3.729 1.00 15.00 N ATOM 1389 CA ALA A 94 -19.440 -2.020 -3.820 1.00 22.12 C ATOM 1390 C ALA A 94 -19.757 -3.303 -3.053 1.00 71.11 C ATOM 1391 O ALA A 94 -19.468 -4.397 -3.513 1.00 42.15 O ATOM 1392 CB ALA A 94 -18.146 -1.389 -3.321 1.00 35.11 C ATOM 0 H ALA A 94 -20.372 -0.297 -3.081 1.00 15.00 H new ATOM 0 HA ALA A 94 -19.308 -2.288 -4.868 1.00 22.12 H new ATOM 0 HB1 ALA A 94 -17.335 -2.114 -3.396 1.00 35.11 H new ATOM 0 HB2 ALA A 94 -17.909 -0.516 -3.929 1.00 35.11 H new ATOM 0 HB3 ALA A 94 -18.267 -1.085 -2.281 1.00 35.11 H new ATOM 1398 N VAL A 95 -20.357 -3.152 -1.876 1.00 64.15 N ATOM 1399 CA VAL A 95 -20.761 -4.302 -1.043 1.00 62.22 C ATOM 1400 C VAL A 95 -21.772 -5.207 -1.739 1.00 3.01 C ATOM 1401 O VAL A 95 -21.901 -6.368 -1.401 1.00 31.23 O ATOM 1402 CB VAL A 95 -21.259 -3.906 0.371 1.00 30.33 C ATOM 1403 CG1 VAL A 95 -20.194 -3.164 1.131 1.00 52.44 C ATOM 1404 CG2 VAL A 95 -22.559 -3.119 0.325 1.00 12.42 C ATOM 0 H VAL A 95 -20.579 -2.244 -1.468 1.00 64.15 H new ATOM 0 HA VAL A 95 -19.843 -4.872 -0.902 1.00 62.22 H new ATOM 0 HB VAL A 95 -21.472 -4.831 0.906 1.00 30.33 H new ATOM 0 HG11 VAL A 95 -20.570 -2.898 2.119 1.00 52.44 H new ATOM 0 HG12 VAL A 95 -19.314 -3.798 1.236 1.00 52.44 H new ATOM 0 HG13 VAL A 95 -19.925 -2.257 0.589 1.00 52.44 H new ATOM 0 HG21 VAL A 95 -22.867 -2.865 1.339 1.00 12.42 H new ATOM 0 HG22 VAL A 95 -22.410 -2.204 -0.249 1.00 12.42 H new ATOM 0 HG23 VAL A 95 -23.333 -3.723 -0.149 1.00 12.42 H new ATOM 1414 N ALA A 96 -22.479 -4.672 -2.721 1.00 40.33 N ATOM 1415 CA ALA A 96 -23.427 -5.463 -3.509 1.00 35.43 C ATOM 1416 C ALA A 96 -22.681 -6.453 -4.407 1.00 5.52 C ATOM 1417 O ALA A 96 -23.270 -7.349 -5.001 1.00 22.32 O ATOM 1418 CB ALA A 96 -24.288 -4.544 -4.357 1.00 33.52 C ATOM 0 H ALA A 96 -22.418 -3.692 -2.996 1.00 40.33 H new ATOM 0 HA ALA A 96 -24.065 -6.024 -2.826 1.00 35.43 H new ATOM 0 HB1 ALA A 96 -24.991 -5.139 -4.940 1.00 33.52 H new ATOM 0 HB2 ALA A 96 -24.840 -3.863 -3.710 1.00 33.52 H new ATOM 0 HB3 ALA A 96 -23.653 -3.969 -5.031 1.00 33.52 H new ATOM 1424 N MET A 97 -21.391 -6.276 -4.488 1.00 75.51 N ATOM 1425 CA MET A 97 -20.543 -7.087 -5.315 1.00 65.23 C ATOM 1426 C MET A 97 -19.658 -7.936 -4.396 1.00 5.05 C ATOM 1427 O MET A 97 -18.729 -8.600 -4.856 1.00 0.34 O ATOM 1428 CB MET A 97 -19.696 -6.136 -6.180 1.00 72.21 C ATOM 1429 CG MET A 97 -19.204 -6.696 -7.492 1.00 32.33 C ATOM 1430 SD MET A 97 -18.403 -5.438 -8.533 1.00 34.20 S ATOM 1431 CE MET A 97 -17.313 -4.633 -7.362 1.00 74.52 C ATOM 0 H MET A 97 -20.892 -5.551 -3.972 1.00 75.51 H new ATOM 0 HA MET A 97 -21.111 -7.752 -5.965 1.00 65.23 H new ATOM 0 HB2 MET A 97 -20.286 -5.243 -6.387 1.00 72.21 H new ATOM 0 HB3 MET A 97 -18.832 -5.819 -5.596 1.00 72.21 H new ATOM 0 HG2 MET A 97 -18.498 -7.503 -7.296 1.00 32.33 H new ATOM 0 HG3 MET A 97 -20.043 -7.131 -8.035 1.00 32.33 H new ATOM 0 HE1 MET A 97 -16.648 -3.952 -7.893 1.00 74.52 H new ATOM 0 HE2 MET A 97 -17.906 -4.072 -6.640 1.00 74.52 H new ATOM 0 HE3 MET A 97 -16.721 -5.385 -6.840 1.00 74.52 H new ATOM 1441 N ASP A 98 -19.970 -7.883 -3.065 1.00 40.32 N ATOM 1442 CA ASP A 98 -19.198 -8.578 -2.005 1.00 4.42 C ATOM 1443 C ASP A 98 -18.827 -9.966 -2.332 1.00 60.41 C ATOM 1444 O ASP A 98 -17.711 -10.358 -2.067 1.00 44.14 O ATOM 1445 CB ASP A 98 -19.853 -8.521 -0.595 1.00 50.30 C ATOM 1446 CG ASP A 98 -20.863 -9.616 -0.279 1.00 11.32 C ATOM 1447 OD1 ASP A 98 -22.014 -9.525 -0.719 1.00 12.12 O ATOM 1448 OD2 ASP A 98 -20.506 -10.573 0.477 1.00 12.34 O ATOM 0 H ASP A 98 -20.765 -7.355 -2.705 1.00 40.32 H new ATOM 0 HA ASP A 98 -18.278 -7.995 -1.965 1.00 4.42 H new ATOM 0 HB2 ASP A 98 -19.061 -8.559 0.153 1.00 50.30 H new ATOM 0 HB3 ASP A 98 -20.348 -7.556 -0.486 1.00 50.30 H new ATOM 1453 N GLU A 99 -19.714 -10.729 -2.864 1.00 3.00 N ATOM 1454 CA GLU A 99 -19.367 -12.033 -3.195 1.00 20.24 C ATOM 1455 C GLU A 99 -19.616 -12.279 -4.671 1.00 10.24 C ATOM 1456 O GLU A 99 -20.739 -12.523 -5.123 1.00 5.52 O ATOM 1457 CB GLU A 99 -20.097 -12.959 -2.270 1.00 52.24 C ATOM 1458 CG GLU A 99 -19.726 -14.398 -2.336 1.00 55.41 C ATOM 1459 CD GLU A 99 -20.329 -15.091 -1.176 1.00 54.41 C ATOM 1460 OE1 GLU A 99 -21.512 -14.867 -0.918 1.00 14.01 O ATOM 1461 OE2 GLU A 99 -19.631 -15.855 -0.483 1.00 70.22 O ATOM 0 H GLU A 99 -20.676 -10.460 -3.072 1.00 3.00 H new ATOM 0 HA GLU A 99 -18.302 -12.220 -3.056 1.00 20.24 H new ATOM 0 HB2 GLU A 99 -19.939 -12.613 -1.248 1.00 52.24 H new ATOM 0 HB3 GLU A 99 -21.164 -12.873 -2.475 1.00 52.24 H new ATOM 0 HG2 GLU A 99 -20.081 -14.839 -3.267 1.00 55.41 H new ATOM 0 HG3 GLU A 99 -18.642 -14.511 -2.323 1.00 55.41 H new ATOM 1468 N THR A 100 -18.548 -12.177 -5.391 1.00 72.54 N ATOM 1469 CA THR A 100 -18.539 -12.279 -6.828 1.00 72.01 C ATOM 1470 C THR A 100 -17.338 -13.058 -7.311 1.00 30.55 C ATOM 1471 O THR A 100 -16.453 -13.401 -6.523 1.00 73.40 O ATOM 1472 CB THR A 100 -18.589 -10.887 -7.503 1.00 53.24 C ATOM 1473 OG1 THR A 100 -17.618 -10.010 -6.905 1.00 1.03 O ATOM 1474 CG2 THR A 100 -19.983 -10.274 -7.423 1.00 63.11 C ATOM 0 H THR A 100 -17.624 -12.015 -4.991 1.00 72.54 H new ATOM 0 HA THR A 100 -19.440 -12.820 -7.116 1.00 72.01 H new ATOM 0 HB THR A 100 -18.348 -11.018 -8.558 1.00 53.24 H new ATOM 0 HG1 THR A 100 -18.035 -9.511 -6.172 1.00 1.03 H new ATOM 0 HG21 THR A 100 -19.979 -9.297 -7.907 1.00 63.11 H new ATOM 0 HG22 THR A 100 -20.697 -10.926 -7.927 1.00 63.11 H new ATOM 0 HG23 THR A 100 -20.271 -10.160 -6.378 1.00 63.11 H new ATOM 1482 N VAL A 101 -17.292 -13.333 -8.582 1.00 72.43 N ATOM 1483 CA VAL A 101 -16.206 -14.069 -9.133 1.00 61.34 C ATOM 1484 C VAL A 101 -15.366 -13.166 -10.036 1.00 72.02 C ATOM 1485 O VAL A 101 -15.808 -12.688 -11.091 1.00 12.22 O ATOM 1486 CB VAL A 101 -16.669 -15.388 -9.832 1.00 72.02 C ATOM 1487 CG1 VAL A 101 -17.701 -15.127 -10.903 1.00 63.30 C ATOM 1488 CG2 VAL A 101 -15.489 -16.162 -10.390 1.00 73.15 C ATOM 0 H VAL A 101 -18.004 -13.053 -9.257 1.00 72.43 H new ATOM 0 HA VAL A 101 -15.566 -14.401 -8.316 1.00 61.34 H new ATOM 0 HB VAL A 101 -17.143 -16.003 -9.067 1.00 72.02 H new ATOM 0 HG11 VAL A 101 -17.995 -16.071 -11.363 1.00 63.30 H new ATOM 0 HG12 VAL A 101 -18.575 -14.653 -10.458 1.00 63.30 H new ATOM 0 HG13 VAL A 101 -17.279 -14.469 -11.663 1.00 63.30 H new ATOM 0 HG21 VAL A 101 -15.846 -17.074 -10.869 1.00 73.15 H new ATOM 0 HG22 VAL A 101 -14.965 -15.548 -11.122 1.00 73.15 H new ATOM 0 HG23 VAL A 101 -14.808 -16.421 -9.580 1.00 73.15 H new ATOM 1498 N PHE A 102 -14.183 -12.923 -9.591 1.00 64.52 N ATOM 1499 CA PHE A 102 -13.258 -12.030 -10.213 1.00 25.45 C ATOM 1500 C PHE A 102 -12.014 -12.819 -10.547 1.00 23.11 C ATOM 1501 O PHE A 102 -11.471 -13.492 -9.681 1.00 30.11 O ATOM 1502 CB PHE A 102 -12.939 -10.939 -9.188 1.00 73.42 C ATOM 1503 CG PHE A 102 -12.031 -9.835 -9.628 1.00 14.55 C ATOM 1504 CD1 PHE A 102 -10.659 -9.971 -9.568 1.00 14.43 C ATOM 1505 CD2 PHE A 102 -12.557 -8.643 -10.070 1.00 30.24 C ATOM 1506 CE1 PHE A 102 -9.834 -8.939 -9.948 1.00 14.24 C ATOM 1507 CE2 PHE A 102 -11.740 -7.610 -10.455 1.00 62.32 C ATOM 1508 CZ PHE A 102 -10.375 -7.755 -10.392 1.00 12.11 C ATOM 0 H PHE A 102 -13.814 -13.359 -8.746 1.00 64.52 H new ATOM 0 HA PHE A 102 -13.654 -11.582 -11.124 1.00 25.45 H new ATOM 0 HB2 PHE A 102 -13.880 -10.494 -8.864 1.00 73.42 H new ATOM 0 HB3 PHE A 102 -12.494 -11.415 -8.315 1.00 73.42 H new ATOM 0 HD1 PHE A 102 -10.229 -10.898 -9.219 1.00 14.43 H new ATOM 0 HD2 PHE A 102 -13.629 -8.519 -10.115 1.00 30.24 H new ATOM 0 HE1 PHE A 102 -8.762 -9.058 -9.898 1.00 14.24 H new ATOM 0 HE2 PHE A 102 -12.169 -6.684 -10.807 1.00 62.32 H new ATOM 0 HZ PHE A 102 -9.729 -6.942 -10.690 1.00 12.11 H new ATOM 1518 N ARG A 103 -11.588 -12.770 -11.802 1.00 41.55 N ATOM 1519 CA ARG A 103 -10.385 -13.480 -12.276 1.00 75.23 C ATOM 1520 C ARG A 103 -10.542 -15.009 -12.023 1.00 71.43 C ATOM 1521 O ARG A 103 -9.577 -15.734 -11.787 1.00 53.44 O ATOM 1522 CB ARG A 103 -9.154 -12.905 -11.539 1.00 14.24 C ATOM 1523 CG ARG A 103 -7.813 -13.330 -12.099 1.00 4.13 C ATOM 1524 CD ARG A 103 -6.689 -12.765 -11.267 1.00 65.50 C ATOM 1525 NE ARG A 103 -5.376 -13.121 -11.799 1.00 14.30 N ATOM 1526 CZ ARG A 103 -4.588 -14.071 -11.287 1.00 32.45 C ATOM 1527 NH1 ARG A 103 -5.074 -14.923 -10.389 1.00 4.05 N ATOM 1528 NH2 ARG A 103 -3.343 -14.211 -11.725 1.00 20.41 N ATOM 0 H ARG A 103 -12.062 -12.237 -12.531 1.00 41.55 H new ATOM 0 HA ARG A 103 -10.251 -13.337 -13.348 1.00 75.23 H new ATOM 0 HB2 ARG A 103 -9.212 -11.817 -11.563 1.00 14.24 H new ATOM 0 HB3 ARG A 103 -9.204 -13.204 -10.492 1.00 14.24 H new ATOM 0 HG2 ARG A 103 -7.748 -14.418 -12.117 1.00 4.13 H new ATOM 0 HG3 ARG A 103 -7.718 -12.988 -13.130 1.00 4.13 H new ATOM 0 HD2 ARG A 103 -6.780 -11.680 -11.225 1.00 65.50 H new ATOM 0 HD3 ARG A 103 -6.776 -13.132 -10.244 1.00 65.50 H new ATOM 0 HE ARG A 103 -5.038 -12.611 -12.615 1.00 14.30 H new ATOM 0 HH11 ARG A 103 -6.047 -14.851 -10.092 1.00 4.05 H new ATOM 0 HH12 ARG A 103 -4.474 -15.649 -9.997 1.00 4.05 H new ATOM 0 HH21 ARG A 103 -2.986 -13.593 -12.454 1.00 20.41 H new ATOM 0 HH22 ARG A 103 -2.743 -14.937 -11.333 1.00 20.41 H new ATOM 1542 N GLY A 104 -11.778 -15.475 -12.121 1.00 64.44 N ATOM 1543 CA GLY A 104 -12.076 -16.895 -11.953 1.00 51.44 C ATOM 1544 C GLY A 104 -12.136 -17.348 -10.490 1.00 34.33 C ATOM 1545 O GLY A 104 -12.371 -18.521 -10.206 1.00 72.44 O ATOM 0 H GLY A 104 -12.593 -14.893 -12.316 1.00 64.44 H new ATOM 0 HA2 GLY A 104 -13.031 -17.115 -12.431 1.00 51.44 H new ATOM 0 HA3 GLY A 104 -11.317 -17.480 -12.473 1.00 51.44 H new ATOM 1549 N ARG A 105 -11.950 -16.428 -9.571 1.00 3.24 N ATOM 1550 CA ARG A 105 -11.981 -16.746 -8.150 1.00 14.42 C ATOM 1551 C ARG A 105 -12.974 -15.847 -7.430 1.00 50.05 C ATOM 1552 O ARG A 105 -13.245 -14.749 -7.878 1.00 64.33 O ATOM 1553 CB ARG A 105 -10.583 -16.619 -7.523 1.00 32.14 C ATOM 1554 CG ARG A 105 -9.912 -15.273 -7.767 1.00 74.32 C ATOM 1555 CD ARG A 105 -8.625 -15.128 -6.988 1.00 33.44 C ATOM 1556 NE ARG A 105 -7.646 -16.182 -7.263 1.00 24.41 N ATOM 1557 CZ ARG A 105 -6.671 -16.527 -6.415 1.00 5.51 C ATOM 1558 NH1 ARG A 105 -6.584 -15.919 -5.242 1.00 73.20 N ATOM 1559 NH2 ARG A 105 -5.794 -17.468 -6.741 1.00 74.11 N ATOM 0 H ARG A 105 -11.774 -15.445 -9.778 1.00 3.24 H new ATOM 0 HA ARG A 105 -12.303 -17.781 -8.040 1.00 14.42 H new ATOM 0 HB2 ARG A 105 -10.662 -16.784 -6.448 1.00 32.14 H new ATOM 0 HB3 ARG A 105 -9.945 -17.408 -7.921 1.00 32.14 H new ATOM 0 HG2 ARG A 105 -9.705 -15.159 -8.831 1.00 74.32 H new ATOM 0 HG3 ARG A 105 -10.596 -14.472 -7.488 1.00 74.32 H new ATOM 0 HD2 ARG A 105 -8.178 -14.161 -7.219 1.00 33.44 H new ATOM 0 HD3 ARG A 105 -8.854 -15.127 -5.922 1.00 33.44 H new ATOM 0 HE ARG A 105 -7.711 -16.681 -8.150 1.00 24.41 H new ATOM 0 HH11 ARG A 105 -7.257 -15.195 -4.992 1.00 73.20 H new ATOM 0 HH12 ARG A 105 -5.844 -16.175 -4.588 1.00 73.20 H new ATOM 0 HH21 ARG A 105 -5.860 -17.935 -7.645 1.00 74.11 H new ATOM 0 HH22 ARG A 105 -5.054 -17.724 -6.087 1.00 74.11 H new ATOM 1573 N THR A 106 -13.504 -16.304 -6.342 1.00 62.21 N ATOM 1574 CA THR A 106 -14.476 -15.536 -5.607 1.00 2.03 C ATOM 1575 C THR A 106 -13.760 -14.483 -4.764 1.00 22.45 C ATOM 1576 O THR A 106 -12.932 -14.822 -3.929 1.00 62.24 O ATOM 1577 CB THR A 106 -15.278 -16.469 -4.667 1.00 12.13 C ATOM 1578 OG1 THR A 106 -15.800 -17.582 -5.427 1.00 12.15 O ATOM 1579 CG2 THR A 106 -16.438 -15.728 -4.013 1.00 1.33 C ATOM 0 H THR A 106 -13.283 -17.212 -5.934 1.00 62.21 H new ATOM 0 HA THR A 106 -15.154 -15.052 -6.310 1.00 2.03 H new ATOM 0 HB THR A 106 -14.606 -16.823 -3.885 1.00 12.13 H new ATOM 0 HG1 THR A 106 -16.307 -18.175 -4.833 1.00 12.15 H new ATOM 0 HG21 THR A 106 -16.982 -16.409 -3.359 1.00 1.33 H new ATOM 0 HG22 THR A 106 -16.053 -14.893 -3.428 1.00 1.33 H new ATOM 0 HG23 THR A 106 -17.110 -15.351 -4.784 1.00 1.33 H new ATOM 1587 N ILE A 107 -14.046 -13.224 -4.996 1.00 13.20 N ATOM 1588 CA ILE A 107 -13.477 -12.200 -4.160 1.00 1.11 C ATOM 1589 C ILE A 107 -14.506 -11.709 -3.186 1.00 0.44 C ATOM 1590 O ILE A 107 -15.708 -11.883 -3.409 1.00 64.42 O ATOM 1591 CB ILE A 107 -12.743 -11.041 -4.964 1.00 3.02 C ATOM 1592 CG1 ILE A 107 -13.655 -10.250 -5.952 1.00 42.22 C ATOM 1593 CG2 ILE A 107 -11.524 -11.584 -5.695 1.00 25.11 C ATOM 1594 CD1 ILE A 107 -14.451 -9.093 -5.356 1.00 54.42 C ATOM 0 H ILE A 107 -14.657 -12.890 -5.742 1.00 13.20 H new ATOM 0 HA ILE A 107 -12.666 -12.651 -3.588 1.00 1.11 H new ATOM 0 HB ILE A 107 -12.438 -10.320 -4.206 1.00 3.02 H new ATOM 0 HG12 ILE A 107 -13.031 -9.858 -6.755 1.00 42.22 H new ATOM 0 HG13 ILE A 107 -14.356 -10.950 -6.406 1.00 42.22 H new ATOM 0 HG21 ILE A 107 -11.036 -10.775 -6.239 1.00 25.11 H new ATOM 0 HG22 ILE A 107 -10.826 -12.009 -4.973 1.00 25.11 H new ATOM 0 HG23 ILE A 107 -11.835 -12.357 -6.397 1.00 25.11 H new ATOM 0 HD11 ILE A 107 -15.046 -8.620 -6.137 1.00 54.42 H new ATOM 0 HD12 ILE A 107 -15.111 -9.470 -4.575 1.00 54.42 H new ATOM 0 HD13 ILE A 107 -13.765 -8.361 -4.930 1.00 54.42 H new ATOM 1606 N LYS A 108 -14.051 -11.118 -2.123 1.00 32.43 N ATOM 1607 CA LYS A 108 -14.911 -10.770 -1.021 1.00 65.24 C ATOM 1608 C LYS A 108 -14.804 -9.301 -0.754 1.00 10.51 C ATOM 1609 O LYS A 108 -13.708 -8.789 -0.637 1.00 53.51 O ATOM 1610 CB LYS A 108 -14.490 -11.576 0.231 1.00 50.14 C ATOM 1611 CG LYS A 108 -15.316 -11.312 1.491 1.00 23.51 C ATOM 1612 CD LYS A 108 -16.779 -11.648 1.273 1.00 63.45 C ATOM 1613 CE LYS A 108 -17.593 -11.465 2.533 1.00 31.23 C ATOM 1614 NZ LYS A 108 -19.008 -11.828 2.322 1.00 44.32 N ATOM 0 H LYS A 108 -13.073 -10.861 -1.990 1.00 32.43 H new ATOM 0 HA LYS A 108 -15.946 -11.011 -1.266 1.00 65.24 H new ATOM 0 HB2 LYS A 108 -14.549 -12.638 -0.005 1.00 50.14 H new ATOM 0 HB3 LYS A 108 -13.445 -11.356 0.449 1.00 50.14 H new ATOM 0 HG2 LYS A 108 -14.924 -11.906 2.316 1.00 23.51 H new ATOM 0 HG3 LYS A 108 -15.220 -10.265 1.778 1.00 23.51 H new ATOM 0 HD2 LYS A 108 -17.183 -11.014 0.484 1.00 63.45 H new ATOM 0 HD3 LYS A 108 -16.868 -12.679 0.930 1.00 63.45 H new ATOM 0 HE2 LYS A 108 -17.174 -12.079 3.330 1.00 31.23 H new ATOM 0 HE3 LYS A 108 -17.528 -10.428 2.862 1.00 31.23 H new ATOM 0 HZ1 LYS A 108 -19.500 -11.854 3.238 1.00 44.32 H new ATOM 0 HZ2 LYS A 108 -19.460 -11.122 1.707 1.00 44.32 H new ATOM 0 HZ3 LYS A 108 -19.063 -12.764 1.873 1.00 44.32 H new ATOM 1628 N VAL A 109 -15.924 -8.629 -0.660 1.00 13.44 N ATOM 1629 CA VAL A 109 -15.922 -7.216 -0.380 1.00 42.24 C ATOM 1630 C VAL A 109 -16.653 -6.977 0.934 1.00 12.55 C ATOM 1631 O VAL A 109 -17.745 -7.467 1.134 1.00 51.54 O ATOM 1632 CB VAL A 109 -16.575 -6.360 -1.522 1.00 32.31 C ATOM 1633 CG1 VAL A 109 -16.389 -4.874 -1.293 1.00 62.13 C ATOM 1634 CG2 VAL A 109 -16.078 -6.777 -2.901 1.00 0.45 C ATOM 0 H VAL A 109 -16.851 -9.039 -0.774 1.00 13.44 H new ATOM 0 HA VAL A 109 -14.883 -6.894 -0.312 1.00 42.24 H new ATOM 0 HB VAL A 109 -17.646 -6.560 -1.490 1.00 32.31 H new ATOM 0 HG11 VAL A 109 -16.856 -4.319 -2.107 1.00 62.13 H new ATOM 0 HG12 VAL A 109 -16.852 -4.591 -0.348 1.00 62.13 H new ATOM 0 HG13 VAL A 109 -15.325 -4.641 -1.259 1.00 62.13 H new ATOM 0 HG21 VAL A 109 -16.555 -6.159 -3.662 1.00 0.45 H new ATOM 0 HG22 VAL A 109 -14.997 -6.646 -2.953 1.00 0.45 H new ATOM 0 HG23 VAL A 109 -16.326 -7.824 -3.076 1.00 0.45 H new ATOM 1644 N LEU A 110 -16.039 -6.276 1.832 1.00 32.34 N ATOM 1645 CA LEU A 110 -16.638 -5.960 3.106 1.00 22.15 C ATOM 1646 C LEU A 110 -16.608 -4.485 3.303 1.00 11.31 C ATOM 1647 O LEU A 110 -15.648 -3.848 2.927 1.00 64.45 O ATOM 1648 CB LEU A 110 -15.867 -6.619 4.249 1.00 14.02 C ATOM 1649 CG LEU A 110 -15.928 -8.124 4.331 1.00 74.32 C ATOM 1650 CD1 LEU A 110 -15.015 -8.625 5.441 1.00 61.55 C ATOM 1651 CD2 LEU A 110 -17.364 -8.552 4.594 1.00 51.44 C ATOM 0 H LEU A 110 -15.099 -5.899 1.709 1.00 32.34 H new ATOM 0 HA LEU A 110 -17.663 -6.332 3.109 1.00 22.15 H new ATOM 0 HB2 LEU A 110 -14.821 -6.325 4.167 1.00 14.02 H new ATOM 0 HB3 LEU A 110 -16.239 -6.212 5.189 1.00 14.02 H new ATOM 0 HG LEU A 110 -15.590 -8.555 3.388 1.00 74.32 H new ATOM 0 HD11 LEU A 110 -15.067 -9.713 5.492 1.00 61.55 H new ATOM 0 HD12 LEU A 110 -13.989 -8.320 5.234 1.00 61.55 H new ATOM 0 HD13 LEU A 110 -15.334 -8.202 6.393 1.00 61.55 H new ATOM 0 HD21 LEU A 110 -17.414 -9.639 4.654 1.00 51.44 H new ATOM 0 HD22 LEU A 110 -17.706 -8.120 5.535 1.00 51.44 H new ATOM 0 HD23 LEU A 110 -18.002 -8.204 3.782 1.00 51.44 H new ATOM 1663 N PRO A 111 -17.638 -3.913 3.867 1.00 4.31 N ATOM 1664 CA PRO A 111 -17.658 -2.499 4.142 1.00 30.42 C ATOM 1665 C PRO A 111 -16.808 -2.147 5.351 1.00 20.02 C ATOM 1666 O PRO A 111 -16.803 -2.851 6.373 1.00 51.21 O ATOM 1667 CB PRO A 111 -19.125 -2.212 4.452 1.00 72.23 C ATOM 1668 CG PRO A 111 -19.647 -3.496 4.982 1.00 33.31 C ATOM 1669 CD PRO A 111 -18.887 -4.581 4.276 1.00 72.34 C ATOM 0 HA PRO A 111 -17.259 -1.920 3.309 1.00 30.42 H new ATOM 0 HB2 PRO A 111 -19.227 -1.409 5.182 1.00 72.23 H new ATOM 0 HB3 PRO A 111 -19.667 -1.901 3.559 1.00 72.23 H new ATOM 0 HG2 PRO A 111 -19.503 -3.559 6.061 1.00 33.31 H new ATOM 0 HG3 PRO A 111 -20.717 -3.587 4.797 1.00 33.31 H new ATOM 0 HD2 PRO A 111 -18.693 -5.428 4.933 1.00 72.34 H new ATOM 0 HD3 PRO A 111 -19.438 -4.964 3.417 1.00 72.34 H new ATOM 1677 N LYS A 112 -16.077 -1.108 5.227 1.00 2.15 N ATOM 1678 CA LYS A 112 -15.388 -0.549 6.324 1.00 73.34 C ATOM 1679 C LYS A 112 -16.275 0.569 6.780 1.00 54.51 C ATOM 1680 O LYS A 112 -16.615 1.429 5.989 1.00 12.31 O ATOM 1681 CB LYS A 112 -14.017 -0.042 5.872 1.00 1.32 C ATOM 1682 CG LYS A 112 -13.206 0.744 6.910 1.00 62.43 C ATOM 1683 CD LYS A 112 -12.770 -0.053 8.158 1.00 55.33 C ATOM 1684 CE LYS A 112 -11.774 -1.176 7.860 1.00 63.31 C ATOM 1685 NZ LYS A 112 -12.407 -2.406 7.314 1.00 13.21 N ATOM 0 H LYS A 112 -15.937 -0.613 4.346 1.00 2.15 H new ATOM 0 HA LYS A 112 -15.195 -1.261 7.127 1.00 73.34 H new ATOM 0 HB2 LYS A 112 -13.424 -0.899 5.552 1.00 1.32 H new ATOM 0 HB3 LYS A 112 -14.158 0.592 4.997 1.00 1.32 H new ATOM 0 HG2 LYS A 112 -12.314 1.140 6.424 1.00 62.43 H new ATOM 0 HG3 LYS A 112 -13.798 1.599 7.236 1.00 62.43 H new ATOM 0 HD2 LYS A 112 -12.324 0.633 8.878 1.00 55.33 H new ATOM 0 HD3 LYS A 112 -13.654 -0.481 8.631 1.00 55.33 H new ATOM 0 HE2 LYS A 112 -11.033 -0.813 7.148 1.00 63.31 H new ATOM 0 HE3 LYS A 112 -11.240 -1.429 8.776 1.00 63.31 H new ATOM 0 HZ1 LYS A 112 -11.967 -3.244 7.746 1.00 13.21 H new ATOM 0 HZ2 LYS A 112 -13.424 -2.399 7.531 1.00 13.21 H new ATOM 0 HZ3 LYS A 112 -12.273 -2.437 6.283 1.00 13.21 H new ATOM 2166 N GLY B 21 -7.450 -5.956 9.045 1.00 63.20 N ATOM 2167 CA GLY B 21 -8.902 -5.986 8.961 1.00 54.14 C ATOM 2168 C GLY B 21 -9.502 -7.260 9.489 1.00 21.13 C ATOM 2169 O GLY B 21 -9.343 -7.572 10.662 1.00 53.04 O ATOM 0 HA2 GLY B 21 -9.309 -5.142 9.519 1.00 54.14 H new ATOM 0 HA3 GLY B 21 -9.202 -5.855 7.921 1.00 54.14 H new ATOM 2173 N PRO B 22 -10.232 -8.003 8.625 1.00 50.32 N ATOM 2174 CA PRO B 22 -10.876 -9.281 8.983 1.00 12.10 C ATOM 2175 C PRO B 22 -9.939 -10.346 9.643 1.00 21.33 C ATOM 2176 O PRO B 22 -10.362 -10.984 10.608 1.00 1.23 O ATOM 2177 CB PRO B 22 -11.447 -9.784 7.652 1.00 34.04 C ATOM 2178 CG PRO B 22 -11.645 -8.551 6.850 1.00 43.15 C ATOM 2179 CD PRO B 22 -10.520 -7.635 7.220 1.00 2.22 C ATOM 0 HA PRO B 22 -11.624 -9.120 9.760 1.00 12.10 H new ATOM 0 HB2 PRO B 22 -10.761 -10.473 7.160 1.00 34.04 H new ATOM 0 HB3 PRO B 22 -12.386 -10.319 7.798 1.00 34.04 H new ATOM 0 HG2 PRO B 22 -11.633 -8.773 5.783 1.00 43.15 H new ATOM 0 HG3 PRO B 22 -12.610 -8.093 7.069 1.00 43.15 H new ATOM 0 HD2 PRO B 22 -9.652 -7.784 6.579 1.00 2.22 H new ATOM 0 HD3 PRO B 22 -10.807 -6.587 7.129 1.00 2.22 H new ATOM 2187 N PRO B 23 -8.672 -10.594 9.130 1.00 3.42 N ATOM 2188 CA PRO B 23 -7.750 -11.549 9.769 1.00 14.44 C ATOM 2189 C PRO B 23 -7.533 -11.244 11.256 1.00 23.10 C ATOM 2190 O PRO B 23 -7.556 -10.083 11.693 1.00 13.51 O ATOM 2191 CB PRO B 23 -6.435 -11.389 8.983 1.00 42.15 C ATOM 2192 CG PRO B 23 -6.595 -10.127 8.212 1.00 70.03 C ATOM 2193 CD PRO B 23 -8.055 -10.005 7.927 1.00 11.43 C ATOM 0 HA PRO B 23 -8.145 -12.565 9.742 1.00 14.44 H new ATOM 0 HB2 PRO B 23 -5.578 -11.335 9.655 1.00 42.15 H new ATOM 0 HB3 PRO B 23 -6.266 -12.237 8.320 1.00 42.15 H new ATOM 0 HG2 PRO B 23 -6.236 -9.271 8.784 1.00 70.03 H new ATOM 0 HG3 PRO B 23 -6.018 -10.158 7.288 1.00 70.03 H new ATOM 0 HD2 PRO B 23 -8.354 -8.966 7.786 1.00 11.43 H new ATOM 0 HD3 PRO B 23 -8.337 -10.544 7.022 1.00 11.43 H new ATOM 2201 N GLN B 24 -7.345 -12.287 12.014 1.00 41.33 N ATOM 2202 CA GLN B 24 -7.169 -12.197 13.432 1.00 23.53 C ATOM 2203 C GLN B 24 -5.810 -11.568 13.780 1.00 71.22 C ATOM 2204 O GLN B 24 -4.845 -11.691 13.008 1.00 41.42 O ATOM 2205 CB GLN B 24 -7.340 -13.580 14.134 1.00 42.20 C ATOM 2206 CG GLN B 24 -6.385 -14.707 13.684 1.00 25.43 C ATOM 2207 CD GLN B 24 -6.753 -15.406 12.372 1.00 10.44 C ATOM 2208 OE1 GLN B 24 -7.351 -14.832 11.473 1.00 64.52 O ATOM 2209 NE2 GLN B 24 -6.399 -16.654 12.268 1.00 75.02 N ATOM 0 H GLN B 24 -7.309 -13.241 11.655 1.00 41.33 H new ATOM 0 HA GLN B 24 -7.956 -11.545 13.811 1.00 23.53 H new ATOM 0 HB2 GLN B 24 -7.214 -13.435 15.207 1.00 42.20 H new ATOM 0 HB3 GLN B 24 -8.364 -13.918 13.976 1.00 42.20 H new ATOM 0 HG2 GLN B 24 -5.383 -14.290 13.583 1.00 25.43 H new ATOM 0 HG3 GLN B 24 -6.340 -15.457 14.474 1.00 25.43 H new ATOM 0 HE21 GLN B 24 -5.901 -17.108 13.033 1.00 75.02 H new ATOM 0 HE22 GLN B 24 -6.620 -17.178 11.421 1.00 75.02 H new ATOM 2218 N PRO B 25 -5.720 -10.869 14.929 1.00 10.30 N ATOM 2219 CA PRO B 25 -4.488 -10.223 15.359 1.00 71.03 C ATOM 2220 C PRO B 25 -3.417 -11.227 15.732 1.00 31.12 C ATOM 2221 O PRO B 25 -3.598 -12.062 16.629 1.00 31.55 O ATOM 2222 CB PRO B 25 -4.889 -9.419 16.598 1.00 25.12 C ATOM 2223 CG PRO B 25 -6.370 -9.410 16.603 1.00 2.33 C ATOM 2224 CD PRO B 25 -6.803 -10.650 15.893 1.00 63.35 C ATOM 0 HA PRO B 25 -4.067 -9.613 14.560 1.00 71.03 H new ATOM 0 HB2 PRO B 25 -4.496 -9.876 17.506 1.00 25.12 H new ATOM 0 HB3 PRO B 25 -4.491 -8.405 16.554 1.00 25.12 H new ATOM 0 HG2 PRO B 25 -6.755 -9.392 17.623 1.00 2.33 H new ATOM 0 HG3 PRO B 25 -6.754 -8.522 16.102 1.00 2.33 H new ATOM 0 HD2 PRO B 25 -6.911 -11.491 16.578 1.00 63.35 H new ATOM 0 HD3 PRO B 25 -7.765 -10.517 15.397 1.00 63.35 H new ATOM 2232 N LEU B 26 -2.332 -11.162 15.028 1.00 61.42 N ATOM 2233 CA LEU B 26 -1.187 -11.992 15.305 1.00 40.33 C ATOM 2234 C LEU B 26 -0.411 -11.459 16.521 1.00 32.03 C ATOM 2235 O LEU B 26 -0.668 -10.341 16.973 1.00 43.33 O ATOM 2236 CB LEU B 26 -0.301 -12.257 14.028 1.00 64.40 C ATOM 2237 CG LEU B 26 0.365 -11.073 13.242 1.00 1.30 C ATOM 2238 CD1 LEU B 26 -0.621 -10.048 12.730 1.00 41.35 C ATOM 2239 CD2 LEU B 26 1.454 -10.421 14.032 1.00 41.33 C ATOM 0 H LEU B 26 -2.208 -10.529 14.238 1.00 61.42 H new ATOM 0 HA LEU B 26 -1.544 -12.984 15.583 1.00 40.33 H new ATOM 0 HB2 LEU B 26 0.502 -12.929 14.331 1.00 64.40 H new ATOM 0 HB3 LEU B 26 -0.922 -12.802 13.317 1.00 64.40 H new ATOM 0 HG LEU B 26 0.810 -11.533 12.360 1.00 1.30 H new ATOM 0 HD11 LEU B 26 -0.085 -9.262 12.198 1.00 41.35 H new ATOM 0 HD12 LEU B 26 -1.327 -10.529 12.052 1.00 41.35 H new ATOM 0 HD13 LEU B 26 -1.163 -9.613 13.570 1.00 41.35 H new ATOM 0 HD21 LEU B 26 1.888 -9.607 13.451 1.00 41.33 H new ATOM 0 HD22 LEU B 26 1.043 -10.025 14.961 1.00 41.33 H new ATOM 0 HD23 LEU B 26 2.227 -11.155 14.261 1.00 41.33 H new ATOM 2251 N SER B 27 0.519 -12.238 17.033 1.00 35.13 N ATOM 2252 CA SER B 27 1.211 -11.898 18.265 1.00 63.23 C ATOM 2253 C SER B 27 2.130 -10.682 18.136 1.00 20.11 C ATOM 2254 O SER B 27 2.710 -10.418 17.069 1.00 22.32 O ATOM 2255 CB SER B 27 1.977 -13.106 18.822 1.00 4.40 C ATOM 2256 OG SER B 27 2.672 -12.776 20.020 1.00 2.14 O ATOM 0 H SER B 27 0.817 -13.119 16.613 1.00 35.13 H new ATOM 0 HA SER B 27 0.433 -11.616 18.975 1.00 63.23 H new ATOM 0 HB2 SER B 27 1.280 -13.921 19.017 1.00 4.40 H new ATOM 0 HB3 SER B 27 2.686 -13.464 18.076 1.00 4.40 H new ATOM 0 HG SER B 27 3.148 -13.566 20.350 1.00 2.14 H new ATOM 2262 N ALA B 28 2.217 -9.949 19.244 1.00 13.52 N ATOM 2263 CA ALA B 28 3.059 -8.772 19.385 1.00 54.50 C ATOM 2264 C ALA B 28 4.467 -9.023 18.897 1.00 64.14 C ATOM 2265 O ALA B 28 4.991 -8.232 18.143 1.00 44.33 O ATOM 2266 CB ALA B 28 3.101 -8.297 20.829 1.00 0.43 C ATOM 0 H ALA B 28 1.688 -10.166 20.089 1.00 13.52 H new ATOM 0 HA ALA B 28 2.613 -7.995 18.764 1.00 54.50 H new ATOM 0 HB1 ALA B 28 3.738 -7.416 20.904 1.00 0.43 H new ATOM 0 HB2 ALA B 28 2.093 -8.045 21.159 1.00 0.43 H new ATOM 0 HB3 ALA B 28 3.502 -9.089 21.461 1.00 0.43 H new ATOM 2272 N GLU B 29 5.061 -10.148 19.289 1.00 14.31 N ATOM 2273 CA GLU B 29 6.438 -10.449 18.897 1.00 25.41 C ATOM 2274 C GLU B 29 6.605 -10.616 17.395 1.00 74.22 C ATOM 2275 O GLU B 29 7.620 -10.207 16.841 1.00 35.15 O ATOM 2276 CB GLU B 29 7.023 -11.617 19.674 1.00 14.14 C ATOM 2277 CG GLU B 29 7.270 -11.302 21.142 1.00 34.02 C ATOM 2278 CD GLU B 29 8.276 -10.191 21.331 1.00 51.24 C ATOM 2279 OE1 GLU B 29 9.424 -10.325 20.884 1.00 31.43 O ATOM 2280 OE2 GLU B 29 7.950 -9.189 21.958 1.00 72.31 O ATOM 0 H GLU B 29 4.618 -10.859 19.871 1.00 14.31 H new ATOM 0 HA GLU B 29 7.022 -9.570 19.170 1.00 25.41 H new ATOM 0 HB2 GLU B 29 6.346 -12.468 19.601 1.00 14.14 H new ATOM 0 HB3 GLU B 29 7.963 -11.917 19.211 1.00 14.14 H new ATOM 0 HG2 GLU B 29 6.329 -11.020 21.614 1.00 34.02 H new ATOM 0 HG3 GLU B 29 7.624 -12.200 21.649 1.00 34.02 H new ATOM 2287 N GLU B 30 5.616 -11.194 16.731 1.00 65.30 N ATOM 2288 CA GLU B 30 5.648 -11.270 15.274 1.00 72.33 C ATOM 2289 C GLU B 30 5.622 -9.878 14.679 1.00 53.55 C ATOM 2290 O GLU B 30 6.307 -9.603 13.701 1.00 70.44 O ATOM 2291 CB GLU B 30 4.502 -12.106 14.703 1.00 42.41 C ATOM 2292 CG GLU B 30 4.684 -13.613 14.751 1.00 70.34 C ATOM 2293 CD GLU B 30 4.878 -14.172 16.122 1.00 14.12 C ATOM 2294 OE1 GLU B 30 3.888 -14.349 16.835 1.00 64.31 O ATOM 2295 OE2 GLU B 30 6.022 -14.480 16.488 1.00 24.13 O ATOM 0 H GLU B 30 4.793 -11.612 17.166 1.00 65.30 H new ATOM 0 HA GLU B 30 6.577 -11.770 15.001 1.00 72.33 H new ATOM 0 HB2 GLU B 30 3.590 -11.853 15.245 1.00 42.41 H new ATOM 0 HB3 GLU B 30 4.348 -11.812 13.665 1.00 42.41 H new ATOM 0 HG2 GLU B 30 3.811 -14.086 14.300 1.00 70.34 H new ATOM 0 HG3 GLU B 30 5.544 -13.882 14.138 1.00 70.34 H new ATOM 2302 N LYS B 31 4.886 -8.983 15.324 1.00 15.35 N ATOM 2303 CA LYS B 31 4.766 -7.623 14.856 1.00 32.41 C ATOM 2304 C LYS B 31 6.092 -6.918 15.005 1.00 15.41 C ATOM 2305 O LYS B 31 6.524 -6.217 14.096 1.00 25.42 O ATOM 2306 CB LYS B 31 3.671 -6.858 15.616 1.00 11.12 C ATOM 2307 CG LYS B 31 2.289 -7.450 15.458 1.00 44.02 C ATOM 2308 CD LYS B 31 1.251 -6.674 16.238 1.00 75.15 C ATOM 2309 CE LYS B 31 -0.122 -7.308 16.094 1.00 2.44 C ATOM 2310 NZ LYS B 31 -1.150 -6.603 16.882 1.00 1.21 N ATOM 0 H LYS B 31 4.363 -9.183 16.177 1.00 15.35 H new ATOM 0 HA LYS B 31 4.480 -7.649 13.804 1.00 32.41 H new ATOM 0 HB2 LYS B 31 3.927 -6.834 16.675 1.00 11.12 H new ATOM 0 HB3 LYS B 31 3.655 -5.825 15.269 1.00 11.12 H new ATOM 0 HG2 LYS B 31 2.017 -7.461 14.403 1.00 44.02 H new ATOM 0 HG3 LYS B 31 2.297 -8.486 15.796 1.00 44.02 H new ATOM 0 HD2 LYS B 31 1.532 -6.640 17.291 1.00 75.15 H new ATOM 0 HD3 LYS B 31 1.219 -5.644 15.883 1.00 75.15 H new ATOM 0 HE2 LYS B 31 -0.411 -7.309 15.043 1.00 2.44 H new ATOM 0 HE3 LYS B 31 -0.074 -8.349 16.413 1.00 2.44 H new ATOM 0 HZ1 LYS B 31 -2.069 -7.072 16.752 1.00 1.21 H new ATOM 0 HZ2 LYS B 31 -0.890 -6.623 17.889 1.00 1.21 H new ATOM 0 HZ3 LYS B 31 -1.217 -5.616 16.562 1.00 1.21 H new ATOM 2324 N LYS B 32 6.747 -7.124 16.157 1.00 32.14 N ATOM 2325 CA LYS B 32 8.056 -6.532 16.466 1.00 64.44 C ATOM 2326 C LYS B 32 9.068 -6.881 15.374 1.00 45.35 C ATOM 2327 O LYS B 32 9.764 -6.018 14.860 1.00 63.22 O ATOM 2328 CB LYS B 32 8.589 -7.152 17.787 1.00 2.22 C ATOM 2329 CG LYS B 32 7.586 -7.189 18.947 1.00 54.21 C ATOM 2330 CD LYS B 32 7.161 -5.832 19.424 1.00 53.52 C ATOM 2331 CE LYS B 32 8.266 -5.172 20.191 1.00 52.33 C ATOM 2332 NZ LYS B 32 7.906 -3.812 20.629 1.00 41.42 N ATOM 0 H LYS B 32 6.380 -7.711 16.906 1.00 32.14 H new ATOM 0 HA LYS B 32 7.936 -5.451 16.544 1.00 64.44 H new ATOM 0 HB2 LYS B 32 8.921 -8.170 17.583 1.00 2.22 H new ATOM 0 HB3 LYS B 32 9.466 -6.589 18.105 1.00 2.22 H new ATOM 0 HG2 LYS B 32 6.703 -7.747 18.634 1.00 54.21 H new ATOM 0 HG3 LYS B 32 8.029 -7.735 19.780 1.00 54.21 H new ATOM 0 HD2 LYS B 32 6.882 -5.212 18.572 1.00 53.52 H new ATOM 0 HD3 LYS B 32 6.277 -5.923 20.055 1.00 53.52 H new ATOM 0 HE2 LYS B 32 8.514 -5.779 21.062 1.00 52.33 H new ATOM 0 HE3 LYS B 32 9.160 -5.127 19.570 1.00 52.33 H new ATOM 0 HZ1 LYS B 32 8.700 -3.395 21.155 1.00 41.42 H new ATOM 0 HZ2 LYS B 32 7.695 -3.224 19.798 1.00 41.42 H new ATOM 0 HZ3 LYS B 32 7.068 -3.856 21.244 1.00 41.42 H new ATOM 2346 N GLU B 33 9.097 -8.163 15.012 1.00 54.22 N ATOM 2347 CA GLU B 33 10.063 -8.701 14.053 1.00 43.33 C ATOM 2348 C GLU B 33 9.783 -8.211 12.631 1.00 33.21 C ATOM 2349 O GLU B 33 10.688 -7.774 11.936 1.00 2.41 O ATOM 2350 CB GLU B 33 10.008 -10.224 14.068 1.00 44.14 C ATOM 2351 CG GLU B 33 10.273 -10.880 15.414 1.00 23.43 C ATOM 2352 CD GLU B 33 11.689 -10.859 15.866 1.00 21.41 C ATOM 2353 OE1 GLU B 33 12.537 -11.527 15.252 1.00 13.51 O ATOM 2354 OE2 GLU B 33 11.976 -10.205 16.859 1.00 14.14 O ATOM 0 H GLU B 33 8.449 -8.861 15.377 1.00 54.22 H new ATOM 0 HA GLU B 33 11.051 -8.351 14.350 1.00 43.33 H new ATOM 0 HB2 GLU B 33 9.024 -10.537 13.719 1.00 44.14 H new ATOM 0 HB3 GLU B 33 10.736 -10.603 13.350 1.00 44.14 H new ATOM 0 HG2 GLU B 33 9.661 -10.384 16.168 1.00 23.43 H new ATOM 0 HG3 GLU B 33 9.940 -11.917 15.366 1.00 23.43 H new ATOM 2361 N ILE B 34 8.527 -8.267 12.218 1.00 22.25 N ATOM 2362 CA ILE B 34 8.169 -7.910 10.842 1.00 34.05 C ATOM 2363 C ILE B 34 8.325 -6.411 10.592 1.00 13.23 C ATOM 2364 O ILE B 34 8.751 -5.989 9.514 1.00 34.23 O ATOM 2365 CB ILE B 34 6.758 -8.424 10.403 1.00 14.23 C ATOM 2366 CG1 ILE B 34 5.626 -7.825 11.264 1.00 34.55 C ATOM 2367 CG2 ILE B 34 6.716 -9.950 10.401 1.00 74.42 C ATOM 2368 CD1 ILE B 34 4.242 -8.384 10.962 1.00 24.30 C ATOM 0 H ILE B 34 7.742 -8.552 12.803 1.00 22.25 H new ATOM 0 HA ILE B 34 8.882 -8.435 10.207 1.00 34.05 H new ATOM 0 HB ILE B 34 6.586 -8.079 9.383 1.00 14.23 H new ATOM 0 HG12 ILE B 34 5.854 -8.001 12.315 1.00 34.55 H new ATOM 0 HG13 ILE B 34 5.608 -6.745 11.118 1.00 34.55 H new ATOM 0 HG21 ILE B 34 5.726 -10.286 10.093 1.00 74.42 H new ATOM 0 HG22 ILE B 34 7.462 -10.334 9.705 1.00 74.42 H new ATOM 0 HG23 ILE B 34 6.930 -10.321 11.403 1.00 74.42 H new ATOM 0 HD11 ILE B 34 3.508 -7.908 11.612 1.00 24.30 H new ATOM 0 HD12 ILE B 34 3.988 -8.185 9.921 1.00 24.30 H new ATOM 0 HD13 ILE B 34 4.238 -9.460 11.137 1.00 24.30 H new ATOM 2380 N ASP B 35 8.030 -5.620 11.619 1.00 15.11 N ATOM 2381 CA ASP B 35 8.076 -4.160 11.542 1.00 71.12 C ATOM 2382 C ASP B 35 9.489 -3.650 11.255 1.00 74.54 C ATOM 2383 O ASP B 35 9.689 -2.822 10.372 1.00 70.32 O ATOM 2384 CB ASP B 35 7.550 -3.563 12.835 1.00 1.42 C ATOM 2385 CG ASP B 35 7.582 -2.073 12.839 1.00 52.11 C ATOM 2386 OD1 ASP B 35 6.766 -1.461 12.114 1.00 12.41 O ATOM 2387 OD2 ASP B 35 8.415 -1.489 13.583 1.00 43.20 O ATOM 0 H ASP B 35 7.751 -5.974 12.534 1.00 15.11 H new ATOM 0 HA ASP B 35 7.444 -3.846 10.712 1.00 71.12 H new ATOM 0 HB2 ASP B 35 6.526 -3.900 12.995 1.00 1.42 H new ATOM 0 HB3 ASP B 35 8.143 -3.937 13.670 1.00 1.42 H new ATOM 2392 N LYS B 36 10.469 -4.221 11.950 1.00 62.20 N ATOM 2393 CA LYS B 36 11.884 -3.821 11.790 1.00 45.14 C ATOM 2394 C LYS B 36 12.449 -4.210 10.430 1.00 22.25 C ATOM 2395 O LYS B 36 13.535 -3.775 10.054 1.00 2.14 O ATOM 2396 CB LYS B 36 12.801 -4.343 12.935 1.00 41.15 C ATOM 2397 CG LYS B 36 12.444 -5.712 13.454 1.00 32.54 C ATOM 2398 CD LYS B 36 13.408 -6.268 14.506 1.00 43.15 C ATOM 2399 CE LYS B 36 13.220 -5.652 15.890 1.00 54.52 C ATOM 2400 NZ LYS B 36 14.118 -6.282 16.885 1.00 32.24 N ATOM 0 H LYS B 36 10.320 -4.964 12.633 1.00 62.20 H new ATOM 0 HA LYS B 36 11.880 -2.733 11.852 1.00 45.14 H new ATOM 0 HB2 LYS B 36 13.830 -4.362 12.577 1.00 41.15 H new ATOM 0 HB3 LYS B 36 12.764 -3.635 13.763 1.00 41.15 H new ATOM 0 HG2 LYS B 36 11.443 -5.674 13.883 1.00 32.54 H new ATOM 0 HG3 LYS B 36 12.405 -6.405 12.614 1.00 32.54 H new ATOM 0 HD2 LYS B 36 13.274 -7.347 14.576 1.00 43.15 H new ATOM 0 HD3 LYS B 36 14.432 -6.095 14.176 1.00 43.15 H new ATOM 0 HE2 LYS B 36 13.419 -4.581 15.844 1.00 54.52 H new ATOM 0 HE3 LYS B 36 12.183 -5.771 16.206 1.00 54.52 H new ATOM 0 HZ1 LYS B 36 13.968 -5.843 17.816 1.00 32.24 H new ATOM 0 HZ2 LYS B 36 13.911 -7.299 16.945 1.00 32.24 H new ATOM 0 HZ3 LYS B 36 15.107 -6.147 16.594 1.00 32.24 H new ATOM 2414 N ARG B 37 11.711 -5.010 9.698 1.00 61.22 N ATOM 2415 CA ARG B 37 12.151 -5.512 8.414 1.00 23.13 C ATOM 2416 C ARG B 37 11.388 -4.832 7.271 1.00 70.45 C ATOM 2417 O ARG B 37 11.490 -5.234 6.118 1.00 63.11 O ATOM 2418 CB ARG B 37 11.909 -7.017 8.386 1.00 53.15 C ATOM 2419 CG ARG B 37 12.668 -7.769 9.466 1.00 55.24 C ATOM 2420 CD ARG B 37 12.288 -9.230 9.519 1.00 73.20 C ATOM 2421 NE ARG B 37 13.085 -9.960 10.523 1.00 30.35 N ATOM 2422 CZ ARG B 37 12.701 -11.076 11.158 1.00 13.45 C ATOM 2423 NH1 ARG B 37 11.503 -11.603 10.933 1.00 14.11 N ATOM 2424 NH2 ARG B 37 13.530 -11.659 12.020 1.00 4.44 N ATOM 0 H ARG B 37 10.784 -5.334 9.976 1.00 61.22 H new ATOM 0 HA ARG B 37 13.210 -5.295 8.278 1.00 23.13 H new ATOM 0 HB2 ARG B 37 10.842 -7.208 8.501 1.00 53.15 H new ATOM 0 HB3 ARG B 37 12.199 -7.406 7.410 1.00 53.15 H new ATOM 0 HG2 ARG B 37 13.739 -7.680 9.284 1.00 55.24 H new ATOM 0 HG3 ARG B 37 12.470 -7.309 10.434 1.00 55.24 H new ATOM 0 HD2 ARG B 37 11.228 -9.323 9.757 1.00 73.20 H new ATOM 0 HD3 ARG B 37 12.435 -9.681 8.538 1.00 73.20 H new ATOM 0 HE ARG B 37 14.005 -9.584 10.753 1.00 30.35 H new ATOM 0 HH11 ARG B 37 10.866 -11.158 10.272 1.00 14.11 H new ATOM 0 HH12 ARG B 37 11.220 -12.453 11.421 1.00 14.11 H new ATOM 0 HH21 ARG B 37 14.451 -11.256 12.194 1.00 4.44 H new ATOM 0 HH22 ARG B 37 13.245 -12.509 12.507 1.00 4.44 H new ATOM 2438 N SER B 38 10.635 -3.808 7.594 1.00 74.43 N ATOM 2439 CA SER B 38 9.798 -3.143 6.612 1.00 3.13 C ATOM 2440 C SER B 38 10.367 -1.787 6.101 1.00 71.10 C ATOM 2441 O SER B 38 11.217 -1.168 6.742 1.00 64.35 O ATOM 2442 CB SER B 38 8.469 -2.896 7.244 1.00 71.22 C ATOM 2443 OG SER B 38 7.889 -4.076 7.746 1.00 1.14 O ATOM 0 H SER B 38 10.582 -3.412 8.533 1.00 74.43 H new ATOM 0 HA SER B 38 9.740 -3.796 5.741 1.00 3.13 H new ATOM 0 HB2 SER B 38 8.583 -2.176 8.055 1.00 71.22 H new ATOM 0 HB3 SER B 38 7.798 -2.447 6.511 1.00 71.22 H new ATOM 0 HG SER B 38 8.444 -4.430 8.472 1.00 1.14 H new ATOM 2449 N VAL B 39 9.831 -1.329 4.949 1.00 33.32 N ATOM 2450 CA VAL B 39 10.172 -0.034 4.322 1.00 64.34 C ATOM 2451 C VAL B 39 8.944 0.648 3.717 1.00 41.14 C ATOM 2452 O VAL B 39 7.913 0.024 3.525 1.00 3.54 O ATOM 2453 CB VAL B 39 11.299 -0.110 3.231 1.00 52.50 C ATOM 2454 CG1 VAL B 39 12.636 -0.354 3.828 1.00 33.25 C ATOM 2455 CG2 VAL B 39 11.012 -1.168 2.208 1.00 75.24 C ATOM 0 H VAL B 39 9.138 -1.858 4.420 1.00 33.32 H new ATOM 0 HA VAL B 39 10.564 0.559 5.148 1.00 64.34 H new ATOM 0 HB VAL B 39 11.309 0.863 2.740 1.00 52.50 H new ATOM 0 HG11 VAL B 39 13.385 -0.399 3.037 1.00 33.25 H new ATOM 0 HG12 VAL B 39 12.881 0.456 4.514 1.00 33.25 H new ATOM 0 HG13 VAL B 39 12.625 -1.299 4.371 1.00 33.25 H new ATOM 0 HG21 VAL B 39 11.815 -1.189 1.471 1.00 75.24 H new ATOM 0 HG22 VAL B 39 10.944 -2.139 2.698 1.00 75.24 H new ATOM 0 HG23 VAL B 39 10.068 -0.946 1.710 1.00 75.24 H new ATOM 2465 N TYR B 40 9.100 1.914 3.435 1.00 54.10 N ATOM 2466 CA TYR B 40 8.111 2.782 2.825 1.00 50.34 C ATOM 2467 C TYR B 40 8.673 3.285 1.526 1.00 71.34 C ATOM 2468 O TYR B 40 9.799 3.728 1.482 1.00 44.40 O ATOM 2469 CB TYR B 40 7.793 3.986 3.751 1.00 50.41 C ATOM 2470 CG TYR B 40 7.153 5.195 3.042 1.00 22.03 C ATOM 2471 CD1 TYR B 40 5.793 5.266 2.795 1.00 4.21 C ATOM 2472 CD2 TYR B 40 7.946 6.262 2.611 1.00 52.44 C ATOM 2473 CE1 TYR B 40 5.241 6.358 2.144 1.00 14.34 C ATOM 2474 CE2 TYR B 40 7.402 7.349 1.961 1.00 52.03 C ATOM 2475 CZ TYR B 40 6.049 7.393 1.730 1.00 0.43 C ATOM 2476 OH TYR B 40 5.504 8.479 1.071 1.00 22.42 O ATOM 0 H TYR B 40 9.973 2.403 3.635 1.00 54.10 H new ATOM 0 HA TYR B 40 7.188 2.226 2.660 1.00 50.34 H new ATOM 0 HB2 TYR B 40 7.123 3.650 4.543 1.00 50.41 H new ATOM 0 HB3 TYR B 40 8.716 4.311 4.231 1.00 50.41 H new ATOM 0 HD1 TYR B 40 5.152 4.458 3.115 1.00 4.21 H new ATOM 0 HD2 TYR B 40 9.010 6.234 2.792 1.00 52.44 H new ATOM 0 HE1 TYR B 40 4.177 6.397 1.962 1.00 14.34 H new ATOM 0 HE2 TYR B 40 8.036 8.161 1.636 1.00 52.03 H new ATOM 0 HH TYR B 40 6.214 9.118 0.851 1.00 22.42 H new ATOM 2486 N VAL B 41 7.911 3.186 0.501 1.00 23.55 N ATOM 2487 CA VAL B 41 8.270 3.637 -0.807 1.00 24.12 C ATOM 2488 C VAL B 41 7.280 4.700 -1.247 1.00 64.10 C ATOM 2489 O VAL B 41 6.101 4.427 -1.365 1.00 50.33 O ATOM 2490 CB VAL B 41 8.188 2.463 -1.800 1.00 43.33 C ATOM 2491 CG1 VAL B 41 8.577 2.879 -3.214 1.00 32.10 C ATOM 2492 CG2 VAL B 41 9.025 1.293 -1.324 1.00 64.43 C ATOM 0 H VAL B 41 6.980 2.772 0.544 1.00 23.55 H new ATOM 0 HA VAL B 41 9.284 4.037 -0.786 1.00 24.12 H new ATOM 0 HB VAL B 41 7.146 2.145 -1.838 1.00 43.33 H new ATOM 0 HG11 VAL B 41 8.504 2.019 -3.879 1.00 32.10 H new ATOM 0 HG12 VAL B 41 7.904 3.664 -3.560 1.00 32.10 H new ATOM 0 HG13 VAL B 41 9.601 3.253 -3.215 1.00 32.10 H new ATOM 0 HG21 VAL B 41 8.951 0.476 -2.042 1.00 64.43 H new ATOM 0 HG22 VAL B 41 10.066 1.603 -1.234 1.00 64.43 H new ATOM 0 HG23 VAL B 41 8.661 0.957 -0.353 1.00 64.43 H new ATOM 2502 N GLY B 42 7.740 5.888 -1.471 1.00 12.44 N ATOM 2503 CA GLY B 42 6.858 6.934 -1.903 1.00 63.54 C ATOM 2504 C GLY B 42 7.021 7.239 -3.373 1.00 43.01 C ATOM 2505 O GLY B 42 8.008 6.829 -3.980 1.00 61.41 O ATOM 0 H GLY B 42 8.717 6.162 -1.364 1.00 12.44 H new ATOM 0 HA2 GLY B 42 5.826 6.643 -1.705 1.00 63.54 H new ATOM 0 HA3 GLY B 42 7.052 7.835 -1.322 1.00 63.54 H new ATOM 2509 N ASN B 43 6.057 7.981 -3.915 1.00 51.54 N ATOM 2510 CA ASN B 43 5.989 8.415 -5.340 1.00 73.24 C ATOM 2511 C ASN B 43 5.787 7.232 -6.331 1.00 64.00 C ATOM 2512 O ASN B 43 6.061 7.365 -7.528 1.00 72.52 O ATOM 2513 CB ASN B 43 7.243 9.220 -5.757 1.00 3.42 C ATOM 2514 CG ASN B 43 6.998 10.041 -7.029 1.00 44.33 C ATOM 2515 OD1 ASN B 43 5.900 10.575 -7.232 1.00 22.40 O ATOM 2516 ND2 ASN B 43 7.953 10.086 -7.914 1.00 40.54 N ATOM 0 H ASN B 43 5.265 8.317 -3.367 1.00 51.54 H new ATOM 0 HA ASN B 43 5.110 9.057 -5.400 1.00 73.24 H new ATOM 0 HB2 ASN B 43 7.533 9.887 -4.945 1.00 3.42 H new ATOM 0 HB3 ASN B 43 8.076 8.536 -5.921 1.00 3.42 H new ATOM 0 HD21 ASN B 43 7.805 10.570 -8.800 1.00 40.54 H new ATOM 0 HD22 ASN B 43 8.849 9.637 -7.721 1.00 40.54 H new ATOM 2523 N VAL B 44 5.296 6.097 -5.854 1.00 44.22 N ATOM 2524 CA VAL B 44 5.026 4.969 -6.760 1.00 24.22 C ATOM 2525 C VAL B 44 3.934 5.354 -7.744 1.00 35.14 C ATOM 2526 O VAL B 44 2.918 5.961 -7.370 1.00 12.02 O ATOM 2527 CB VAL B 44 4.678 3.635 -6.008 1.00 75.00 C ATOM 2528 CG1 VAL B 44 3.366 3.708 -5.266 1.00 54.35 C ATOM 2529 CG2 VAL B 44 4.690 2.453 -6.957 1.00 52.12 C ATOM 0 H VAL B 44 5.078 5.926 -4.872 1.00 44.22 H new ATOM 0 HA VAL B 44 5.947 4.762 -7.304 1.00 24.22 H new ATOM 0 HB VAL B 44 5.458 3.491 -5.260 1.00 75.00 H new ATOM 0 HG11 VAL B 44 3.178 2.758 -4.766 1.00 54.35 H new ATOM 0 HG12 VAL B 44 3.411 4.506 -4.525 1.00 54.35 H new ATOM 0 HG13 VAL B 44 2.560 3.913 -5.971 1.00 54.35 H new ATOM 0 HG21 VAL B 44 4.446 1.543 -6.408 1.00 52.12 H new ATOM 0 HG22 VAL B 44 3.953 2.611 -7.744 1.00 52.12 H new ATOM 0 HG23 VAL B 44 5.680 2.353 -7.402 1.00 52.12 H new ATOM 2539 N ASP B 45 4.177 5.057 -9.002 1.00 41.04 N ATOM 2540 CA ASP B 45 3.240 5.384 -10.046 1.00 74.52 C ATOM 2541 C ASP B 45 2.066 4.463 -9.929 1.00 33.14 C ATOM 2542 O ASP B 45 2.252 3.280 -9.633 1.00 72.03 O ATOM 2543 CB ASP B 45 3.896 5.233 -11.427 1.00 1.23 C ATOM 2544 CG ASP B 45 2.995 5.653 -12.552 1.00 74.23 C ATOM 2545 OD1 ASP B 45 2.969 6.850 -12.876 1.00 13.54 O ATOM 2546 OD2 ASP B 45 2.305 4.806 -13.117 1.00 14.24 O ATOM 0 H ASP B 45 5.022 4.586 -9.325 1.00 41.04 H new ATOM 0 HA ASP B 45 2.917 6.420 -9.940 1.00 74.52 H new ATOM 0 HB2 ASP B 45 4.808 5.829 -11.457 1.00 1.23 H new ATOM 0 HB3 ASP B 45 4.189 4.193 -11.572 1.00 1.23 H new ATOM 2551 N TYR B 46 0.878 4.992 -10.162 1.00 64.51 N ATOM 2552 CA TYR B 46 -0.371 4.226 -10.045 1.00 63.11 C ATOM 2553 C TYR B 46 -0.313 2.984 -10.972 1.00 43.33 C ATOM 2554 O TYR B 46 -0.922 1.940 -10.698 1.00 54.55 O ATOM 2555 CB TYR B 46 -1.573 5.120 -10.430 1.00 4.20 C ATOM 2556 CG TYR B 46 -2.931 4.601 -9.963 1.00 25.32 C ATOM 2557 CD1 TYR B 46 -3.487 3.440 -10.473 1.00 35.44 C ATOM 2558 CD2 TYR B 46 -3.638 5.273 -8.975 1.00 51.11 C ATOM 2559 CE1 TYR B 46 -4.696 2.973 -10.022 1.00 34.32 C ATOM 2560 CE2 TYR B 46 -4.840 4.807 -8.519 1.00 71.40 C ATOM 2561 CZ TYR B 46 -5.364 3.661 -9.043 1.00 53.41 C ATOM 2562 OH TYR B 46 -6.551 3.195 -8.581 1.00 30.32 O ATOM 0 H TYR B 46 0.741 5.964 -10.438 1.00 64.51 H new ATOM 0 HA TYR B 46 -0.493 3.894 -9.014 1.00 63.11 H new ATOM 0 HB2 TYR B 46 -1.417 6.115 -10.013 1.00 4.20 H new ATOM 0 HB3 TYR B 46 -1.594 5.229 -11.514 1.00 4.20 H new ATOM 0 HD1 TYR B 46 -2.960 2.892 -11.240 1.00 35.44 H new ATOM 0 HD2 TYR B 46 -3.230 6.182 -8.558 1.00 51.11 H new ATOM 0 HE1 TYR B 46 -5.118 2.069 -10.436 1.00 34.32 H new ATOM 0 HE2 TYR B 46 -5.372 5.344 -7.748 1.00 71.40 H new ATOM 0 HH TYR B 46 -7.212 3.918 -8.591 1.00 30.32 H new ATOM 2572 N GLY B 47 0.446 3.104 -12.047 1.00 65.11 N ATOM 2573 CA GLY B 47 0.567 2.037 -12.987 1.00 3.52 C ATOM 2574 C GLY B 47 1.692 1.077 -12.664 1.00 63.30 C ATOM 2575 O GLY B 47 1.917 0.129 -13.414 1.00 3.02 O ATOM 0 H GLY B 47 0.984 3.939 -12.279 1.00 65.11 H new ATOM 0 HA2 GLY B 47 -0.373 1.486 -13.023 1.00 3.52 H new ATOM 0 HA3 GLY B 47 0.729 2.455 -13.981 1.00 3.52 H new ATOM 2579 N SER B 48 2.421 1.303 -11.568 1.00 13.11 N ATOM 2580 CA SER B 48 3.445 0.368 -11.194 1.00 22.22 C ATOM 2581 C SER B 48 2.774 -0.806 -10.520 1.00 71.55 C ATOM 2582 O SER B 48 1.884 -0.623 -9.684 1.00 53.05 O ATOM 2583 CB SER B 48 4.429 1.020 -10.250 1.00 40.22 C ATOM 2584 OG SER B 48 4.931 2.229 -10.808 1.00 33.35 O ATOM 0 H SER B 48 2.315 2.107 -10.949 1.00 13.11 H new ATOM 0 HA SER B 48 3.995 0.036 -12.075 1.00 22.22 H new ATOM 0 HB2 SER B 48 3.944 1.227 -9.296 1.00 40.22 H new ATOM 0 HB3 SER B 48 5.254 0.337 -10.047 1.00 40.22 H new ATOM 0 HG SER B 48 5.437 2.718 -10.126 1.00 33.35 H new ATOM 2590 N THR B 49 3.165 -1.986 -10.865 1.00 52.41 N ATOM 2591 CA THR B 49 2.514 -3.115 -10.315 1.00 50.34 C ATOM 2592 C THR B 49 3.251 -3.607 -9.103 1.00 31.10 C ATOM 2593 O THR B 49 4.378 -3.168 -8.818 1.00 62.31 O ATOM 2594 CB THR B 49 2.411 -4.266 -11.327 1.00 64.12 C ATOM 2595 OG1 THR B 49 3.717 -4.749 -11.663 1.00 61.33 O ATOM 2596 CG2 THR B 49 1.703 -3.821 -12.590 1.00 71.54 C ATOM 0 H THR B 49 3.923 -2.188 -11.517 1.00 52.41 H new ATOM 0 HA THR B 49 1.508 -2.798 -10.041 1.00 50.34 H new ATOM 0 HB THR B 49 1.832 -5.065 -10.863 1.00 64.12 H new ATOM 0 HG1 THR B 49 4.131 -4.146 -12.315 1.00 61.33 H new ATOM 0 HG21 THR B 49 1.645 -4.656 -13.288 1.00 71.54 H new ATOM 0 HG22 THR B 49 0.696 -3.483 -12.343 1.00 71.54 H new ATOM 0 HG23 THR B 49 2.258 -3.003 -13.049 1.00 71.54 H new ATOM 2604 N ALA B 50 2.626 -4.524 -8.390 1.00 5.34 N ATOM 2605 CA ALA B 50 3.235 -5.188 -7.274 1.00 44.31 C ATOM 2606 C ALA B 50 4.483 -5.937 -7.773 1.00 4.53 C ATOM 2607 O ALA B 50 5.508 -5.956 -7.117 1.00 1.22 O ATOM 2608 CB ALA B 50 2.205 -6.153 -6.695 1.00 12.42 C ATOM 0 H ALA B 50 1.670 -4.826 -8.579 1.00 5.34 H new ATOM 0 HA ALA B 50 3.544 -4.485 -6.500 1.00 44.31 H new ATOM 0 HB1 ALA B 50 2.636 -6.677 -5.842 1.00 12.42 H new ATOM 0 HB2 ALA B 50 1.326 -5.596 -6.372 1.00 12.42 H new ATOM 0 HB3 ALA B 50 1.916 -6.877 -7.457 1.00 12.42 H new ATOM 2614 N GLN B 51 4.357 -6.518 -8.969 1.00 24.55 N ATOM 2615 CA GLN B 51 5.454 -7.229 -9.648 1.00 44.14 C ATOM 2616 C GLN B 51 6.673 -6.315 -9.843 1.00 51.53 C ATOM 2617 O GLN B 51 7.803 -6.716 -9.555 1.00 50.42 O ATOM 2618 CB GLN B 51 4.971 -7.723 -11.015 1.00 30.42 C ATOM 2619 CG GLN B 51 3.750 -8.629 -10.956 1.00 41.11 C ATOM 2620 CD GLN B 51 3.259 -9.038 -12.333 1.00 41.50 C ATOM 2621 OE1 GLN B 51 3.672 -10.054 -12.878 1.00 20.24 O ATOM 2622 NE2 GLN B 51 2.386 -8.238 -12.911 1.00 4.14 N ATOM 0 H GLN B 51 3.487 -6.511 -9.501 1.00 24.55 H new ATOM 0 HA GLN B 51 5.751 -8.072 -9.024 1.00 44.14 H new ATOM 0 HB2 GLN B 51 4.739 -6.860 -11.639 1.00 30.42 H new ATOM 0 HB3 GLN B 51 5.785 -8.260 -11.503 1.00 30.42 H new ATOM 0 HG2 GLN B 51 3.993 -9.522 -10.381 1.00 41.11 H new ATOM 0 HG3 GLN B 51 2.947 -8.117 -10.426 1.00 41.11 H new ATOM 0 HE21 GLN B 51 2.064 -7.400 -12.427 1.00 4.14 H new ATOM 0 HE22 GLN B 51 2.032 -8.457 -13.842 1.00 4.14 H new ATOM 2631 N ASP B 52 6.430 -5.086 -10.327 1.00 41.22 N ATOM 2632 CA ASP B 52 7.517 -4.093 -10.525 1.00 5.13 C ATOM 2633 C ASP B 52 8.219 -3.826 -9.223 1.00 31.02 C ATOM 2634 O ASP B 52 9.454 -3.838 -9.136 1.00 43.40 O ATOM 2635 CB ASP B 52 6.995 -2.742 -11.061 1.00 11.34 C ATOM 2636 CG ASP B 52 6.430 -2.790 -12.445 1.00 22.41 C ATOM 2637 OD1 ASP B 52 7.213 -2.720 -13.417 1.00 3.02 O ATOM 2638 OD2 ASP B 52 5.197 -2.873 -12.589 1.00 30.32 O ATOM 0 H ASP B 52 5.503 -4.751 -10.588 1.00 41.22 H new ATOM 0 HA ASP B 52 8.196 -4.526 -11.260 1.00 5.13 H new ATOM 0 HB2 ASP B 52 6.226 -2.371 -10.383 1.00 11.34 H new ATOM 0 HB3 ASP B 52 7.812 -2.020 -11.042 1.00 11.34 H new ATOM 2643 N LEU B 53 7.423 -3.599 -8.211 1.00 23.30 N ATOM 2644 CA LEU B 53 7.914 -3.288 -6.897 1.00 1.13 C ATOM 2645 C LEU B 53 8.678 -4.432 -6.286 1.00 14.41 C ATOM 2646 O LEU B 53 9.798 -4.231 -5.781 1.00 71.33 O ATOM 2647 CB LEU B 53 6.744 -2.891 -6.017 1.00 51.21 C ATOM 2648 CG LEU B 53 6.134 -1.542 -6.333 1.00 34.25 C ATOM 2649 CD1 LEU B 53 4.793 -1.410 -5.649 1.00 11.33 C ATOM 2650 CD2 LEU B 53 7.084 -0.445 -5.853 1.00 55.05 C ATOM 0 H LEU B 53 6.406 -3.625 -8.278 1.00 23.30 H new ATOM 0 HA LEU B 53 8.617 -2.459 -6.980 1.00 1.13 H new ATOM 0 HB2 LEU B 53 5.969 -3.653 -6.104 1.00 51.21 H new ATOM 0 HB3 LEU B 53 7.074 -2.889 -4.978 1.00 51.21 H new ATOM 0 HG LEU B 53 5.983 -1.447 -7.408 1.00 34.25 H new ATOM 0 HD11 LEU B 53 4.360 -0.437 -5.881 1.00 11.33 H new ATOM 0 HD12 LEU B 53 4.126 -2.197 -6.001 1.00 11.33 H new ATOM 0 HD13 LEU B 53 4.924 -1.501 -4.571 1.00 11.33 H new ATOM 0 HD21 LEU B 53 6.654 0.532 -6.076 1.00 55.05 H new ATOM 0 HD22 LEU B 53 7.234 -0.539 -4.777 1.00 55.05 H new ATOM 0 HD23 LEU B 53 8.042 -0.545 -6.363 1.00 55.05 H new ATOM 2662 N GLU B 54 8.111 -5.635 -6.340 1.00 10.24 N ATOM 2663 CA GLU B 54 8.762 -6.789 -5.780 1.00 32.14 C ATOM 2664 C GLU B 54 10.098 -7.039 -6.423 1.00 4.15 C ATOM 2665 O GLU B 54 11.082 -7.148 -5.735 1.00 44.43 O ATOM 2666 CB GLU B 54 7.907 -8.018 -6.006 1.00 73.22 C ATOM 2667 CG GLU B 54 8.458 -9.241 -5.306 1.00 71.44 C ATOM 2668 CD GLU B 54 7.788 -10.528 -5.647 1.00 30.55 C ATOM 2669 OE1 GLU B 54 6.720 -10.819 -5.107 1.00 21.41 O ATOM 2670 OE2 GLU B 54 8.378 -11.311 -6.416 1.00 34.21 O ATOM 0 H GLU B 54 7.204 -5.823 -6.767 1.00 10.24 H new ATOM 0 HA GLU B 54 8.904 -6.596 -4.717 1.00 32.14 H new ATOM 0 HB2 GLU B 54 6.895 -7.824 -5.650 1.00 73.22 H new ATOM 0 HB3 GLU B 54 7.836 -8.216 -7.075 1.00 73.22 H new ATOM 0 HG2 GLU B 54 9.518 -9.328 -5.544 1.00 71.44 H new ATOM 0 HG3 GLU B 54 8.385 -9.087 -4.229 1.00 71.44 H new ATOM 2677 N ALA B 55 10.130 -7.073 -7.742 1.00 70.24 N ATOM 2678 CA ALA B 55 11.363 -7.347 -8.483 1.00 40.30 C ATOM 2679 C ALA B 55 12.454 -6.363 -8.111 1.00 11.42 C ATOM 2680 O ALA B 55 13.618 -6.751 -7.787 1.00 32.21 O ATOM 2681 CB ALA B 55 11.099 -7.297 -9.979 1.00 31.45 C ATOM 0 H ALA B 55 9.314 -6.914 -8.333 1.00 70.24 H new ATOM 0 HA ALA B 55 11.703 -8.347 -8.215 1.00 40.30 H new ATOM 0 HB1 ALA B 55 12.023 -7.502 -10.519 1.00 31.45 H new ATOM 0 HB2 ALA B 55 10.352 -8.046 -10.242 1.00 31.45 H new ATOM 0 HB3 ALA B 55 10.732 -6.307 -10.251 1.00 31.45 H new ATOM 2687 N HIS B 56 12.065 -5.115 -8.065 1.00 1.22 N ATOM 2688 CA HIS B 56 12.997 -4.031 -7.838 1.00 61.10 C ATOM 2689 C HIS B 56 13.567 -4.121 -6.421 1.00 23.12 C ATOM 2690 O HIS B 56 14.743 -3.871 -6.205 1.00 52.03 O ATOM 2691 CB HIS B 56 12.300 -2.687 -8.087 1.00 62.31 C ATOM 2692 CG HIS B 56 13.210 -1.496 -8.138 1.00 24.44 C ATOM 2693 ND1 HIS B 56 13.637 -0.941 -9.318 1.00 12.34 N ATOM 2694 CD2 HIS B 56 13.730 -0.726 -7.161 1.00 52.25 C ATOM 2695 CE1 HIS B 56 14.374 0.111 -9.069 1.00 52.31 C ATOM 2696 NE2 HIS B 56 14.452 0.269 -7.768 1.00 23.24 N ATOM 0 H HIS B 56 11.096 -4.818 -8.183 1.00 1.22 H new ATOM 0 HA HIS B 56 13.831 -4.109 -8.536 1.00 61.10 H new ATOM 0 HB2 HIS B 56 11.754 -2.748 -9.029 1.00 62.31 H new ATOM 0 HB3 HIS B 56 11.562 -2.527 -7.301 1.00 62.31 H new ATOM 0 HD2 HIS B 56 13.602 -0.867 -6.098 1.00 52.25 H new ATOM 0 HE1 HIS B 56 14.840 0.744 -9.810 1.00 52.31 H new ATOM 0 HE2 HIS B 56 14.965 1.009 -7.288 1.00 23.24 H new ATOM 2705 N PHE B 57 12.728 -4.476 -5.471 1.00 53.14 N ATOM 2706 CA PHE B 57 13.151 -4.656 -4.098 1.00 65.04 C ATOM 2707 C PHE B 57 13.782 -6.006 -3.802 1.00 10.53 C ATOM 2708 O PHE B 57 14.512 -6.146 -2.835 1.00 4.21 O ATOM 2709 CB PHE B 57 12.109 -4.245 -3.087 1.00 25.32 C ATOM 2710 CG PHE B 57 12.054 -2.761 -2.912 1.00 15.30 C ATOM 2711 CD1 PHE B 57 12.994 -2.141 -2.125 1.00 44.54 C ATOM 2712 CD2 PHE B 57 11.099 -1.990 -3.527 1.00 70.51 C ATOM 2713 CE1 PHE B 57 12.982 -0.779 -1.948 1.00 60.12 C ATOM 2714 CE2 PHE B 57 11.085 -0.620 -3.351 1.00 51.01 C ATOM 2715 CZ PHE B 57 12.028 -0.023 -2.562 1.00 43.44 C ATOM 0 H PHE B 57 11.735 -4.648 -5.628 1.00 53.14 H new ATOM 0 HA PHE B 57 13.970 -3.946 -3.978 1.00 65.04 H new ATOM 0 HB2 PHE B 57 11.132 -4.609 -3.405 1.00 25.32 H new ATOM 0 HB3 PHE B 57 12.328 -4.715 -2.128 1.00 25.32 H new ATOM 0 HD1 PHE B 57 13.754 -2.734 -1.638 1.00 44.54 H new ATOM 0 HD2 PHE B 57 10.353 -2.458 -4.153 1.00 70.51 H new ATOM 0 HE1 PHE B 57 13.727 -0.308 -1.324 1.00 60.12 H new ATOM 0 HE2 PHE B 57 10.329 -0.021 -3.837 1.00 51.01 H new ATOM 0 HZ PHE B 57 12.017 1.048 -2.425 1.00 43.44 H new ATOM 2725 N SER B 58 13.494 -6.998 -4.641 1.00 72.33 N ATOM 2726 CA SER B 58 14.026 -8.355 -4.455 1.00 3.21 C ATOM 2727 C SER B 58 15.526 -8.339 -4.599 1.00 22.42 C ATOM 2728 O SER B 58 16.237 -9.175 -4.016 1.00 72.33 O ATOM 2729 CB SER B 58 13.411 -9.364 -5.441 1.00 30.53 C ATOM 2730 OG SER B 58 12.008 -9.502 -5.243 1.00 0.32 O ATOM 0 H SER B 58 12.894 -6.892 -5.459 1.00 72.33 H new ATOM 0 HA SER B 58 13.754 -8.679 -3.451 1.00 3.21 H new ATOM 0 HB2 SER B 58 13.604 -9.039 -6.463 1.00 30.53 H new ATOM 0 HB3 SER B 58 13.893 -10.334 -5.318 1.00 30.53 H new ATOM 0 HG SER B 58 11.601 -8.615 -5.156 1.00 0.32 H new ATOM 2736 N SER B 59 16.023 -7.390 -5.383 1.00 40.21 N ATOM 2737 CA SER B 59 17.453 -7.181 -5.495 1.00 74.24 C ATOM 2738 C SER B 59 18.078 -6.869 -4.103 1.00 41.41 C ATOM 2739 O SER B 59 19.247 -7.176 -3.853 1.00 3.13 O ATOM 2740 CB SER B 59 17.703 -6.019 -6.452 1.00 51.11 C ATOM 2741 OG SER B 59 17.037 -6.238 -7.690 1.00 0.04 O ATOM 0 H SER B 59 15.456 -6.757 -5.947 1.00 40.21 H new ATOM 0 HA SER B 59 17.921 -8.089 -5.877 1.00 74.24 H new ATOM 0 HB2 SER B 59 17.352 -5.090 -6.004 1.00 51.11 H new ATOM 0 HB3 SER B 59 18.773 -5.906 -6.624 1.00 51.11 H new ATOM 0 HG SER B 59 17.207 -5.483 -8.291 1.00 0.04 H new ATOM 2747 N CYS B 60 17.287 -6.267 -3.213 1.00 55.34 N ATOM 2748 CA CYS B 60 17.735 -5.905 -1.874 1.00 41.12 C ATOM 2749 C CYS B 60 17.375 -6.958 -0.792 1.00 33.22 C ATOM 2750 O CYS B 60 17.670 -6.749 0.388 1.00 52.43 O ATOM 2751 CB CYS B 60 17.155 -4.540 -1.486 1.00 61.33 C ATOM 2752 SG CYS B 60 17.621 -3.190 -2.599 1.00 51.44 S ATOM 0 H CYS B 60 16.317 -6.018 -3.404 1.00 55.34 H new ATOM 0 HA CYS B 60 18.824 -5.862 -1.911 1.00 41.12 H new ATOM 0 HB2 CYS B 60 16.068 -4.614 -1.459 1.00 61.33 H new ATOM 0 HB3 CYS B 60 17.483 -4.293 -0.476 1.00 61.33 H new ATOM 0 HG CYS B 60 18.250 -2.271 -1.928 1.00 51.44 H new ATOM 2758 N GLY B 61 16.777 -8.076 -1.173 1.00 52.15 N ATOM 2759 CA GLY B 61 16.445 -9.076 -0.157 1.00 21.54 C ATOM 2760 C GLY B 61 15.168 -9.855 -0.409 1.00 23.22 C ATOM 2761 O GLY B 61 14.572 -9.772 -1.486 1.00 4.11 O ATOM 0 H GLY B 61 16.519 -8.313 -2.131 1.00 52.15 H new ATOM 0 HA2 GLY B 61 17.273 -9.781 -0.081 1.00 21.54 H new ATOM 0 HA3 GLY B 61 16.362 -8.576 0.808 1.00 21.54 H new ATOM 2765 N SER B 62 14.747 -10.608 0.606 1.00 50.14 N ATOM 2766 CA SER B 62 13.575 -11.462 0.535 1.00 5.34 C ATOM 2767 C SER B 62 12.343 -10.721 1.061 1.00 71.32 C ATOM 2768 O SER B 62 12.357 -10.184 2.152 1.00 31.22 O ATOM 2769 CB SER B 62 13.813 -12.716 1.381 1.00 4.04 C ATOM 2770 OG SER B 62 14.997 -13.395 0.977 1.00 1.12 O ATOM 0 H SER B 62 15.220 -10.639 1.509 1.00 50.14 H new ATOM 0 HA SER B 62 13.401 -11.741 -0.504 1.00 5.34 H new ATOM 0 HB2 SER B 62 13.891 -12.439 2.432 1.00 4.04 H new ATOM 0 HB3 SER B 62 12.958 -13.386 1.291 1.00 4.04 H new ATOM 0 HG SER B 62 15.125 -14.190 1.535 1.00 1.12 H new ATOM 2776 N ILE B 63 11.308 -10.714 0.277 1.00 34.04 N ATOM 2777 CA ILE B 63 10.062 -10.016 0.576 1.00 32.15 C ATOM 2778 C ILE B 63 8.969 -10.941 1.174 1.00 11.14 C ATOM 2779 O ILE B 63 8.713 -12.031 0.661 1.00 71.15 O ATOM 2780 CB ILE B 63 9.543 -9.325 -0.720 1.00 31.25 C ATOM 2781 CG1 ILE B 63 10.525 -8.223 -1.148 1.00 72.04 C ATOM 2782 CG2 ILE B 63 8.139 -8.764 -0.536 1.00 43.55 C ATOM 2783 CD1 ILE B 63 10.186 -7.563 -2.460 1.00 44.13 C ATOM 0 H ILE B 63 11.291 -11.203 -0.618 1.00 34.04 H new ATOM 0 HA ILE B 63 10.278 -9.273 1.343 1.00 32.15 H new ATOM 0 HB ILE B 63 9.484 -10.075 -1.508 1.00 31.25 H new ATOM 0 HG12 ILE B 63 10.559 -7.461 -0.370 1.00 72.04 H new ATOM 0 HG13 ILE B 63 11.525 -8.651 -1.218 1.00 72.04 H new ATOM 0 HG21 ILE B 63 7.812 -8.290 -1.462 1.00 43.55 H new ATOM 0 HG22 ILE B 63 7.454 -9.573 -0.281 1.00 43.55 H new ATOM 0 HG23 ILE B 63 8.144 -8.027 0.267 1.00 43.55 H new ATOM 0 HD11 ILE B 63 10.930 -6.799 -2.686 1.00 44.13 H new ATOM 0 HD12 ILE B 63 10.182 -8.311 -3.253 1.00 44.13 H new ATOM 0 HD13 ILE B 63 9.201 -7.102 -2.391 1.00 44.13 H new ATOM 2795 N ASN B 64 8.354 -10.476 2.270 1.00 3.33 N ATOM 2796 CA ASN B 64 7.230 -11.167 2.940 1.00 3.12 C ATOM 2797 C ASN B 64 5.896 -10.574 2.575 1.00 11.24 C ATOM 2798 O ASN B 64 4.921 -11.291 2.408 1.00 63.25 O ATOM 2799 CB ASN B 64 7.353 -11.160 4.472 1.00 31.25 C ATOM 2800 CG ASN B 64 8.295 -12.197 5.018 1.00 72.24 C ATOM 2801 OD1 ASN B 64 8.486 -13.259 4.419 1.00 10.42 O ATOM 2802 ND2 ASN B 64 8.850 -11.934 6.168 1.00 32.33 N ATOM 0 H ASN B 64 8.621 -9.603 2.725 1.00 3.33 H new ATOM 0 HA ASN B 64 7.286 -12.195 2.582 1.00 3.12 H new ATOM 0 HB2 ASN B 64 7.689 -10.174 4.794 1.00 31.25 H new ATOM 0 HB3 ASN B 64 6.365 -11.318 4.906 1.00 31.25 H new ATOM 0 HD21 ASN B 64 9.468 -12.618 6.605 1.00 32.33 H new ATOM 0 HD22 ASN B 64 8.667 -11.044 6.631 1.00 32.33 H new ATOM 2809 N ARG B 65 5.847 -9.280 2.460 1.00 71.31 N ATOM 2810 CA ARG B 65 4.611 -8.576 2.155 1.00 2.35 C ATOM 2811 C ARG B 65 4.935 -7.311 1.435 1.00 54.32 C ATOM 2812 O ARG B 65 6.061 -6.834 1.512 1.00 52.31 O ATOM 2813 CB ARG B 65 3.830 -8.158 3.415 1.00 10.14 C ATOM 2814 CG ARG B 65 3.324 -9.237 4.355 1.00 34.34 C ATOM 2815 CD ARG B 65 2.503 -8.554 5.439 1.00 22.22 C ATOM 2816 NE ARG B 65 1.780 -9.469 6.334 1.00 70.10 N ATOM 2817 CZ ARG B 65 0.851 -9.042 7.212 1.00 15.32 C ATOM 2818 NH1 ARG B 65 0.624 -7.740 7.345 1.00 60.34 N ATOM 2819 NH2 ARG B 65 0.172 -9.902 7.961 1.00 13.42 N ATOM 0 H ARG B 65 6.657 -8.671 2.573 1.00 71.31 H new ATOM 0 HA ARG B 65 4.005 -9.264 1.565 1.00 2.35 H new ATOM 0 HB2 ARG B 65 4.469 -7.491 3.993 1.00 10.14 H new ATOM 0 HB3 ARG B 65 2.969 -7.573 3.091 1.00 10.14 H new ATOM 0 HG2 ARG B 65 2.716 -9.962 3.814 1.00 34.34 H new ATOM 0 HG3 ARG B 65 4.158 -9.785 4.794 1.00 34.34 H new ATOM 0 HD2 ARG B 65 3.166 -7.930 6.039 1.00 22.22 H new ATOM 0 HD3 ARG B 65 1.782 -7.888 4.964 1.00 22.22 H new ATOM 0 HE ARG B 65 1.990 -10.466 6.289 1.00 70.10 H new ATOM 0 HH11 ARG B 65 1.151 -7.071 6.785 1.00 60.34 H new ATOM 0 HH12 ARG B 65 -0.078 -7.410 8.008 1.00 60.34 H new ATOM 0 HH21 ARG B 65 0.350 -10.903 7.877 1.00 13.42 H new ATOM 0 HH22 ARG B 65 -0.528 -9.562 8.621 1.00 13.42 H new ATOM 2833 N ILE B 66 3.964 -6.768 0.751 1.00 62.43 N ATOM 2834 CA ILE B 66 4.087 -5.465 0.143 1.00 52.42 C ATOM 2835 C ILE B 66 2.707 -4.838 0.150 1.00 71.34 C ATOM 2836 O ILE B 66 1.694 -5.551 0.017 1.00 75.00 O ATOM 2837 CB ILE B 66 4.678 -5.424 -1.330 1.00 44.42 C ATOM 2838 CG1 ILE B 66 3.734 -5.962 -2.382 1.00 50.12 C ATOM 2839 CG2 ILE B 66 6.039 -6.095 -1.442 1.00 61.32 C ATOM 2840 CD1 ILE B 66 4.297 -5.841 -3.781 1.00 14.30 C ATOM 0 H ILE B 66 3.061 -7.216 0.598 1.00 62.43 H new ATOM 0 HA ILE B 66 4.822 -4.919 0.734 1.00 52.42 H new ATOM 0 HB ILE B 66 4.810 -4.362 -1.535 1.00 44.42 H new ATOM 0 HG12 ILE B 66 3.518 -7.009 -2.170 1.00 50.12 H new ATOM 0 HG13 ILE B 66 2.788 -5.423 -2.327 1.00 50.12 H new ATOM 0 HG21 ILE B 66 6.391 -6.035 -2.472 1.00 61.32 H new ATOM 0 HG22 ILE B 66 6.749 -5.590 -0.786 1.00 61.32 H new ATOM 0 HG23 ILE B 66 5.954 -7.141 -1.148 1.00 61.32 H new ATOM 0 HD11 ILE B 66 3.580 -6.242 -4.498 1.00 14.30 H new ATOM 0 HD12 ILE B 66 4.488 -4.792 -4.007 1.00 14.30 H new ATOM 0 HD13 ILE B 66 5.229 -6.402 -3.848 1.00 14.30 H new ATOM 2852 N THR B 67 2.651 -3.568 0.337 1.00 51.42 N ATOM 2853 CA THR B 67 1.412 -2.856 0.330 1.00 23.54 C ATOM 2854 C THR B 67 1.559 -1.783 -0.710 1.00 40.13 C ATOM 2855 O THR B 67 2.625 -1.226 -0.835 1.00 23.23 O ATOM 2856 CB THR B 67 1.106 -2.173 1.707 1.00 63.01 C ATOM 2857 OG1 THR B 67 2.029 -1.135 1.957 1.00 24.25 O ATOM 2858 CG2 THR B 67 1.194 -3.154 2.862 1.00 33.53 C ATOM 0 H THR B 67 3.470 -2.982 0.501 1.00 51.42 H new ATOM 0 HA THR B 67 0.595 -3.548 0.127 1.00 23.54 H new ATOM 0 HB THR B 67 0.090 -1.785 1.640 1.00 63.01 H new ATOM 0 HG1 THR B 67 1.671 -0.538 2.647 1.00 24.25 H new ATOM 0 HG21 THR B 67 0.975 -2.637 3.796 1.00 33.53 H new ATOM 0 HG22 THR B 67 0.472 -3.957 2.713 1.00 33.53 H new ATOM 0 HG23 THR B 67 2.199 -3.574 2.907 1.00 33.53 H new ATOM 2866 N ILE B 68 0.558 -1.525 -1.483 1.00 23.52 N ATOM 2867 CA ILE B 68 0.629 -0.444 -2.423 1.00 51.35 C ATOM 2868 C ILE B 68 -0.626 0.353 -2.232 1.00 64.02 C ATOM 2869 O ILE B 68 -1.698 -0.180 -2.357 1.00 42.22 O ATOM 2870 CB ILE B 68 0.678 -0.894 -3.936 1.00 3.14 C ATOM 2871 CG1 ILE B 68 1.644 -2.066 -4.204 1.00 63.21 C ATOM 2872 CG2 ILE B 68 1.058 0.285 -4.827 1.00 12.31 C ATOM 2873 CD1 ILE B 68 1.079 -3.431 -3.866 1.00 44.54 C ATOM 0 H ILE B 68 -0.320 -2.044 -1.487 1.00 23.52 H new ATOM 0 HA ILE B 68 1.553 0.103 -2.234 1.00 51.35 H new ATOM 0 HB ILE B 68 -0.325 -1.248 -4.174 1.00 3.14 H new ATOM 0 HG12 ILE B 68 1.928 -2.054 -5.256 1.00 63.21 H new ATOM 0 HG13 ILE B 68 2.555 -1.910 -3.626 1.00 63.21 H new ATOM 0 HG21 ILE B 68 1.088 -0.040 -5.867 1.00 12.31 H new ATOM 0 HG22 ILE B 68 0.319 1.078 -4.716 1.00 12.31 H new ATOM 0 HG23 ILE B 68 2.039 0.660 -4.536 1.00 12.31 H new ATOM 0 HD11 ILE B 68 1.823 -4.197 -4.085 1.00 44.54 H new ATOM 0 HD12 ILE B 68 0.822 -3.466 -2.807 1.00 44.54 H new ATOM 0 HD13 ILE B 68 0.185 -3.613 -4.463 1.00 44.54 H new ATOM 2885 N LEU B 69 -0.513 1.573 -1.862 1.00 43.25 N ATOM 2886 CA LEU B 69 -1.681 2.397 -1.710 1.00 2.21 C ATOM 2887 C LEU B 69 -1.629 3.613 -2.589 1.00 3.41 C ATOM 2888 O LEU B 69 -0.669 4.367 -2.554 1.00 63.52 O ATOM 2889 CB LEU B 69 -2.111 2.692 -0.243 1.00 45.41 C ATOM 2890 CG LEU B 69 -1.109 3.305 0.744 1.00 74.13 C ATOM 2891 CD1 LEU B 69 -1.850 3.697 2.011 1.00 71.24 C ATOM 2892 CD2 LEU B 69 -0.001 2.320 1.098 1.00 51.22 C ATOM 0 H LEU B 69 0.372 2.036 -1.655 1.00 43.25 H new ATOM 0 HA LEU B 69 -2.505 1.782 -2.072 1.00 2.21 H new ATOM 0 HB2 LEU B 69 -2.972 3.359 -0.286 1.00 45.41 H new ATOM 0 HB3 LEU B 69 -2.457 1.752 0.188 1.00 45.41 H new ATOM 0 HG LEU B 69 -0.651 4.176 0.276 1.00 74.13 H new ATOM 0 HD11 LEU B 69 -1.149 4.134 2.722 1.00 71.24 H new ATOM 0 HD12 LEU B 69 -2.624 4.426 1.769 1.00 71.24 H new ATOM 0 HD13 LEU B 69 -2.310 2.813 2.452 1.00 71.24 H new ATOM 0 HD21 LEU B 69 0.691 2.787 1.799 1.00 51.22 H new ATOM 0 HD22 LEU B 69 -0.436 1.432 1.556 1.00 51.22 H new ATOM 0 HD23 LEU B 69 0.536 2.036 0.193 1.00 51.22 H new ATOM 2904 N CYS B 70 -2.640 3.793 -3.379 1.00 42.00 N ATOM 2905 CA CYS B 70 -2.696 4.875 -4.327 1.00 4.35 C ATOM 2906 C CYS B 70 -3.847 5.793 -3.968 1.00 21.25 C ATOM 2907 O CYS B 70 -4.944 5.307 -3.675 1.00 63.22 O ATOM 2908 CB CYS B 70 -2.904 4.293 -5.721 1.00 61.34 C ATOM 2909 SG CYS B 70 -1.619 3.128 -6.235 1.00 10.15 S ATOM 0 H CYS B 70 -3.462 3.189 -3.389 1.00 42.00 H new ATOM 0 HA CYS B 70 -1.768 5.446 -4.307 1.00 4.35 H new ATOM 0 HB2 CYS B 70 -3.870 3.789 -5.752 1.00 61.34 H new ATOM 0 HB3 CYS B 70 -2.948 5.110 -6.441 1.00 61.34 H new ATOM 0 HG CYS B 70 -1.885 2.688 -7.429 1.00 10.15 H new ATOM 2915 N ASP B 71 -3.630 7.107 -3.954 1.00 33.55 N ATOM 2916 CA ASP B 71 -4.721 7.987 -3.601 1.00 61.11 C ATOM 2917 C ASP B 71 -5.001 8.983 -4.696 1.00 71.21 C ATOM 2918 O ASP B 71 -4.094 9.590 -5.266 1.00 11.22 O ATOM 2919 CB ASP B 71 -4.516 8.705 -2.245 1.00 74.04 C ATOM 2920 CG ASP B 71 -3.474 9.791 -2.262 1.00 44.23 C ATOM 2921 OD1 ASP B 71 -2.267 9.488 -2.304 1.00 73.20 O ATOM 2922 OD2 ASP B 71 -3.858 10.978 -2.196 1.00 42.33 O ATOM 0 H ASP B 71 -2.745 7.563 -4.174 1.00 33.55 H new ATOM 0 HA ASP B 71 -5.594 7.345 -3.483 1.00 61.11 H new ATOM 0 HB2 ASP B 71 -5.466 9.136 -1.930 1.00 74.04 H new ATOM 0 HB3 ASP B 71 -4.238 7.964 -1.495 1.00 74.04 H new ATOM 2927 N LYS B 72 -6.255 9.123 -4.998 1.00 43.21 N ATOM 2928 CA LYS B 72 -6.737 10.043 -5.998 1.00 71.42 C ATOM 2929 C LYS B 72 -7.611 11.051 -5.273 1.00 10.24 C ATOM 2930 O LYS B 72 -8.425 11.754 -5.871 1.00 60.10 O ATOM 2931 CB LYS B 72 -7.581 9.283 -7.016 1.00 12.10 C ATOM 2932 CG LYS B 72 -6.935 7.999 -7.517 1.00 42.20 C ATOM 2933 CD LYS B 72 -7.752 7.347 -8.605 1.00 4.22 C ATOM 2934 CE LYS B 72 -7.673 8.131 -9.903 1.00 75.20 C ATOM 2935 NZ LYS B 72 -8.517 7.537 -10.952 1.00 15.53 N ATOM 0 H LYS B 72 -6.997 8.588 -4.547 1.00 43.21 H new ATOM 0 HA LYS B 72 -5.914 10.532 -6.519 1.00 71.42 H new ATOM 0 HB2 LYS B 72 -8.545 9.042 -6.567 1.00 12.10 H new ATOM 0 HB3 LYS B 72 -7.780 9.934 -7.867 1.00 12.10 H new ATOM 0 HG2 LYS B 72 -5.936 8.218 -7.895 1.00 42.20 H new ATOM 0 HG3 LYS B 72 -6.816 7.304 -6.686 1.00 42.20 H new ATOM 0 HD2 LYS B 72 -7.395 6.330 -8.770 1.00 4.22 H new ATOM 0 HD3 LYS B 72 -8.792 7.272 -8.286 1.00 4.22 H new ATOM 0 HE2 LYS B 72 -7.984 9.160 -9.725 1.00 75.20 H new ATOM 0 HE3 LYS B 72 -6.639 8.165 -10.245 1.00 75.20 H new ATOM 0 HZ1 LYS B 72 -8.599 8.200 -11.749 1.00 15.53 H new ATOM 0 HZ2 LYS B 72 -8.087 6.650 -11.283 1.00 15.53 H new ATOM 0 HZ3 LYS B 72 -9.463 7.340 -10.567 1.00 15.53 H new ATOM 2949 N PHE B 73 -7.420 11.071 -3.958 1.00 64.32 N ATOM 2950 CA PHE B 73 -8.116 11.915 -2.982 1.00 34.25 C ATOM 2951 C PHE B 73 -8.243 13.380 -3.441 1.00 62.54 C ATOM 2952 O PHE B 73 -9.248 14.035 -3.174 1.00 34.11 O ATOM 2953 CB PHE B 73 -7.333 11.829 -1.648 1.00 74.32 C ATOM 2954 CG PHE B 73 -7.955 12.524 -0.467 1.00 53.53 C ATOM 2955 CD1 PHE B 73 -8.852 11.851 0.344 1.00 44.13 C ATOM 2956 CD2 PHE B 73 -7.636 13.836 -0.160 1.00 34.24 C ATOM 2957 CE1 PHE B 73 -9.423 12.472 1.436 1.00 72.40 C ATOM 2958 CE2 PHE B 73 -8.204 14.465 0.931 1.00 0.14 C ATOM 2959 CZ PHE B 73 -9.099 13.781 1.730 1.00 40.32 C ATOM 0 H PHE B 73 -6.733 10.462 -3.514 1.00 64.32 H new ATOM 0 HA PHE B 73 -9.137 11.551 -2.865 1.00 34.25 H new ATOM 0 HB2 PHE B 73 -7.200 10.777 -1.396 1.00 74.32 H new ATOM 0 HB3 PHE B 73 -6.339 12.246 -1.807 1.00 74.32 H new ATOM 0 HD1 PHE B 73 -9.108 10.826 0.119 1.00 44.13 H new ATOM 0 HD2 PHE B 73 -6.935 14.374 -0.781 1.00 34.24 H new ATOM 0 HE1 PHE B 73 -10.122 11.935 2.060 1.00 72.40 H new ATOM 0 HE2 PHE B 73 -7.949 15.489 1.159 1.00 0.14 H new ATOM 0 HZ PHE B 73 -9.545 14.270 2.584 1.00 40.32 H new ATOM 2969 N SER B 74 -7.251 13.865 -4.130 1.00 53.30 N ATOM 2970 CA SER B 74 -7.228 15.230 -4.592 1.00 54.30 C ATOM 2971 C SER B 74 -7.260 15.314 -6.142 1.00 20.40 C ATOM 2972 O SER B 74 -6.803 16.296 -6.726 1.00 74.41 O ATOM 2973 CB SER B 74 -5.984 15.907 -4.031 1.00 63.22 C ATOM 2974 OG SER B 74 -5.983 15.817 -2.611 1.00 4.33 O ATOM 0 H SER B 74 -6.427 13.323 -4.391 1.00 53.30 H new ATOM 0 HA SER B 74 -8.122 15.744 -4.237 1.00 54.30 H new ATOM 0 HB2 SER B 74 -5.089 15.434 -4.435 1.00 63.22 H new ATOM 0 HB3 SER B 74 -5.959 16.953 -4.338 1.00 63.22 H new ATOM 0 HG SER B 74 -5.180 16.252 -2.256 1.00 4.33 H new ATOM 2980 N GLY B 75 -7.822 14.303 -6.793 1.00 32.13 N ATOM 2981 CA GLY B 75 -7.972 14.345 -8.241 1.00 63.24 C ATOM 2982 C GLY B 75 -6.968 13.499 -8.989 1.00 63.42 C ATOM 2983 O GLY B 75 -7.339 12.561 -9.704 1.00 64.21 O ATOM 0 H GLY B 75 -8.177 13.456 -6.349 1.00 32.13 H new ATOM 0 HA2 GLY B 75 -8.977 14.013 -8.501 1.00 63.24 H new ATOM 0 HA3 GLY B 75 -7.881 15.378 -8.575 1.00 63.24 H new ATOM 2987 N HIS B 76 -5.708 13.808 -8.810 1.00 20.43 N ATOM 2988 CA HIS B 76 -4.637 13.109 -9.519 1.00 31.23 C ATOM 2989 C HIS B 76 -4.260 11.841 -8.778 1.00 64.44 C ATOM 2990 O HIS B 76 -4.265 11.822 -7.562 1.00 73.04 O ATOM 2991 CB HIS B 76 -3.406 14.014 -9.748 1.00 24.13 C ATOM 2992 CG HIS B 76 -3.605 15.081 -10.796 1.00 32.02 C ATOM 2993 ND1 HIS B 76 -2.632 15.437 -11.695 1.00 52.31 N ATOM 2994 CD2 HIS B 76 -4.662 15.877 -11.070 1.00 63.40 C ATOM 2995 CE1 HIS B 76 -3.078 16.394 -12.473 1.00 63.33 C ATOM 2996 NE2 HIS B 76 -4.305 16.682 -12.117 1.00 52.11 N ATOM 0 H HIS B 76 -5.386 14.541 -8.178 1.00 20.43 H new ATOM 0 HA HIS B 76 -5.011 12.837 -10.506 1.00 31.23 H new ATOM 0 HB2 HIS B 76 -3.141 14.492 -8.805 1.00 24.13 H new ATOM 0 HB3 HIS B 76 -2.560 13.390 -10.038 1.00 24.13 H new ATOM 0 HD2 HIS B 76 -5.613 15.878 -10.557 1.00 63.40 H new ATOM 0 HE1 HIS B 76 -2.526 16.865 -13.273 1.00 63.33 H new ATOM 0 HE2 HIS B 76 -4.898 17.391 -12.550 1.00 52.11 H new ATOM 3005 N PRO B 77 -3.958 10.753 -9.473 1.00 14.14 N ATOM 3006 CA PRO B 77 -3.615 9.516 -8.813 1.00 44.05 C ATOM 3007 C PRO B 77 -2.177 9.521 -8.311 1.00 11.43 C ATOM 3008 O PRO B 77 -1.225 9.674 -9.093 1.00 21.33 O ATOM 3009 CB PRO B 77 -3.788 8.452 -9.915 1.00 74.04 C ATOM 3010 CG PRO B 77 -4.228 9.185 -11.149 1.00 24.04 C ATOM 3011 CD PRO B 77 -3.914 10.628 -10.928 1.00 65.12 C ATOM 0 HA PRO B 77 -4.235 9.339 -7.934 1.00 44.05 H new ATOM 0 HB2 PRO B 77 -2.853 7.921 -10.092 1.00 74.04 H new ATOM 0 HB3 PRO B 77 -4.527 7.707 -9.622 1.00 74.04 H new ATOM 0 HG2 PRO B 77 -3.708 8.807 -12.029 1.00 24.04 H new ATOM 0 HG3 PRO B 77 -5.295 9.044 -11.323 1.00 24.04 H new ATOM 0 HD2 PRO B 77 -2.935 10.894 -11.327 1.00 65.12 H new ATOM 0 HD3 PRO B 77 -4.643 11.279 -11.412 1.00 65.12 H new ATOM 3019 N LYS B 78 -2.014 9.407 -7.015 1.00 61.44 N ATOM 3020 CA LYS B 78 -0.711 9.287 -6.406 1.00 64.14 C ATOM 3021 C LYS B 78 -0.567 7.919 -5.817 1.00 15.00 C ATOM 3022 O LYS B 78 -1.385 7.048 -6.084 1.00 61.41 O ATOM 3023 CB LYS B 78 -0.574 10.312 -5.293 1.00 53.33 C ATOM 3024 CG LYS B 78 -0.736 11.728 -5.756 1.00 40.21 C ATOM 3025 CD LYS B 78 -0.396 12.717 -4.653 1.00 75.44 C ATOM 3026 CE LYS B 78 -1.268 12.519 -3.437 1.00 12.43 C ATOM 3027 NZ LYS B 78 -2.686 12.738 -3.719 1.00 25.21 N ATOM 0 H LYS B 78 -2.786 9.395 -6.349 1.00 61.44 H new ATOM 0 HA LYS B 78 0.057 9.455 -7.161 1.00 64.14 H new ATOM 0 HB2 LYS B 78 -1.318 10.103 -4.525 1.00 53.33 H new ATOM 0 HB3 LYS B 78 0.405 10.201 -4.827 1.00 53.33 H new ATOM 0 HG2 LYS B 78 -0.092 11.906 -6.617 1.00 40.21 H new ATOM 0 HG3 LYS B 78 -1.762 11.889 -6.087 1.00 40.21 H new ATOM 0 HD2 LYS B 78 0.651 12.603 -4.372 1.00 75.44 H new ATOM 0 HD3 LYS B 78 -0.517 13.734 -5.026 1.00 75.44 H new ATOM 0 HE2 LYS B 78 -1.129 11.507 -3.056 1.00 12.43 H new ATOM 0 HE3 LYS B 78 -0.948 13.202 -2.650 1.00 12.43 H new ATOM 0 HZ1 LYS B 78 -3.018 13.575 -3.198 1.00 25.21 H new ATOM 0 HZ2 LYS B 78 -2.818 12.890 -4.739 1.00 25.21 H new ATOM 0 HZ3 LYS B 78 -3.232 11.905 -3.420 1.00 25.21 H new ATOM 3041 N GLY B 79 0.437 7.732 -4.995 1.00 35.44 N ATOM 3042 CA GLY B 79 0.625 6.464 -4.397 1.00 22.42 C ATOM 3043 C GLY B 79 1.912 6.327 -3.641 1.00 61.11 C ATOM 3044 O GLY B 79 2.873 7.085 -3.849 1.00 63.25 O ATOM 0 H GLY B 79 1.121 8.443 -4.737 1.00 35.44 H new ATOM 0 HA2 GLY B 79 -0.205 6.268 -3.718 1.00 22.42 H new ATOM 0 HA3 GLY B 79 0.589 5.700 -5.173 1.00 22.42 H new ATOM 3048 N TYR B 80 1.908 5.364 -2.762 1.00 43.42 N ATOM 3049 CA TYR B 80 3.031 4.976 -1.961 1.00 44.42 C ATOM 3050 C TYR B 80 2.875 3.519 -1.559 1.00 22.20 C ATOM 3051 O TYR B 80 1.763 3.015 -1.490 1.00 30.54 O ATOM 3052 CB TYR B 80 3.286 5.935 -0.773 1.00 70.53 C ATOM 3053 CG TYR B 80 2.111 6.224 0.144 1.00 20.45 C ATOM 3054 CD1 TYR B 80 1.173 7.191 -0.193 1.00 54.32 C ATOM 3055 CD2 TYR B 80 1.965 5.567 1.354 1.00 31.33 C ATOM 3056 CE1 TYR B 80 0.124 7.494 0.644 1.00 70.04 C ATOM 3057 CE2 TYR B 80 0.914 5.858 2.199 1.00 61.33 C ATOM 3058 CZ TYR B 80 -0.005 6.825 1.840 1.00 51.33 C ATOM 3059 OH TYR B 80 -1.048 7.126 2.685 1.00 50.43 O ATOM 0 H TYR B 80 1.078 4.801 -2.577 1.00 43.42 H new ATOM 0 HA TYR B 80 3.940 5.062 -2.557 1.00 44.42 H new ATOM 0 HB2 TYR B 80 4.093 5.519 -0.169 1.00 70.53 H new ATOM 0 HB3 TYR B 80 3.644 6.883 -1.174 1.00 70.53 H new ATOM 0 HD1 TYR B 80 1.269 7.716 -1.132 1.00 54.32 H new ATOM 0 HD2 TYR B 80 2.685 4.815 1.641 1.00 31.33 H new ATOM 0 HE1 TYR B 80 -0.593 8.252 0.365 1.00 70.04 H new ATOM 0 HE2 TYR B 80 0.810 5.332 3.137 1.00 61.33 H new ATOM 0 HH TYR B 80 -0.994 6.563 3.485 1.00 50.43 H new ATOM 3069 N ALA B 81 3.960 2.850 -1.338 1.00 11.45 N ATOM 3070 CA ALA B 81 3.945 1.430 -1.092 1.00 31.42 C ATOM 3071 C ALA B 81 4.859 1.070 0.057 1.00 65.21 C ATOM 3072 O ALA B 81 5.765 1.789 0.355 1.00 65.22 O ATOM 3073 CB ALA B 81 4.397 0.705 -2.358 1.00 12.04 C ATOM 0 H ALA B 81 4.890 3.268 -1.321 1.00 11.45 H new ATOM 0 HA ALA B 81 2.932 1.127 -0.826 1.00 31.42 H new ATOM 0 HB1 ALA B 81 4.390 -0.371 -2.183 1.00 12.04 H new ATOM 0 HB2 ALA B 81 3.718 0.945 -3.176 1.00 12.04 H new ATOM 0 HB3 ALA B 81 5.406 1.023 -2.619 1.00 12.04 H new ATOM 3079 N TYR B 82 4.581 -0.009 0.719 1.00 41.44 N ATOM 3080 CA TYR B 82 5.443 -0.521 1.771 1.00 42.32 C ATOM 3081 C TYR B 82 5.912 -1.890 1.425 1.00 53.41 C ATOM 3082 O TYR B 82 5.115 -2.749 1.102 1.00 70.34 O ATOM 3083 CB TYR B 82 4.724 -0.558 3.109 1.00 74.11 C ATOM 3084 CG TYR B 82 4.498 0.779 3.736 1.00 2.24 C ATOM 3085 CD1 TYR B 82 3.586 1.677 3.216 1.00 5.03 C ATOM 3086 CD2 TYR B 82 5.206 1.143 4.856 1.00 61.51 C ATOM 3087 CE1 TYR B 82 3.390 2.897 3.808 1.00 63.53 C ATOM 3088 CE2 TYR B 82 5.018 2.358 5.452 1.00 1.01 C ATOM 3089 CZ TYR B 82 4.111 3.227 4.929 1.00 75.45 C ATOM 3090 OH TYR B 82 3.939 4.437 5.515 1.00 51.05 O ATOM 0 H TYR B 82 3.747 -0.573 0.554 1.00 41.44 H new ATOM 0 HA TYR B 82 6.296 0.152 1.857 1.00 42.32 H new ATOM 0 HB2 TYR B 82 3.760 -1.048 2.974 1.00 74.11 H new ATOM 0 HB3 TYR B 82 5.301 -1.174 3.799 1.00 74.11 H new ATOM 0 HD1 TYR B 82 3.022 1.415 2.333 1.00 5.03 H new ATOM 0 HD2 TYR B 82 5.926 0.455 5.274 1.00 61.51 H new ATOM 0 HE1 TYR B 82 2.674 3.593 3.396 1.00 63.53 H new ATOM 0 HE2 TYR B 82 5.585 2.626 6.331 1.00 1.01 H new ATOM 0 HH TYR B 82 4.389 5.125 4.982 1.00 51.05 H new ATOM 3100 N ILE B 83 7.190 -2.099 1.456 1.00 22.20 N ATOM 3101 CA ILE B 83 7.737 -3.390 1.151 1.00 22.24 C ATOM 3102 C ILE B 83 8.237 -3.999 2.462 1.00 64.11 C ATOM 3103 O ILE B 83 9.091 -3.422 3.129 1.00 25.43 O ATOM 3104 CB ILE B 83 8.941 -3.247 0.177 1.00 12.20 C ATOM 3105 CG1 ILE B 83 8.572 -2.308 -1.000 1.00 4.21 C ATOM 3106 CG2 ILE B 83 9.352 -4.609 -0.356 1.00 62.35 C ATOM 3107 CD1 ILE B 83 7.439 -2.788 -1.895 1.00 11.12 C ATOM 0 H ILE B 83 7.882 -1.388 1.691 1.00 22.20 H new ATOM 0 HA ILE B 83 6.977 -4.016 0.683 1.00 22.24 H new ATOM 0 HB ILE B 83 9.779 -2.815 0.724 1.00 12.20 H new ATOM 0 HG12 ILE B 83 8.301 -1.334 -0.593 1.00 4.21 H new ATOM 0 HG13 ILE B 83 9.459 -2.161 -1.615 1.00 4.21 H new ATOM 0 HG21 ILE B 83 10.196 -4.494 -1.036 1.00 62.35 H new ATOM 0 HG22 ILE B 83 9.641 -5.253 0.475 1.00 62.35 H new ATOM 0 HG23 ILE B 83 8.515 -5.059 -0.889 1.00 62.35 H new ATOM 0 HD11 ILE B 83 7.264 -2.057 -2.684 1.00 11.12 H new ATOM 0 HD12 ILE B 83 7.708 -3.746 -2.341 1.00 11.12 H new ATOM 0 HD13 ILE B 83 6.532 -2.906 -1.302 1.00 11.12 H new ATOM 3119 N GLU B 84 7.688 -5.108 2.847 1.00 4.21 N ATOM 3120 CA GLU B 84 8.083 -5.759 4.073 1.00 13.22 C ATOM 3121 C GLU B 84 8.920 -6.981 3.770 1.00 71.15 C ATOM 3122 O GLU B 84 8.475 -7.910 3.084 1.00 24.12 O ATOM 3123 CB GLU B 84 6.838 -6.072 4.901 1.00 35.34 C ATOM 3124 CG GLU B 84 6.104 -4.779 5.247 1.00 12.31 C ATOM 3125 CD GLU B 84 4.773 -4.904 5.911 1.00 44.22 C ATOM 3126 OE1 GLU B 84 3.923 -5.685 5.443 1.00 31.52 O ATOM 3127 OE2 GLU B 84 4.549 -4.148 6.892 1.00 13.53 O ATOM 0 H GLU B 84 6.955 -5.592 2.328 1.00 4.21 H new ATOM 0 HA GLU B 84 8.712 -5.098 4.670 1.00 13.22 H new ATOM 0 HB2 GLU B 84 6.178 -6.737 4.344 1.00 35.34 H new ATOM 0 HB3 GLU B 84 7.120 -6.595 5.814 1.00 35.34 H new ATOM 0 HG2 GLU B 84 6.750 -4.187 5.896 1.00 12.31 H new ATOM 0 HG3 GLU B 84 5.970 -4.211 4.327 1.00 12.31 H new ATOM 3134 N PHE B 85 10.135 -6.972 4.259 1.00 71.32 N ATOM 3135 CA PHE B 85 11.081 -8.017 3.983 1.00 61.04 C ATOM 3136 C PHE B 85 11.110 -9.067 5.072 1.00 23.23 C ATOM 3137 O PHE B 85 10.617 -8.861 6.173 1.00 14.10 O ATOM 3138 CB PHE B 85 12.486 -7.449 3.815 1.00 62.32 C ATOM 3139 CG PHE B 85 12.660 -6.484 2.681 1.00 32.53 C ATOM 3140 CD1 PHE B 85 12.868 -6.942 1.389 1.00 31.12 C ATOM 3141 CD2 PHE B 85 12.641 -5.123 2.907 1.00 51.02 C ATOM 3142 CE1 PHE B 85 13.049 -6.058 0.351 1.00 31.42 C ATOM 3143 CE2 PHE B 85 12.823 -4.239 1.874 1.00 71.50 C ATOM 3144 CZ PHE B 85 13.026 -4.704 0.596 1.00 1.50 C ATOM 0 H PHE B 85 10.495 -6.233 4.863 1.00 71.32 H new ATOM 0 HA PHE B 85 10.755 -8.487 3.055 1.00 61.04 H new ATOM 0 HB2 PHE B 85 12.770 -6.950 4.741 1.00 62.32 H new ATOM 0 HB3 PHE B 85 13.180 -8.278 3.674 1.00 62.32 H new ATOM 0 HD1 PHE B 85 12.888 -8.004 1.196 1.00 31.12 H new ATOM 0 HD2 PHE B 85 12.481 -4.750 3.908 1.00 51.02 H new ATOM 0 HE1 PHE B 85 13.209 -6.425 -0.652 1.00 31.42 H new ATOM 0 HE2 PHE B 85 12.807 -3.176 2.065 1.00 71.50 H new ATOM 0 HZ PHE B 85 13.167 -4.006 -0.216 1.00 1.50 H new ATOM 3154 N ALA B 86 11.658 -10.210 4.721 1.00 23.30 N ATOM 3155 CA ALA B 86 11.873 -11.296 5.647 1.00 54.20 C ATOM 3156 C ALA B 86 13.104 -11.052 6.502 1.00 1.10 C ATOM 3157 O ALA B 86 13.166 -11.477 7.648 1.00 64.24 O ATOM 3158 CB ALA B 86 12.004 -12.607 4.885 1.00 2.41 C ATOM 0 H ALA B 86 11.970 -10.412 3.771 1.00 23.30 H new ATOM 0 HA ALA B 86 11.013 -11.356 6.313 1.00 54.20 H new ATOM 0 HB1 ALA B 86 12.166 -13.423 5.590 1.00 2.41 H new ATOM 0 HB2 ALA B 86 11.091 -12.792 4.320 1.00 2.41 H new ATOM 0 HB3 ALA B 86 12.849 -12.546 4.199 1.00 2.41 H new ATOM 3164 N GLU B 87 14.094 -10.382 5.947 1.00 33.21 N ATOM 3165 CA GLU B 87 15.283 -10.096 6.703 1.00 52.33 C ATOM 3166 C GLU B 87 15.358 -8.592 7.031 1.00 65.55 C ATOM 3167 O GLU B 87 14.927 -7.746 6.243 1.00 5.05 O ATOM 3168 CB GLU B 87 16.534 -10.538 5.930 1.00 1.10 C ATOM 3169 CG GLU B 87 17.561 -11.269 6.794 1.00 64.23 C ATOM 3170 CD GLU B 87 17.879 -10.521 8.053 1.00 2.02 C ATOM 3171 OE1 GLU B 87 18.726 -9.629 8.027 1.00 44.02 O ATOM 3172 OE2 GLU B 87 17.232 -10.786 9.088 1.00 60.32 O ATOM 0 H GLU B 87 14.095 -10.032 4.989 1.00 33.21 H new ATOM 0 HA GLU B 87 15.241 -10.656 7.637 1.00 52.33 H new ATOM 0 HB2 GLU B 87 16.233 -11.189 5.110 1.00 1.10 H new ATOM 0 HB3 GLU B 87 17.004 -9.661 5.485 1.00 1.10 H new ATOM 0 HG2 GLU B 87 17.181 -12.258 7.048 1.00 64.23 H new ATOM 0 HG3 GLU B 87 18.476 -11.417 6.220 1.00 64.23 H new ATOM 3179 N ARG B 88 15.911 -8.273 8.191 1.00 32.04 N ATOM 3180 CA ARG B 88 16.051 -6.894 8.653 1.00 33.04 C ATOM 3181 C ARG B 88 17.197 -6.235 7.851 1.00 70.53 C ATOM 3182 O ARG B 88 17.216 -5.025 7.630 1.00 0.10 O ATOM 3183 CB ARG B 88 16.342 -6.916 10.188 1.00 20.30 C ATOM 3184 CG ARG B 88 16.116 -5.609 11.003 1.00 50.42 C ATOM 3185 CD ARG B 88 16.998 -4.445 10.595 1.00 22.44 C ATOM 3186 NE ARG B 88 18.425 -4.793 10.637 1.00 62.34 N ATOM 3187 CZ ARG B 88 19.432 -3.958 10.356 1.00 53.23 C ATOM 3188 NH1 ARG B 88 19.192 -2.680 10.052 1.00 73.43 N ATOM 3189 NH2 ARG B 88 20.680 -4.407 10.377 1.00 24.35 N ATOM 0 H ARG B 88 16.278 -8.965 8.844 1.00 32.04 H new ATOM 0 HA ARG B 88 15.143 -6.313 8.492 1.00 33.04 H new ATOM 0 HB2 ARG B 88 15.723 -7.695 10.632 1.00 20.30 H new ATOM 0 HB3 ARG B 88 17.381 -7.217 10.325 1.00 20.30 H new ATOM 0 HG2 ARG B 88 15.073 -5.310 10.901 1.00 50.42 H new ATOM 0 HG3 ARG B 88 16.285 -5.822 12.059 1.00 50.42 H new ATOM 0 HD2 ARG B 88 16.733 -4.125 9.587 1.00 22.44 H new ATOM 0 HD3 ARG B 88 16.812 -3.600 11.257 1.00 22.44 H new ATOM 0 HE ARG B 88 18.667 -5.748 10.902 1.00 62.34 H new ATOM 0 HH11 ARG B 88 18.233 -2.332 10.032 1.00 73.43 H new ATOM 0 HH12 ARG B 88 19.967 -2.052 9.839 1.00 73.43 H new ATOM 0 HH21 ARG B 88 20.867 -5.383 10.606 1.00 24.35 H new ATOM 0 HH22 ARG B 88 21.453 -3.776 10.164 1.00 24.35 H new ATOM 3203 N ASN B 89 18.129 -7.035 7.383 1.00 64.02 N ATOM 3204 CA ASN B 89 19.198 -6.494 6.574 1.00 2.24 C ATOM 3205 C ASN B 89 18.713 -6.106 5.199 1.00 54.01 C ATOM 3206 O ASN B 89 19.344 -5.294 4.524 1.00 43.34 O ATOM 3207 CB ASN B 89 20.442 -7.386 6.473 1.00 71.20 C ATOM 3208 CG ASN B 89 21.144 -7.602 7.802 1.00 53.23 C ATOM 3209 OD1 ASN B 89 20.954 -6.855 8.750 1.00 60.24 O ATOM 3210 ND2 ASN B 89 22.037 -8.534 7.845 1.00 22.24 N ATOM 0 H ASN B 89 18.170 -8.041 7.544 1.00 64.02 H new ATOM 0 HA ASN B 89 19.518 -5.600 7.109 1.00 2.24 H new ATOM 0 HB2 ASN B 89 20.153 -8.354 6.063 1.00 71.20 H new ATOM 0 HB3 ASN B 89 21.144 -6.938 5.769 1.00 71.20 H new ATOM 0 HD21 ASN B 89 22.603 -8.660 8.684 1.00 22.24 H new ATOM 0 HD22 ASN B 89 22.176 -9.145 7.040 1.00 22.24 H new ATOM 3217 N SER B 90 17.581 -6.660 4.776 1.00 21.44 N ATOM 3218 CA SER B 90 17.025 -6.355 3.483 1.00 51.13 C ATOM 3219 C SER B 90 16.503 -4.912 3.449 1.00 62.40 C ATOM 3220 O SER B 90 16.650 -4.222 2.445 1.00 53.03 O ATOM 3221 CB SER B 90 15.911 -7.335 3.164 1.00 13.33 C ATOM 3222 OG SER B 90 16.358 -8.679 3.260 1.00 44.02 O ATOM 0 H SER B 90 17.035 -7.326 5.322 1.00 21.44 H new ATOM 0 HA SER B 90 17.806 -6.449 2.728 1.00 51.13 H new ATOM 0 HB2 SER B 90 15.079 -7.177 3.850 1.00 13.33 H new ATOM 0 HB3 SER B 90 15.536 -7.146 2.158 1.00 13.33 H new ATOM 0 HG SER B 90 15.617 -9.286 3.051 1.00 44.02 H new ATOM 3228 N VAL B 91 15.917 -4.450 4.563 1.00 61.20 N ATOM 3229 CA VAL B 91 15.487 -3.053 4.650 1.00 1.22 C ATOM 3230 C VAL B 91 16.688 -2.146 4.646 1.00 52.35 C ATOM 3231 O VAL B 91 16.680 -1.102 3.998 1.00 15.14 O ATOM 3232 CB VAL B 91 14.471 -2.740 5.837 1.00 11.31 C ATOM 3233 CG1 VAL B 91 14.722 -3.609 7.003 1.00 31.00 C ATOM 3234 CG2 VAL B 91 14.574 -1.282 6.308 1.00 1.32 C ATOM 0 H VAL B 91 15.734 -5.010 5.396 1.00 61.20 H new ATOM 0 HA VAL B 91 14.894 -2.851 3.758 1.00 1.22 H new ATOM 0 HB VAL B 91 13.475 -2.927 5.436 1.00 11.31 H new ATOM 0 HG11 VAL B 91 14.012 -3.370 7.795 1.00 31.00 H new ATOM 0 HG12 VAL B 91 14.602 -4.652 6.712 1.00 31.00 H new ATOM 0 HG13 VAL B 91 15.737 -3.448 7.365 1.00 31.00 H new ATOM 0 HG21 VAL B 91 13.865 -1.110 7.118 1.00 1.32 H new ATOM 0 HG22 VAL B 91 15.585 -1.085 6.663 1.00 1.32 H new ATOM 0 HG23 VAL B 91 14.345 -0.614 5.477 1.00 1.32 H new ATOM 3244 N ASP B 92 17.741 -2.566 5.333 1.00 12.32 N ATOM 3245 CA ASP B 92 19.006 -1.838 5.348 1.00 23.14 C ATOM 3246 C ASP B 92 19.572 -1.696 3.917 1.00 12.44 C ATOM 3247 O ASP B 92 20.153 -0.670 3.559 1.00 62.10 O ATOM 3248 CB ASP B 92 19.994 -2.592 6.234 1.00 74.14 C ATOM 3249 CG ASP B 92 21.312 -1.883 6.399 1.00 41.32 C ATOM 3250 OD1 ASP B 92 21.386 -0.929 7.164 1.00 44.11 O ATOM 3251 OD2 ASP B 92 22.293 -2.292 5.783 1.00 31.32 O ATOM 0 H ASP B 92 17.745 -3.418 5.894 1.00 12.32 H new ATOM 0 HA ASP B 92 18.843 -0.836 5.744 1.00 23.14 H new ATOM 0 HB2 ASP B 92 19.547 -2.744 7.216 1.00 74.14 H new ATOM 0 HB3 ASP B 92 20.172 -3.579 5.808 1.00 74.14 H new ATOM 3256 N ALA B 93 19.392 -2.733 3.116 1.00 60.11 N ATOM 3257 CA ALA B 93 19.804 -2.720 1.717 1.00 11.24 C ATOM 3258 C ALA B 93 18.851 -1.860 0.864 1.00 62.15 C ATOM 3259 O ALA B 93 19.259 -1.248 -0.123 1.00 24.13 O ATOM 3260 CB ALA B 93 19.875 -4.138 1.172 1.00 34.45 C ATOM 0 H ALA B 93 18.958 -3.607 3.413 1.00 60.11 H new ATOM 0 HA ALA B 93 20.797 -2.274 1.662 1.00 11.24 H new ATOM 0 HB1 ALA B 93 20.184 -4.111 0.127 1.00 34.45 H new ATOM 0 HB2 ALA B 93 20.598 -4.714 1.749 1.00 34.45 H new ATOM 0 HB3 ALA B 93 18.894 -4.607 1.248 1.00 34.45 H new ATOM 3266 N ALA B 94 17.587 -1.822 1.258 1.00 43.31 N ATOM 3267 CA ALA B 94 16.564 -1.084 0.524 1.00 61.21 C ATOM 3268 C ALA B 94 16.687 0.415 0.766 1.00 20.23 C ATOM 3269 O ALA B 94 16.576 1.201 -0.162 1.00 63.54 O ATOM 3270 CB ALA B 94 15.172 -1.582 0.887 1.00 43.35 C ATOM 0 H ALA B 94 17.240 -2.298 2.091 1.00 43.31 H new ATOM 0 HA ALA B 94 16.721 -1.263 -0.540 1.00 61.21 H new ATOM 0 HB1 ALA B 94 14.426 -1.017 0.328 1.00 43.35 H new ATOM 0 HB2 ALA B 94 15.088 -2.640 0.638 1.00 43.35 H new ATOM 0 HB3 ALA B 94 15.004 -1.446 1.955 1.00 43.35 H new ATOM 3276 N VAL B 95 16.916 0.799 2.023 1.00 62.42 N ATOM 3277 CA VAL B 95 17.119 2.214 2.391 1.00 54.25 C ATOM 3278 C VAL B 95 18.278 2.863 1.629 1.00 64.41 C ATOM 3279 O VAL B 95 18.330 4.070 1.494 1.00 53.13 O ATOM 3280 CB VAL B 95 17.261 2.480 3.918 1.00 43.24 C ATOM 3281 CG1 VAL B 95 16.009 2.036 4.644 1.00 73.34 C ATOM 3282 CG2 VAL B 95 18.479 1.803 4.503 1.00 63.45 C ATOM 0 H VAL B 95 16.967 0.153 2.810 1.00 62.42 H new ATOM 0 HA VAL B 95 16.188 2.691 2.084 1.00 54.25 H new ATOM 0 HB VAL B 95 17.393 3.554 4.053 1.00 43.24 H new ATOM 0 HG11 VAL B 95 16.120 2.227 5.711 1.00 73.34 H new ATOM 0 HG12 VAL B 95 15.152 2.591 4.263 1.00 73.34 H new ATOM 0 HG13 VAL B 95 15.853 0.970 4.481 1.00 73.34 H new ATOM 0 HG21 VAL B 95 18.537 2.017 5.570 1.00 63.45 H new ATOM 0 HG22 VAL B 95 18.404 0.726 4.352 1.00 63.45 H new ATOM 0 HG23 VAL B 95 19.376 2.177 4.009 1.00 63.45 H new ATOM 3292 N ALA B 96 19.204 2.047 1.127 1.00 54.13 N ATOM 3293 CA ALA B 96 20.313 2.551 0.316 1.00 71.20 C ATOM 3294 C ALA B 96 19.792 3.100 -1.034 1.00 2.35 C ATOM 3295 O ALA B 96 20.487 3.828 -1.735 1.00 2.15 O ATOM 3296 CB ALA B 96 21.349 1.462 0.101 1.00 1.25 C ATOM 0 H ALA B 96 19.209 1.037 1.267 1.00 54.13 H new ATOM 0 HA ALA B 96 20.792 3.372 0.850 1.00 71.20 H new ATOM 0 HB1 ALA B 96 22.167 1.853 -0.504 1.00 1.25 H new ATOM 0 HB2 ALA B 96 21.736 1.132 1.065 1.00 1.25 H new ATOM 0 HB3 ALA B 96 20.889 0.618 -0.413 1.00 1.25 H new ATOM 3302 N MET B 97 18.554 2.739 -1.365 1.00 33.24 N ATOM 3303 CA MET B 97 17.856 3.227 -2.563 1.00 53.21 C ATOM 3304 C MET B 97 16.915 4.364 -2.230 1.00 50.45 C ATOM 3305 O MET B 97 16.055 4.706 -3.040 1.00 4.14 O ATOM 3306 CB MET B 97 17.050 2.135 -3.272 1.00 1.14 C ATOM 3307 CG MET B 97 17.767 1.395 -4.369 1.00 12.52 C ATOM 3308 SD MET B 97 16.657 0.356 -5.369 1.00 75.21 S ATOM 3309 CE MET B 97 15.651 -0.442 -4.116 1.00 23.41 C ATOM 0 H MET B 97 17.997 2.093 -0.806 1.00 33.24 H new ATOM 0 HA MET B 97 18.644 3.571 -3.233 1.00 53.21 H new ATOM 0 HB2 MET B 97 16.722 1.411 -2.526 1.00 1.14 H new ATOM 0 HB3 MET B 97 16.152 2.588 -3.693 1.00 1.14 H new ATOM 0 HG2 MET B 97 18.266 2.114 -5.019 1.00 12.52 H new ATOM 0 HG3 MET B 97 18.544 0.769 -3.930 1.00 12.52 H new ATOM 0 HE1 MET B 97 15.265 -1.384 -4.505 1.00 23.41 H new ATOM 0 HE2 MET B 97 16.258 -0.636 -3.231 1.00 23.41 H new ATOM 0 HE3 MET B 97 14.818 0.209 -3.849 1.00 23.41 H new ATOM 3319 N ASP B 98 17.096 4.945 -1.043 1.00 72.12 N ATOM 3320 CA ASP B 98 16.308 6.093 -0.536 1.00 2.23 C ATOM 3321 C ASP B 98 15.860 7.087 -1.608 1.00 42.24 C ATOM 3322 O ASP B 98 14.677 7.401 -1.669 1.00 75.55 O ATOM 3323 CB ASP B 98 17.123 6.797 0.538 1.00 75.43 C ATOM 3324 CG ASP B 98 16.577 8.135 0.968 1.00 71.41 C ATOM 3325 OD1 ASP B 98 15.772 8.178 1.891 1.00 22.05 O ATOM 3326 OD2 ASP B 98 16.970 9.176 0.388 1.00 71.04 O ATOM 0 H ASP B 98 17.809 4.631 -0.385 1.00 72.12 H new ATOM 0 HA ASP B 98 15.380 5.688 -0.132 1.00 2.23 H new ATOM 0 HB2 ASP B 98 17.186 6.148 1.411 1.00 75.43 H new ATOM 0 HB3 ASP B 98 18.140 6.936 0.171 1.00 75.43 H new ATOM 3331 N GLU B 99 16.754 7.588 -2.431 1.00 63.11 N ATOM 3332 CA GLU B 99 16.306 8.426 -3.517 1.00 11.33 C ATOM 3333 C GLU B 99 16.785 7.884 -4.869 1.00 11.51 C ATOM 3334 O GLU B 99 17.655 8.456 -5.533 1.00 34.30 O ATOM 3335 CB GLU B 99 16.680 9.897 -3.287 1.00 63.54 C ATOM 3336 CG GLU B 99 16.152 10.852 -4.334 1.00 30.32 C ATOM 3337 CD GLU B 99 16.440 12.283 -4.003 1.00 31.02 C ATOM 3338 OE1 GLU B 99 17.559 12.758 -4.283 1.00 71.43 O ATOM 3339 OE2 GLU B 99 15.547 12.960 -3.451 1.00 22.33 O ATOM 0 H GLU B 99 17.761 7.437 -2.374 1.00 63.11 H new ATOM 0 HA GLU B 99 15.217 8.396 -3.543 1.00 11.33 H new ATOM 0 HB2 GLU B 99 16.305 10.205 -2.311 1.00 63.54 H new ATOM 0 HB3 GLU B 99 17.766 9.981 -3.252 1.00 63.54 H new ATOM 0 HG2 GLU B 99 16.596 10.609 -5.299 1.00 30.32 H new ATOM 0 HG3 GLU B 99 15.075 10.716 -4.435 1.00 30.32 H new ATOM 3346 N THR B 100 16.295 6.716 -5.196 1.00 32.05 N ATOM 3347 CA THR B 100 16.591 6.103 -6.465 1.00 15.24 C ATOM 3348 C THR B 100 15.444 6.367 -7.461 1.00 15.34 C ATOM 3349 O THR B 100 14.463 7.053 -7.137 1.00 3.42 O ATOM 3350 CB THR B 100 16.837 4.565 -6.316 1.00 64.42 C ATOM 3351 OG1 THR B 100 17.407 4.031 -7.530 1.00 41.14 O ATOM 3352 CG2 THR B 100 15.527 3.827 -6.032 1.00 65.43 C ATOM 0 H THR B 100 15.683 6.166 -4.594 1.00 32.05 H new ATOM 0 HA THR B 100 17.508 6.550 -6.848 1.00 15.24 H new ATOM 0 HB THR B 100 17.524 4.420 -5.482 1.00 64.42 H new ATOM 0 HG1 THR B 100 17.558 3.068 -7.425 1.00 41.14 H new ATOM 0 HG21 THR B 100 15.725 2.760 -5.933 1.00 65.43 H new ATOM 0 HG22 THR B 100 15.091 4.203 -5.106 1.00 65.43 H new ATOM 0 HG23 THR B 100 14.831 3.992 -6.854 1.00 65.43 H new ATOM 3360 N VAL B 101 15.566 5.823 -8.639 1.00 33.35 N ATOM 3361 CA VAL B 101 14.581 5.983 -9.653 1.00 21.54 C ATOM 3362 C VAL B 101 13.832 4.665 -9.855 1.00 34.13 C ATOM 3363 O VAL B 101 14.431 3.583 -9.875 1.00 13.11 O ATOM 3364 CB VAL B 101 15.211 6.482 -10.989 1.00 33.33 C ATOM 3365 CG1 VAL B 101 16.241 5.496 -11.531 1.00 41.04 C ATOM 3366 CG2 VAL B 101 14.141 6.780 -12.026 1.00 51.03 C ATOM 0 H VAL B 101 16.363 5.251 -8.918 1.00 33.35 H new ATOM 0 HA VAL B 101 13.873 6.746 -9.331 1.00 21.54 H new ATOM 0 HB VAL B 101 15.734 7.413 -10.770 1.00 33.33 H new ATOM 0 HG11 VAL B 101 16.657 5.880 -12.463 1.00 41.04 H new ATOM 0 HG12 VAL B 101 17.041 5.368 -10.802 1.00 41.04 H new ATOM 0 HG13 VAL B 101 15.762 4.535 -11.716 1.00 41.04 H new ATOM 0 HG21 VAL B 101 14.612 7.126 -12.946 1.00 51.03 H new ATOM 0 HG22 VAL B 101 13.569 5.875 -12.229 1.00 51.03 H new ATOM 0 HG23 VAL B 101 13.473 7.554 -11.648 1.00 51.03 H new ATOM 3376 N PHE B 102 12.542 4.755 -9.934 1.00 33.31 N ATOM 3377 CA PHE B 102 11.704 3.624 -10.163 1.00 5.53 C ATOM 3378 C PHE B 102 10.743 3.940 -11.292 1.00 11.44 C ATOM 3379 O PHE B 102 9.914 4.844 -11.176 1.00 14.32 O ATOM 3380 CB PHE B 102 10.960 3.269 -8.874 1.00 31.23 C ATOM 3381 CG PHE B 102 10.022 2.110 -8.983 1.00 61.43 C ATOM 3382 CD1 PHE B 102 10.501 0.816 -9.028 1.00 34.11 C ATOM 3383 CD2 PHE B 102 8.658 2.316 -9.039 1.00 21.22 C ATOM 3384 CE1 PHE B 102 9.637 -0.250 -9.126 1.00 22.22 C ATOM 3385 CE2 PHE B 102 7.791 1.258 -9.136 1.00 11.33 C ATOM 3386 CZ PHE B 102 8.279 -0.030 -9.179 1.00 22.35 C ATOM 0 H PHE B 102 12.033 5.634 -9.839 1.00 33.31 H new ATOM 0 HA PHE B 102 12.302 2.760 -10.453 1.00 5.53 H new ATOM 0 HB2 PHE B 102 11.693 3.051 -8.097 1.00 31.23 H new ATOM 0 HB3 PHE B 102 10.397 4.143 -8.545 1.00 31.23 H new ATOM 0 HD1 PHE B 102 11.566 0.639 -8.986 1.00 34.11 H new ATOM 0 HD2 PHE B 102 8.269 3.323 -9.006 1.00 21.22 H new ATOM 0 HE1 PHE B 102 10.023 -1.258 -9.161 1.00 22.22 H new ATOM 0 HE2 PHE B 102 6.726 1.434 -9.179 1.00 11.33 H new ATOM 0 HZ PHE B 102 7.598 -0.865 -9.254 1.00 22.35 H new ATOM 3396 N ARG B 103 10.881 3.201 -12.387 1.00 44.12 N ATOM 3397 CA ARG B 103 10.089 3.346 -13.623 1.00 21.51 C ATOM 3398 C ARG B 103 10.042 4.806 -14.118 1.00 41.25 C ATOM 3399 O ARG B 103 9.081 5.235 -14.754 1.00 23.11 O ATOM 3400 CB ARG B 103 8.675 2.780 -13.405 1.00 12.44 C ATOM 3401 CG ARG B 103 8.674 1.328 -12.914 1.00 43.32 C ATOM 3402 CD ARG B 103 7.267 0.771 -12.785 1.00 75.23 C ATOM 3403 NE ARG B 103 6.626 0.564 -14.086 1.00 74.54 N ATOM 3404 CZ ARG B 103 5.523 1.181 -14.517 1.00 13.41 C ATOM 3405 NH1 ARG B 103 4.936 2.115 -13.770 1.00 31.43 N ATOM 3406 NH2 ARG B 103 5.006 0.851 -15.692 1.00 52.23 N ATOM 0 H ARG B 103 11.572 2.453 -12.450 1.00 44.12 H new ATOM 0 HA ARG B 103 10.581 2.773 -14.409 1.00 21.51 H new ATOM 0 HB2 ARG B 103 8.150 3.402 -12.680 1.00 12.44 H new ATOM 0 HB3 ARG B 103 8.118 2.841 -14.340 1.00 12.44 H new ATOM 0 HG2 ARG B 103 9.246 0.711 -13.607 1.00 43.32 H new ATOM 0 HG3 ARG B 103 9.176 1.272 -11.948 1.00 43.32 H new ATOM 0 HD2 ARG B 103 7.302 -0.176 -12.246 1.00 75.23 H new ATOM 0 HD3 ARG B 103 6.662 1.455 -12.190 1.00 75.23 H new ATOM 0 HE ARG B 103 7.060 -0.110 -14.717 1.00 74.54 H new ATOM 0 HH11 ARG B 103 5.329 2.363 -12.862 1.00 31.43 H new ATOM 0 HH12 ARG B 103 4.094 2.582 -14.106 1.00 31.43 H new ATOM 0 HH21 ARG B 103 5.450 0.130 -16.260 1.00 52.23 H new ATOM 0 HH22 ARG B 103 4.164 1.318 -16.028 1.00 52.23 H new ATOM 3420 N GLY B 104 11.121 5.527 -13.867 1.00 64.10 N ATOM 3421 CA GLY B 104 11.248 6.893 -14.354 1.00 23.44 C ATOM 3422 C GLY B 104 10.882 7.931 -13.305 1.00 64.34 C ATOM 3423 O GLY B 104 11.049 9.130 -13.523 1.00 73.31 O ATOM 0 H GLY B 104 11.921 5.192 -13.330 1.00 64.10 H new ATOM 0 HA2 GLY B 104 12.273 7.062 -14.683 1.00 23.44 H new ATOM 0 HA3 GLY B 104 10.607 7.024 -15.226 1.00 23.44 H new ATOM 3427 N ARG B 105 10.388 7.481 -12.174 1.00 44.42 N ATOM 3428 CA ARG B 105 10.018 8.377 -11.100 1.00 65.14 C ATOM 3429 C ARG B 105 10.974 8.220 -9.955 1.00 13.54 C ATOM 3430 O ARG B 105 11.309 7.107 -9.573 1.00 44.51 O ATOM 3431 CB ARG B 105 8.594 8.099 -10.624 1.00 23.02 C ATOM 3432 CG ARG B 105 7.566 8.268 -11.707 1.00 45.12 C ATOM 3433 CD ARG B 105 6.165 7.950 -11.231 1.00 71.30 C ATOM 3434 NE ARG B 105 5.657 8.859 -10.207 1.00 3.21 N ATOM 3435 CZ ARG B 105 4.347 9.169 -10.042 1.00 22.31 C ATOM 3436 NH1 ARG B 105 3.411 8.681 -10.868 1.00 11.41 N ATOM 3437 NH2 ARG B 105 3.983 9.963 -9.057 1.00 30.43 N ATOM 0 H ARG B 105 10.232 6.493 -11.973 1.00 44.42 H new ATOM 0 HA ARG B 105 10.062 9.399 -11.476 1.00 65.14 H new ATOM 0 HB2 ARG B 105 8.539 7.082 -10.235 1.00 23.02 H new ATOM 0 HB3 ARG B 105 8.356 8.769 -9.798 1.00 23.02 H new ATOM 0 HG2 ARG B 105 7.597 9.293 -12.076 1.00 45.12 H new ATOM 0 HG3 ARG B 105 7.817 7.619 -12.546 1.00 45.12 H new ATOM 0 HD2 ARG B 105 5.490 7.971 -12.086 1.00 71.30 H new ATOM 0 HD3 ARG B 105 6.149 6.933 -10.838 1.00 71.30 H new ATOM 0 HE ARG B 105 6.332 9.289 -9.574 1.00 3.21 H new ATOM 0 HH11 ARG B 105 3.679 8.066 -11.636 1.00 11.41 H new ATOM 0 HH12 ARG B 105 2.430 8.925 -10.729 1.00 11.41 H new ATOM 0 HH21 ARG B 105 4.685 10.342 -8.422 1.00 30.43 H new ATOM 0 HH22 ARG B 105 2.999 10.199 -8.929 1.00 30.43 H new ATOM 3451 N THR B 106 11.433 9.311 -9.432 1.00 0.01 N ATOM 3452 CA THR B 106 12.316 9.278 -8.307 1.00 24.23 C ATOM 3453 C THR B 106 11.488 8.954 -7.065 1.00 23.50 C ATOM 3454 O THR B 106 10.531 9.662 -6.754 1.00 72.24 O ATOM 3455 CB THR B 106 12.983 10.641 -8.142 1.00 12.32 C ATOM 3456 OG1 THR B 106 13.486 11.064 -9.427 1.00 34.32 O ATOM 3457 CG2 THR B 106 14.143 10.549 -7.169 1.00 65.44 C ATOM 0 H THR B 106 11.209 10.247 -9.769 1.00 0.01 H new ATOM 0 HA THR B 106 13.090 8.524 -8.451 1.00 24.23 H new ATOM 0 HB THR B 106 12.254 11.354 -7.757 1.00 12.32 H new ATOM 0 HG1 THR B 106 13.916 11.940 -9.338 1.00 34.32 H new ATOM 0 HG21 THR B 106 14.607 11.529 -7.063 1.00 65.44 H new ATOM 0 HG22 THR B 106 13.778 10.213 -6.198 1.00 65.44 H new ATOM 0 HG23 THR B 106 14.878 9.838 -7.546 1.00 65.44 H new ATOM 3465 N ILE B 107 11.815 7.879 -6.410 1.00 45.12 N ATOM 3466 CA ILE B 107 11.074 7.456 -5.245 1.00 11.22 C ATOM 3467 C ILE B 107 11.799 7.772 -3.961 1.00 11.43 C ATOM 3468 O ILE B 107 12.947 8.231 -3.964 1.00 31.45 O ATOM 3469 CB ILE B 107 10.754 5.939 -5.276 1.00 74.22 C ATOM 3470 CG1 ILE B 107 12.053 5.109 -5.345 1.00 54.00 C ATOM 3471 CG2 ILE B 107 9.825 5.618 -6.446 1.00 43.53 C ATOM 3472 CD1 ILE B 107 11.843 3.612 -5.257 1.00 72.35 C ATOM 0 H ILE B 107 12.595 7.271 -6.660 1.00 45.12 H new ATOM 0 HA ILE B 107 10.141 8.019 -5.274 1.00 11.22 H new ATOM 0 HB ILE B 107 10.240 5.670 -4.353 1.00 74.22 H new ATOM 0 HG12 ILE B 107 12.567 5.337 -6.279 1.00 54.00 H new ATOM 0 HG13 ILE B 107 12.712 5.420 -4.534 1.00 54.00 H new ATOM 0 HG21 ILE B 107 9.608 4.550 -6.456 1.00 43.53 H new ATOM 0 HG22 ILE B 107 8.895 6.176 -6.336 1.00 43.53 H new ATOM 0 HG23 ILE B 107 10.308 5.899 -7.382 1.00 43.53 H new ATOM 0 HD11 ILE B 107 12.807 3.105 -5.313 1.00 72.35 H new ATOM 0 HD12 ILE B 107 11.359 3.367 -4.311 1.00 72.35 H new ATOM 0 HD13 ILE B 107 11.212 3.284 -6.083 1.00 72.35 H new ATOM 3484 N LYS B 108 11.104 7.559 -2.876 1.00 74.43 N ATOM 3485 CA LYS B 108 11.619 7.776 -1.549 1.00 71.41 C ATOM 3486 C LYS B 108 11.433 6.499 -0.762 1.00 1.52 C ATOM 3487 O LYS B 108 10.328 5.978 -0.705 1.00 62.33 O ATOM 3488 CB LYS B 108 10.858 8.930 -0.872 1.00 23.51 C ATOM 3489 CG LYS B 108 11.289 9.244 0.564 1.00 60.11 C ATOM 3490 CD LYS B 108 12.758 9.629 0.647 1.00 24.31 C ATOM 3491 CE LYS B 108 13.148 10.019 2.060 1.00 20.25 C ATOM 3492 NZ LYS B 108 14.559 10.439 2.154 1.00 25.15 N ATOM 0 H LYS B 108 10.141 7.222 -2.890 1.00 74.43 H new ATOM 0 HA LYS B 108 12.675 8.042 -1.591 1.00 71.41 H new ATOM 0 HB2 LYS B 108 10.982 9.829 -1.476 1.00 23.51 H new ATOM 0 HB3 LYS B 108 9.795 8.691 -0.871 1.00 23.51 H new ATOM 0 HG2 LYS B 108 10.678 10.057 0.956 1.00 60.11 H new ATOM 0 HG3 LYS B 108 11.106 8.375 1.196 1.00 60.11 H new ATOM 0 HD2 LYS B 108 13.374 8.793 0.315 1.00 24.31 H new ATOM 0 HD3 LYS B 108 12.957 10.460 -0.030 1.00 24.31 H new ATOM 0 HE2 LYS B 108 12.506 10.831 2.401 1.00 20.25 H new ATOM 0 HE3 LYS B 108 12.977 9.175 2.728 1.00 20.25 H new ATOM 0 HZ1 LYS B 108 14.660 11.151 2.906 1.00 25.15 H new ATOM 0 HZ2 LYS B 108 15.153 9.614 2.376 1.00 25.15 H new ATOM 0 HZ3 LYS B 108 14.860 10.849 1.247 1.00 25.15 H new ATOM 3506 N VAL B 109 12.488 5.997 -0.177 1.00 35.22 N ATOM 3507 CA VAL B 109 12.427 4.762 0.580 1.00 54.30 C ATOM 3508 C VAL B 109 12.789 5.054 2.031 1.00 31.11 C ATOM 3509 O VAL B 109 13.864 5.563 2.307 1.00 42.42 O ATOM 3510 CB VAL B 109 13.417 3.697 0.013 1.00 22.14 C ATOM 3511 CG1 VAL B 109 13.297 2.394 0.768 1.00 23.33 C ATOM 3512 CG2 VAL B 109 13.189 3.461 -1.462 1.00 74.03 C ATOM 0 H VAL B 109 13.413 6.426 -0.208 1.00 35.22 H new ATOM 0 HA VAL B 109 11.416 4.362 0.506 1.00 54.30 H new ATOM 0 HB VAL B 109 14.425 4.089 0.145 1.00 22.14 H new ATOM 0 HG11 VAL B 109 13.997 1.668 0.354 1.00 23.33 H new ATOM 0 HG12 VAL B 109 13.527 2.561 1.820 1.00 23.33 H new ATOM 0 HG13 VAL B 109 12.280 2.012 0.675 1.00 23.33 H new ATOM 0 HG21 VAL B 109 13.895 2.714 -1.824 1.00 74.03 H new ATOM 0 HG22 VAL B 109 12.171 3.105 -1.620 1.00 74.03 H new ATOM 0 HG23 VAL B 109 13.336 4.394 -2.007 1.00 74.03 H new ATOM 3522 N LEU B 110 11.904 4.743 2.941 1.00 44.21 N ATOM 3523 CA LEU B 110 12.131 4.958 4.359 1.00 43.23 C ATOM 3524 C LEU B 110 12.018 3.643 5.075 1.00 32.15 C ATOM 3525 O LEU B 110 11.237 2.811 4.679 1.00 24.43 O ATOM 3526 CB LEU B 110 11.072 5.909 4.937 1.00 42.23 C ATOM 3527 CG LEU B 110 11.104 7.347 4.473 1.00 52.51 C ATOM 3528 CD1 LEU B 110 9.905 8.102 5.040 1.00 3.33 C ATOM 3529 CD2 LEU B 110 12.401 7.993 4.936 1.00 70.12 C ATOM 0 H LEU B 110 10.997 4.330 2.725 1.00 44.21 H new ATOM 0 HA LEU B 110 13.121 5.393 4.492 1.00 43.23 H new ATOM 0 HB2 LEU B 110 10.089 5.501 4.703 1.00 42.23 H new ATOM 0 HB3 LEU B 110 11.170 5.903 6.023 1.00 42.23 H new ATOM 0 HG LEU B 110 11.053 7.383 3.385 1.00 52.51 H new ATOM 0 HD11 LEU B 110 9.934 9.138 4.702 1.00 3.33 H new ATOM 0 HD12 LEU B 110 8.983 7.633 4.695 1.00 3.33 H new ATOM 0 HD13 LEU B 110 9.940 8.075 6.129 1.00 3.33 H new ATOM 0 HD21 LEU B 110 12.429 9.031 4.604 1.00 70.12 H new ATOM 0 HD22 LEU B 110 12.456 7.959 6.024 1.00 70.12 H new ATOM 0 HD23 LEU B 110 13.248 7.453 4.512 1.00 70.12 H new ATOM 3541 N PRO B 111 12.797 3.422 6.111 1.00 21.51 N ATOM 3542 CA PRO B 111 12.672 2.219 6.925 1.00 75.22 C ATOM 3543 C PRO B 111 11.438 2.336 7.835 1.00 34.23 C ATOM 3544 O PRO B 111 11.245 3.365 8.490 1.00 41.13 O ATOM 3545 CB PRO B 111 13.968 2.221 7.749 1.00 15.12 C ATOM 3546 CG PRO B 111 14.369 3.656 7.832 1.00 1.44 C ATOM 3547 CD PRO B 111 13.876 4.314 6.578 1.00 11.24 C ATOM 0 HA PRO B 111 12.543 1.304 6.347 1.00 75.22 H new ATOM 0 HB2 PRO B 111 13.806 1.798 8.741 1.00 15.12 H new ATOM 0 HB3 PRO B 111 14.742 1.622 7.269 1.00 15.12 H new ATOM 0 HG2 PRO B 111 13.935 4.129 8.713 1.00 1.44 H new ATOM 0 HG3 PRO B 111 15.451 3.751 7.919 1.00 1.44 H new ATOM 0 HD2 PRO B 111 13.506 5.320 6.774 1.00 11.24 H new ATOM 0 HD3 PRO B 111 14.669 4.405 5.836 1.00 11.24 H new ATOM 3555 N LYS B 112 10.595 1.321 7.864 1.00 62.41 N ATOM 3556 CA LYS B 112 9.406 1.394 8.679 1.00 1.44 C ATOM 3557 C LYS B 112 9.656 0.962 10.093 1.00 25.24 C ATOM 3558 O LYS B 112 10.371 -0.006 10.346 1.00 23.15 O ATOM 3559 CB LYS B 112 8.200 0.639 8.071 1.00 12.53 C ATOM 3560 CG LYS B 112 6.986 0.573 9.026 1.00 52.35 C ATOM 3561 CD LYS B 112 5.684 0.284 8.312 1.00 43.44 C ATOM 3562 CE LYS B 112 5.661 -1.031 7.571 1.00 64.12 C ATOM 3563 NZ LYS B 112 5.538 -2.231 8.459 1.00 44.45 N ATOM 0 H LYS B 112 10.711 0.453 7.341 1.00 62.41 H new ATOM 0 HA LYS B 112 9.136 2.450 8.698 1.00 1.44 H new ATOM 0 HB2 LYS B 112 7.901 1.129 7.145 1.00 12.53 H new ATOM 0 HB3 LYS B 112 8.506 -0.374 7.811 1.00 12.53 H new ATOM 0 HG2 LYS B 112 7.162 -0.199 9.775 1.00 52.35 H new ATOM 0 HG3 LYS B 112 6.899 1.520 9.559 1.00 52.35 H new ATOM 0 HD2 LYS B 112 4.874 0.291 9.041 1.00 43.44 H new ATOM 0 HD3 LYS B 112 5.484 1.089 7.605 1.00 43.44 H new ATOM 0 HE2 LYS B 112 4.828 -1.025 6.868 1.00 64.12 H new ATOM 0 HE3 LYS B 112 6.574 -1.120 6.982 1.00 64.12 H new ATOM 0 HZ1 LYS B 112 5.376 -3.078 7.878 1.00 44.45 H new ATOM 0 HZ2 LYS B 112 6.414 -2.349 9.006 1.00 44.45 H new ATOM 0 HZ3 LYS B 112 4.738 -2.100 9.110 1.00 44.45 H new